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The 2nd International Online Conference on Crystals
Part of the International Electronic Conference on Crystals series
10–20 Nov 2020
Crystal Engineering, Biomolecular Crystals, Crystalline Materials, Liquid Crystals, Crystalline Minerals and Biominerals, Small and Wide Angle X Ray Scattering Applied to Nano and Biomaterials, Software or Tools to Deal with Crystal and Crystallographic Issues and Teaching Crystallography, Structure of Cholinesterases, Phase Transformations In Crystalline Materials
- Go to the Sessions
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- A. Liquid Crystals
- B. Crystalline Materials
- C. Crystal Engineering
- D. Biomolecular Crystals
- E. Crystalline Minerals and Biominerals
- F. Phase Transformations in Crystalline Materials
- G. Small and Wide Angle X-ray Scattering Applied to Nano- and Biomaterials
- H. Software/Tools to Deal with Crystal and Crystallographic Issues & Teaching Crystallography
- I. Structure of Cholinesterases
- Event Details
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- The 2nd International Online Conference on Crystals Best Paper Award -Winners Annoucement
- Welcome from the Chairs
- Conference Chairs
- Session Chairs
- Sessions
- IOCC2020 Live Sessions Programs
- Event Calls
- Conference Speakers
- List of Keynotes & Videos from Invited Speakers
- Instructions for Authors
- Video Submissions from Authors
- List of Accepted Submissions
- Event Awards
- Sponsors and Partners
- Conference Secretary
- Events in this series
The 2nd International Online Conference on Crystals Best Paper Award -Winners Annoucement
We are pleased to announce the winners of The 2nd International Online Conference on Crystals Best Paper Award, they are :
Sciforum-037926 (The highest score, the authors will receive 500 CHF in total as well as one chance to publish a paper in Crystals free of charge)
Francesco Capitelli, Bujar Dida, Giancarlo Della Ventura, Francesco Baldassarre, Davide Capelli, Giorgio Senesi, Altin Mele, Dritan Siliqi
Functional Nano-Hydroxyapatite for Applications in Conservation of Stony Monuments of Cultural Heritage
Online Available: https://sciforum.net/paper/view/7315
Sciforum-035722 (The second highest score, the authors will receive 500 CHF in total)
Sheetal Sandip Buddhadev , Kevin Garala
Pharmaceutical Co-Crystals – A Review
Online Available: https://sciforum.net/paper/view/7331
Welcome from the Chairs
You are cordially invited to participate in the 2nd International Electronic Conference on Crystals, sponsored by the MDPI open access journal Crystals. This is a new and improved initiative based on the experience from the 1st International Electronic Conference on Crystals (https://sciforum.net/conference/IECC_2018) which affords the opportunity for researchers engaged in the study of crystalline materials to present their research and exchange ideas with their colleagues. We take full advantage of the Internet, removing the need to travel and commit participation expenses.
The second conference will be organized around the following topics and related themes. We would be open to future meetings or subject areas having a thematic topic of importance.
- Liquid Crystals
- Crystalline Materials
- Crystal Engineering
- Biomolecular Crystals
- Crystalline Minerals and Biominerals
- Phase Transformations in Crystalline Materials
- Small and Wide Angle X-ray Scattering Applied to Nano- and Biomaterials
- Software/Tools to Deal with Crystal and Crystallographic Issues & Teaching Crystallography
- Structure of Cholinesterases
This is a virtual conference held at www.sciforum.net/. Sciforum.net is a platform developed and sponsored by MDPI to organize electronic conferences, and to provide our community with the technical support for hosting our digital conferences.
The participation is free of charge for both authors and attendees. Accepted papers will be gathered in the Proceedings of the conference. Selected extended versions of the papers can be published in the journal Crystals with a discount of 20% on the Article Processing Charge (ISSN ISSN 2073-4352; Impact Factor: 2.404).
I am looking forward to seeing your participation in these exciting discussions, hearing new ideas and perspectives in the field and welcoming all participants to the online conference.
Prof. Dr. Abel Moreno
Prof. Dr. Dritan Siliqi
Session I: Structure of Cholinesterases Session Introduction
Session Chaired by Prof. Zoran Radic
Session F: Phase Transformations in Crystalline Materials Session Introduction
Session Chaired by Prof. Dr. Cayron Cyril
Prof. Dr. Abel Moreno |
Professor Moreno was awarded a B.Sc. in chemistry by the Autonomous University of Puebla (Mexico) in 1990; a Ph.D. in chemistry was awarded by the University of Granada (Spain) in 1995. Currently, he is Professor of Biological and Physical Chemistry (category "Titular C") at the Institute of Chemistry of the National Autonomous University of Mexico (UNAM) in Mexico City. He is a distinguished member of the National System of Researchers of Mexico (SNI) level 3 (the highest in the categories for Mexican scientists). He is also a member of the Mexican Academy of Sciences, New York Academy of Sciences and of the Mexican and American Chemical Societies. Prof. Moreno has been a visiting professor in a sabbatical year at the University of Cambridge (England, 2009) and at the University of Strasbourg (France, 2003-2004). He has further been a visiting scientist at the University of Luebeck and at the Institute of Crystal Growth (IKZ) Berlin (Germany, February 2004), at the University of Tohoku (Japan, Autumn 2003), at the Imperial College London (United Kingdom in 1999 and 2000), and at the University of California Riverside (USA, 1997). He has published more than 108 papers in prestigious international journals. He is the author of seven books regarding his specialty in biological protein crystallography, crystallogenesis, crystallochemistry, and in biomineralization processes and a further 16 book chapters. Prof. Moreno was the former President of the International Organization for Biological Crystallization from 2010 to 2012 (IOBCr), President of the Mexican Society of Crystallography from 2018 to 2019. He is also a member of the international advisory board of the Commission of Crystal Growth and Characterization of Materials of the International Union of Crystallography; a member of the Mexican Society of Chemistry, Crystallography and a regular member of the American Chemical Society, New York Academy of Sciences and the Mexican Academy of Sciences. Professor Moreno is an expert in protein crystallization, crystal growth methods, crystallochemistry, biomineralization, and structural research using x-ray diffraction, scanning/transmission electron microscopy, and atomic force microscopy. His work and research contributions have been applied to biological chemistry and biomedical sciences. Prof. Moreno is a leading scientist in protein crystallogenesis, crystal growth, protein crystallochemistry, and biomineralization processes in Latin America. |
Prof. Dr. Dritan Siliqi |
Dr. Dritan Siliqi is staff scientist at Institute of Crystallography, National Council for Research (IC-CNR) Bari, Italy. Since 1992, he works as a staff scientist at the IC-CNR, initially as close collaborator of Prof Carmelo Giacovazzo, a worldwide known crystallographer, spending a part of is carrier on developing of the phasing techniques to solve the macromolecules structure from X-ray and neutron diffraction data, techniques for improving the electron density maps, for an automatic model building, using data extrapolations beyond the observed resolution (FreeLunch procedure) and a novel difference Fourier synthesis (DEDM) and computational tools for H/D determination in protein structure from neutron data. He is co-author of a software package for a global phasing for proteins: ILMILIONE [Burla et al., J. Appl. Cryst. (2007), 40, 609-613 with more than 600 citations]. Currently as the head of the Bio-crystallization Lab, Dr. Siliqi is involved in several projects related to the studies, combining different techniques as macromolecular crystallography (MX), Small Angle X-ray Scattering (SAXS), and Dynamic Simulations (DM), devoted to structural insights of proteins involved at: ribosomopathy diseases (f.es. Shwachman Diamond Syndrome) and intracellular region of the human magnesium transport mediator CNNM4, Interdomain conformational flexibility of UGGT (the eukaryotic glycoprotein secretion checkpoint). Dr. Siliqi, as a researcher in XMI@LAB of IC-CNR is involved on using X-ray scanning (small/wide angle) microscopies for the study of microcalcifications in abdominal aortic and popliteal artery aneurysms Effects of processing on structural, mechanical and biological properties of collagen-based substrates for regenerative medicine; Selectively Probes HA Content in Gelatin/Hydroxyapatite Scaffolds for Osteochondral Defect Repair; the study of human bone sections, obtaining detailed maps of bone structure, in healthy and pathologic (dwarfism, Paget’s, Osteoratritis) samples. Structural/morphological characterization of nanostructured bio- materials, in particular by means of small and wide angle x-ray scattering (SAXS and WAXS), even in grazing incidence geometry (GISAXS and GIWAXS), and X-ray reflectivity. He is the main scientist developer for package SUNBIM [Siliqi et al., J. Appl. Cryst. (2016). 49, 1107–1114 6], a package to deal with these issues.During his carrier as staff scientist at IC-CNR, he was researcher visitor on several laboratories/Institutions as: Protein Crystallography Station at Los Alamos National Laboratory (LANL), Los Alamos (NW), USA; Paul Scherrer Institute (PSI) Villigen, Switzerland; European Molecular Biology Laboratory (EMBL), Hamburg, Germany, Institut für Physik der kondensierten Materie. Lehrstuhl für Kristallographie und Strukturphysik Erlangen, Germany; Diamond Light Source Ltd. Chilton, Didcot, Oxfordshire,United Kingdom; ISIS - Neutron and Muon Source Science and Technology Facilities Council Rutherford Appleton Laboratory, Didcot, Oxfordshire, United Kingdom.Dr. Siliqi is member of Italian Association of Crystallography (AIC), European Crystallographic Association (EAC) and individual member of International Union of Crystallography (IUCr). He was the promoter of the he was the promoter for the foundation of the Association of Albanian Crystallographers (AAC), as the first president of it.His research activity is presented in about 130 scientific publications and several communications and participations in meetings/conferences/congresses |
Conference Chair
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Institute of Chemistry, Universidad Nacional Autonoma de Mexico (UNAM)
Professor Moreno was awarded a B.Sc. in chemistry by the Autonomous University of Puebla (Mexico) in 1990; a Ph.D. in chemistry was awarded by the University of Granada (Spain) in 1995. Currently, he is Professor of Biological and Physical Chemistry (category "Titular C") at the Institute of Chemistry of the National Autonomous University of Mexico (UNAM) in Mexico City. He is a distinguished member of the National System of Researchers of Mexico (SNI) level 3 (the highest in the categories for Mexican scientists). He is also a member of the Mexican Academy of Sciences, New York Academy of Sciences and of the Mexican and American Chemical Societies. Prof. Moreno has been a visiting professor in a sabbatical year at the University of Cambridge (England, 2009) and at the University of Strasbourg (France, 2003-2004). He has further been a visiting scientist at the University of Luebeck and at the Institute of Crystal Growth (IKZ) Berlin (Germany, February 2004), at the University of Tohoku (Japan, Autumn 2003), at the Imperial College London (United Kingdom in 1999 and 2000), and at the University of California Riverside (USA, 1997). He has published more than 108 papers in prestigious international journals. He is the author of seven books regarding his specialty in biological protein crystallography, crystallogenesis, crystallochemistry, and in biomineralization processes and a further 16 book chapters. Prof. Moreno was the former President of the International Organization for Biological Crystallization from 2010 to 2012 (IOBCr), President of the Mexican Society of Crystallography from 2018 to 2019. He is also a member of the international advisory board of the Commission of Crystal Growth and Characterization of Materials of the International Union of Crystallography; a member of the Mexican Society of Chemistry, Crystallography and a regular member of the American Chemical Society, New York Academy of Sciences and the Mexican Academy of Sciences. Professor Moreno is an expert in protein crystallization, crystal growth methods, crystallochemistry, biominerali
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Institute of Crystallography- CNR, Via G. Amendola, 122/O 70126 Bari, Italy
Dr. Dritan Siliqi is staff scientist at Institute of Crystallography, National Council for Research (IC-CNR) Bari, Italy. Since 1992, he works as a staff scientist at the IC-CNR, initially as close collaborator of Prof Carmelo Giacovazzo, a worldwide known crystallographer, spending a part of is carrier on developing of the phasing techniques to solve the macromolecules structure from X-ray and neutron diffraction data, techniques for improving the electron density maps, for an automatic model building, using data extrapolations beyond the observed resolution (FreeLunch procedure) and a novel difference Fourier synthesis (DEDM) and computational tools for H/D determination in protein structure from neutron data. He is co-author of a software package for a global phasing for proteins: ILMILIONE [Burla et al., J. Appl. Cryst. (2007), 40, 609-613 with more than 600 citations] Currently as the head of the Bio-crystallization Lab, Dr. Siliqi is involved in several projects related to the studies, combining different techniques as macromolecular crystallography (MX), Small Angle X-ray Scattering (SAXS), and Dynamic Simulations (DM), devoted to structural insights of proteins involved at: ribosomopathy diseases (f.es. Shwachman Diamond Syndrome) and intracellular region of the human magnesium transport mediator CNNM4, Interdomain conformational flexibility of UGGT (the eukaryotic glycoprotein secretion checkpoint). Dr. Siliqi, as a researcher in XMI@LAB of IC-CNR is involved on using X-ray scanning (small/wide angle) microscopies for the study of microcalcifications in abdominal aortic and popliteal artery aneurysms Effects of processing on structural, mechanical and biological properties of collagen-based substrates for regenerative medicine; Selectively Probes HA Content in Gelatin/Hydroxyapatite Scaffolds for Osteochondral Defect Repair; the study of human bone sections, obtaining detailed maps of bone structure, in healthy and pathologic (dwarfism, Paget’s, Osteoratritis) samples. Structural/morphological characterization of nanostructured bio- materials, i
Conference Committees
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Dipartimento SIMAU, Università Politecnica delle Marche, Ancona, Italy
Francesco Simoni is Guest Researcher (Retired Full Professor) at Università Politecnica delle Marche in Ancona, Italy and Associated Researcher at Institute of Applied Sciences and Intelligent Systems of CNR, Italy. His scientific activity spans from nonlinear optics of liquid crystals and photosensitive polymeric materials to holographic technologies, optical micromanipulation, organic microlasers, optofluidics. He is author of more 200 articles on international journals and books and 5 patents; he is single author of a books on the nonlinear optical properties of liquid crystalline materials and a text book on matter physics. He is Fellow of the Optical Society of America.
liquid crystals; nonlinear optics; optofluidics; optical manipulation; holographic technologies; composite materials
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Faculty of Natural Sciences and Mathematics, University of Maribor, Koroska 160, 2000 Maribor, Slovenia
Samo Kralj was awarded BS (1982), MS (1988), and Ph.D. (1991) in physic from the University in Ljubljana, Slovenia. He worked as a Postdoctoral Fellow at the Department of Mathematics, University of Southampton, UK (1992), and at the Solid State Department, Jožef Stefan Institute, Slovenia (1993-1996). In the period 1999-2013 he spent several months at the Department of Mathematics, University of Pavia, Italy. In Fall 2013 he was Visiting Professor at the Isaak Newton Institute for Mathematical Sciences, University of Cambridge, UK. In 2001 he was awarded the title Full Professor of Physics from the University of Maribor, Slovenia. In 1999 he established and is heading since then the Laboratory Physics of Complex Systems and Postgraduate study of Physics at the Faculty of Natural Sciences and Mathematics (then the Faculty of Education), University of Maribor. Currently, he is the head of the Laboratory Physics of Complex Systems, the head of Ph.D. study of Physics, and vice-head of the Department of Physics, Faculty of Natural Sciences and Mathematics, University of Maribor. He is also a member of the Jožef Stefan International Postgraduate School and Senior Research Advisor at the Solid State Department, Jožef Stefan Institute, Ljubljana, Slovenia. His research interest includes soft matter physics modeling, topological defects, and glassy systems. He was the main organizer and general chair of the 11th European Conference on Liquid Crystals (2011, Maribor, Slovenia) and of the ESF exploratory workshop “Defect-assembled soft matter for nanoscience and biotechnology” (2013, Rogaška Slatina, Slovenia). He was also co-chair of the International Conference on Liquid Crystals, “Liquid Crystalline Polymers and Nanosystems” (2019, Kottayam, India). He is also very active in science popularization activities as a lecturer, writer of papers and books, and cartoonist for which he obtained several national awards. He is also a piano player in the PhD Big Bang Band of the Faculty of Natural Sciences and Mathematics, University of Maribor.
frustrated liquid crystal patterns; nanoparticle self organization; soft nano-composites; topological defects; interfacial phenomena
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Professor, Foshan University, jiang-wan-yi-lu, Chancheng, Foshan, Guangdong, P.R. China, 528000,
Emeritus Professor, Hong Kong University of Science and Technology
Professor Vladimir G. Chigrinov is Professor of Hong Kong University of Science and Technology since 1999. He is an Expert in Flat Panel Technology in Russia, recognized by the World Techlonogy Evaluation Centre, 1994, and SID fellow since 2008. He is an author of 6 books, 32 reviews and book chapters, about 309 journal papers, more than 661 Conference presentations, and 112 patents and patent applications include 34 US patent in the field of liquid crystals since 1974. He got Excellent Research Award in the Invention & Innovation Award 2014 held at the Malaysia Technology Expo(MTE) 2014, which was hosted in Kuala Lumpur, Malaysia, on 20-22 Feb 2014. He got A Slottow Owaki Prize of SID in 2018 http://www.ee.ust.hk/ece.php/enews/detail/660 . He is 2019 Distinguished Fellow of IETI (International Engineering and Technology Institute). http://www.ieti.net/news/detail.aspx?id=184 http://www.ieti.net/membership/Fellows.aspx . He is an active member of EU Academy of Science (EUAS) since November 2019.
computer modeling of various electrooptical effects in Liquid Crystals (LC); photo-aligning technique for LCD applications; LC devices in fiber optics; fast multistable ferroelectric liquid crystal devices
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Department of Inorganic Chemistry, Universidade de Santiago de Compostela, Campus Vida, E-15782. Santiago de Compostela, Spain
Ana M. García Deibe was awarded a B.Sc. and Ms. Sc. in Chemistry by the University of Santiago de Compostela (Spain). She completed her PhD in 1992 at the same university. During this time, she did several predoctoral stays at University of Manchester (UK) under the supervision of Prof. C.A. McAuliffe. In 1992 was hired for first time by the University of Santiago de Compostela to teach chemistry in Lugo (Spain). She was postdoctoral fellow of the Xunta de Galicia at the University of Manchester in 1993, and at the University of Sao Paulo (Brazil) 1997, where under the supervision of Prof. E.E. Castellano was working in the field of single crystal X-ray diffraction. She was promoted to Associate Professor in 1998, and she moved to Faculty of Chemistry in Santiago de Compostela in 2008. Her spanish habilitation to full Professor was obtained in 2015. Since 2016 she is board member of the Specialist Group of Inorganic Chemistry (GEQI) of the Spanish Royal Society of Chemistry (RSEQ). She is guest editor of two special issues of the journal Crystals, and member of the Editorial Board since 2018 in the Crystal Engineering Section. She is author of more than 100 scientific papers in peer-reviewed international journals. Many of them have an impact index that places them in the first quintile for the fields "Inorganic and Nuclear Chemistry", "Chemistry, Multidisciplinary" or "Crystallography". More than 2200 citations lead to a h-index of 29 (WOS) or 30 (Scopus). These articles are mostly in the fields of Coordination and Supramolecular Chemistry.
supramolecular chemistry; coordination chemistry; single crystal X-ray crystallography; H-bonding; chirality; fluorescence
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Institute of Nanoscience and Nanotechnology, NCSR "Demokritos", Athens, Greece
Dr. Catherine Raptopoulou holds a Chemistry degree from the Aristotle University of Thessaloniki (1987) and completed her PhD in Inorganic Chemistry at the same university (1992) on biomimetic complexes of the manganese center in photosystem II and molybdenum-copper antagonism in biological systems. She worked as postdoctoral fellow at the Laboratory of Crystallography, Institute of Materials Science, NCSR "Demokritos" (1992-1999) and as Collaborating Researcher at the same lab (2000-2004). Since 2005 is a research scientist at the IMS and since 2013 is Director of Research at the INN. Her research focuses on the synthesis and study of coordination compounds with relevance to various fields including bioinorganic and materials chemistry, molecular magnetism, structure-properties relationship, reactivity of chemical systems and crystal engineering. Her research expertise covers synthetic techniques under ambient and inert atmosphere, and single crystal X-ray crystallography. She has been involved in 9 Ph.D. theses (3 as supervisor) and 2 M.D. thesis. She has published 554 papers in international peer-reviewed scientific journals (May 2020), 16 publications in peer-reviewed Congress Proceedings, 3 book chapters and numerous presentations (oral and poster) in conferences. She has more than 10800 hetero-citations and h-index of 64 (May 2020). She was member of the Editorial Board of the journal Current Inorganic Chemistry, Bentham Science (2016-2018), and is currently member of the Editorial Board of the journal Crystals – Crystal Engineering Section, MDPI (2018-present). She was the Guest Editor of the Special Issue “The Impact of Crystallography on Inorganic Chemistry in Greece” Polyhedron 2009 vol.28(15) and is currently Co-Guest Editor of the Special Issue “Chemistry and properties of heterometallic 3d/4f metal complexes” Inorganica Chimica Acta, 2020, and Guest Editor of the Special Issue “Advanced Coordination Polymers” Materials, 2021.
coordination chemistry; X-ray crystallography; molecular magnetic materials; structure–properties relationship; reactivity of coordination clusters
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Department of Pharmaceutics, University of Minnesota, Minneapolis, MN 55455, USA
Dr. Changquan Calvin Sun is Professor of Pharmaceutics and Director of Graduate Studies at the Department of Pharmaceutics, University of Minnesota (UMN). After receiving his Ph.D. in Pharmaceutics from UMN in 2000, he worked in the pharmaceutical industry for 8 years before joining the UMN faculty. Dr. Sun’s research focuses on formulation development of tablet products through appropriate application of materials science and engineering principles, including 1) crystal and particle engineering for superior powder flow and compaction properties; 2) solid state chemistry and engineering, and 3) pharmaceutical unit operations. Dr. Sun is an expert in the areas of solid-state science, tablet formulation design, and powder technology. He has published over 180 peer-reviewed papers in these areas with more than 7,100 citations (H-index of 44). Dr. Sun currently serves on the editorial advisory boards for J. Pharm. Sci., Int. J. Pharm., and Mol. Pharmaceutics. He is a member of Expert Committee in Physical Analysis, United States Pharmacopeia since 2010 and a Chair of the Powders sub-committee since 2015. Dr. Sun is an AAPS Fellow and a Fellow of Royal Society of Chemistry. He has received a number of awards, including the 2019 Ralph Shangraw Memorial Award by International Pharmaceutical Excipient Council (IPEC) for his outstanding research contributions in the study of excipients or excipient-related technology over a number of years.
formulation; solid-state chemistry; Powder technology; crystal engineering; materials science and engineering; drug solubilization; mechanical properties
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Structural Chemistry Research Group and X-ray Diffraction Laboratory, Chemistry Department, "Sapienza" University of Rome, Rome, Italy
2001 to present: Associate Professor of General and inorganic chemistry at the Faculty of Mathematical, Physical and Life Sciences of "Sapienza" University of Rome. 1981-2000: Academic researcher. 1980-1: Winner of a scholarship in Chemistry of the British Council at the Chemical Crystallography Laboratory in Oxford (Supervisor: Prof. C. K. Prout, the late; Director Prof. D. C Hodgkin, the late). 1978-80: Fellow of the Accademia Nazionale dei Lincei - Fondazione Guido Donegani (Supervisor: Prof. A. Vaciago, the late). Research scientist at the Structural Chemistry Research Group of the Hungarian Academy of Sciences (Budapest, 1983, 1986 and 1987) for chemical applications of gas electron diffraction. As president of the teaching committee of the Italian Crystallographic Association (AIC) he has organized the annual school of Crystallography from 1994 to 1996 and edited the proceedings in three volumes. In the period 2003-2005 he served as secretary of AIC. Research unit manager (PRIN 1996 and 1997). Since 2007 he is responsible for the X-ray diffraction (XRD) laboratory of the Chemistry Department of "Sapienza" University of Rome. Member of the editorial board of the Journal of Chemistry, the Dataset Papers in Chemistry, the Journal of Crystallography, AIMS Materials Science and Crystals. Guest editor of two special issues of Crystals (2019 and 2020) and one special issue of Frontiers in Chemistry (2020). Author or coauthor of some 130 scientific papers in the field of X-ray crystallography, gas electron diffraction, high-level quantum chemical calculations of molecular interactions and a book of Chemistry at university level. He teaches General and Inorganic Chemistry (bachelor degree in Chemistry) and Structural Chemistry (master degree in Chemistry). The research of Portalone group lies in the field of supramolecular chemistry and focuses on the design (exploiting molecular recognition through hydrogen and halogen bonds), solid-state synthesis and structure determination of binary/ternary cocrystals of canonical and epigenetic DNA/RNA nucleobases via the co
supramolecular chemistry; crystal engineering; canonical and epigenetic nucleobases; hydrogen bond; halogen bond; X-ray single-crystal; X-ray powder diffraction; theoretical calculations; AFM
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Inorganic Chemistry Department, University of Santiago de Compostela, 15782, Santiago de Compostela, Spain
Jesús Sanmartín Matalobos is an Editorial Board Member of Crystals. Since 1997 to date, he is Associate Professor of Inorganic Chemistry at the University of Santiago de Compostela (Spain). He is author of two textbooks for students, and more than 140 scientific papers in peer-reviewed international journals (with more than 2,500 citations from the Web of Science Core collection, h-index= 31). Likewise, he has submitted more than 150 contributions to Scientific Conferences. He has participated in more than 18 research projects and has supervised a number of graduate projects, master thesis and doctoral thesis. His research is focused on different aspects of Coordination and Supramolecular Chemistry, being most of them related to different properties of compounds and their potential application as biocides, fluorescent probes or magnetic materials, among others. In recognition of the quality of its research activity, he has obtained the favourable evaluation of 4 periods of research activity (1992-1998; 1999-2004, 2005-2010, 2011-2016) by the National Commission for Evaluating Research Activity (ANECA) of Spain. Besides, he has obtained the favourable evaluation of 9 step of teaching and researcher curricular excellence by the Agency for the Quality of the University System of Galicia (ACSUG). He has played the role of evaluator of Scientific and Technological Research Projects (ANPCyT) of Argentina, as well as evaluator of teachers of the National Agency for Quality Assessment and Accreditation (ANECA) of Spain. Since 2014 to date, he has held the management positions of Academic Secretary and Exchange Student Coordinator (International and National Mobility) of the Faculty of Chemistry.
supramolecular chemistry; coordination chemistry; single crystal X-ray crystallography; H-bonding; chirality; fluorescence
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Materials Science and Engineering Department, McMaster University, Canada
Dr. Gu Xu is a Professor of Materials Science and Engineering Department at McMaster University, Canada. Dr. Xu received his Ph.D. degree in Physics from University of Pittsburgh, USA in 1987, and his Doc Eng Sci in Materials Science and Engineering from Columbia University, USA, in 1989. He then worked as a postdoc from 1989-1991, and became an Assistant Professor in 1991, Associate Professor in 1996 and Full Professor in 2002, all at McMaster University, Canada.He was elected as a Fellow of the Canadian Academy of Engineering in 2015. Dr. Xu’s research is focused on Polymer Fuel Cells, Nanostructures and Organic Opto-electronics. Dr. Xu is an author and co-author of over 100 refereed-journal papers (e.g. Science, Advanced Materials, J. Am. Chem. Soc., Phys. Rev. Lett., Adv. Fun. Mat., etc.). His team discovered the origin of the mysterious bi-stability, found in both organic light emitting devices and organic memory devices, in addition to the organic light emitting device degradation mechanism, involving the origin of dark spots as well as intrinsic mode, which led to the lifetime improvement to reach the commercialization threshold. His team also offered the first conclusive evidence of hydrogen saturation in carbon nanotubes, targeted towards automobile fuel cells. He also serves as an Editorial Board Member for Crystals. https://www.eng.mcmaster.ca/materials/people/faculty/gu-xu
crystalline materials; X-ray diffraction methods; electronic organic/polymeric materials/devices; fuel cells
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Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Budapest, Hungary
László Kovács was awarded a PhD degree in physics by the Eötvös Loránd University in Budapest (Hungary) in 1987. He worked as a postdoctoral fellow at the Applied Physics Department of the Universidad Autónoma de Madrid (Spain) between 1988-1990 and the School of MAPS, University of Sussex in Brighton (UK) in 1992-1993. Later he spent several years as a visiting scientist at the Physics Department of the Università di Parma (Italy) and the Universität Osnabrück (Germany). He received his DSc degree from the Hungarian Academy of Sciences in 2002. At present he is with the Wigner Research Centre for Physics in Budapest as a scientific advisor. His scientific interests are focused on experimental crystal physics, in particular electrical and optical characterization of insulating crystals (electrical conductivity and dielectric properties, nonlinear optics, acousto-optics, photorefraction, optical absorption in the UV-VIS-IR region, high resolution FTIR, Raman and luminescence spectroscopies, resonant optical processes etc.). He is involved in studies of intrinsic and extrinsic point defects induced by hydroxyl ions and selected dopants such as transition metals and rare-earth ions in a series of different oxide crystals (e.g. niobates, including lithium niobate, sillenites, germanates, paratellurite, borates etc.). László Kovács is author of more than 150 publications in international journals and co-author of numerous contributions to scientific conferences. He is a member of the Eötvös Loránd Physical Society, the IUCr Hungarian National Committee, and of International Advisory Committees of the EURODIM, ICDIM, and OMEE conference series. He acts as a referee for several international journals, such as Optical Materials, Materials Research Bulletin, Vibrational Spectroscopy, Journal of Luminescence, Crystals, etc. He is a member of the Editorial Board of the MDPI journal Crystals, and Guest Editor of its two Special Issues. He was awarded the Youth Prize of the Hungarian Academy of Sciences and the Zoltán Gyulai Prize of the Eötvös Loránd Physical Society.
optical crystals; spectroscopy; point defects; hydroxyl ions; localized vibrations; rare-earth absorption and luminescence
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School of Chemical and Physical Sciences, Keele University, UK
Dr Jackson obtained his BSc and PhD degrees from University College London, where he also carried out postdoctoral research. He was a postdoctoral researcher at Birkbeck College, University of London, and at Keele University, where he was subsequently appointed Lecturer in Chemistry in 1988. He was appointed to his current post, Reader in Computational Solid State Chemistry, in 2000, and obtained his DSc degree from the University of London in 2003. He has published 150 papers in peer-reviewed journals, and supervised 15 PhD students and 3 postdoctoral research fellows. His research interests are in the application of computer modelling methods to study the structure and properties of optical and nuclear materials. He is a member of the international advisory committee of the EURODIM/ICDIM conference series (on defects in inorganic materials), organising the 1998 conference at Keele University, and helping run the 2008 conference in Aracaju (Brazil), and the 2014 conference in Canterbury (UK). He is a member of the editorial board of the MDPI journal Crystals, and the new journal, Solids.
computer modelling; interatomic potentials; optical materials; defects and dopants
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Institute of General and Ecological Chemistry, Lodz University of Technology, 90-924 Lodz, Poland
I am currently a lecturer in the Chemistry Department at the Lodz University of Technology, Poland where I previously obtained a PhD degree in Chemistry. In 1993, after receiving a Fulbright scholarship I spent 1.5 years at the University at Buffalo, the State University of New York, Hauptman-Woodward Medical Research Institute (formerly Medical Foundation of Buffalo) Buffalo, US and then 2 years as a post-doc at the Institute of Material Science of Barcelona (ICMAB), Spain. I have a multi-disciplinary research background in chemistry and material science. My research interests include single and powder x-ray crystallography, experimental charge density, crystal engineering, polymorphism, medicinal, coordination and solid state chemistry. My scientific achievements consist of over 150 scientific articles and 2 book chapters.
coordination chemistry; solid-state chemistry; medicinal chemistry; x-ray crystallography; solid-state synthesis; crystal engineering; molecular structure; polymorphism
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Assoc. Prof. Qingfeng YAN received his BEng and Master degrees in 1997 and 2000, respectively. He earned his PhD from the Institute of Semiconductors, Chinese Academy of Sciences in 2003. He joined the Department of Chemical & Biomolecular Engineering, National University of Singapore as a research fellow in August 2003. From April 2006, he worked with the School of Materials Science and Engineering, Nanyang Technological University, Singapore and the Department of Materials Science and Engineering, Massachusetts Institute of Technology (MIT), USA as a joint postdoctoral fellow. Dr Yan joined the Department of Chemistry, Tsinghua University in September 2008. His current research interests focus on functional synthetic crystals and materials chemistry.
colloidal self-assembly; block copolymer self-assembly; piezoelectric and ferroelectric single crystals; organic–inorganic hybrid perovskite single crystals; black phosphorus single crystals
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Department of Chemical Engineering, Loughborough University, Leicestershire LE11 3TU, UK
Design of Integrated Crystallization Systems; Industrial Crystallization; Continuous Crystallization; Continuous Pharmaceutical Manufacturing; Mathematical Modelling; Population Balance Modelling; Process Optimization and Control; Green Engineering and Life Cycle Assessment
Dr. Brahim Benyahia is an Associate Professor at the Department of Chemical Engineering, Loughborough University, UK. Currently a member of the EPSRC’s Future Manufacturing Hub for Continuous Manufacturing and Advanced Crystallisation - CMAC HUB as well as ARTICULAR (ARtificial inTelligence for Integrated ICT-enabled pharmaceUticaL mAnufactuRing). He played a key role in the development of the first End-to-End Integrated Continuous Pharmaceutical Manufacturing Platform at MIT, USA (a $65 M Novartis-MIT project). He was the recipient and corecipient of several awards including the MIT’s Outstanding Contribution Award. He has a well-established expertise in Integrated Continuous Pharmaceutical Manufacturing; Plant-Wide Modelling Optimisation and Control as well as Quality-by-Design. Over the last decade, he focussed on model-based and model-free strategies to control crystal size, shape and polymorphic purity and developed high fidelity and effective population balance models and novel optimal control and model predictive control strategies.
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CNR Institute on Membrane Technology, Padua Unit and Department of Chemical Sciences, University of Padua. Via Marzolo, 1 - 35131, Padova, Italy
Dr. G. Saielli is Senior Researcher (Primo Ricercatore) at the Institute on Membrane Technology - National Research Council, Italy (ITM-CNR). His current research is concerned with Ionic Liquid Crystals (ILC), Ionic Liquids (IL) and Liquid Crystals (LC): molecular dynamics simulations and experimental studies and synthesis; DFT prediction of NMR properties of natural substances, organic and organometallic systems. www.chimica.unipd.it/giacomo.saielli www.itm.cnr.it/index.php/en/giacomo-saielli-en GS obtained his Ph.D. in Chemistry in 1999 at the University of Padova; after that he spent two years as post-doc in the Chemistry department of the University of Southampton (UK) until 2001, followed by a post-doc short term at the National Institute for Advanced Industrial Science and Technology (AIST) in Tsukuba, Japan (2003-2004). He was appointed as Research Scientist at CNR-ITM in 2001. Since 2005, GS teaches, as “contract Professor”, several courses in Chemistry and Biotechnology at the University of Padova for Bachelor and Master degree. He is also member of the Faculty Board of the Ph.D. School in Molecular Sciences – Chemical Sciences of the University of Padova. Recent Projects: Principal Investigator of the bilateral agreement CNR-CAS 2017-2019; Principal Investigator of five recent ISCRA Supercomputing Grants at CINECA concerning the computer simulations of ionic liquid crystals. Principal Investigator of a bilateral project CNR-CAS (Chinese Academy of Sciences) 2014-2016. Recent Awards: PIFI (President International Fellowship Initiative) award as a Visiting Researcher, 2017, CAS Institute of Theoretical Physics, Beijing. Twice recipient of the “Journals Grants for International Authors” by the Royal Society of Chemistry (UK) – 2012 and 2015. Twice recipient of the CNR-STM grant: Visiting Scientist at Berkeley National Laboratory (2013) and The SCRIPPS Research Institute (2010). Recent Invited Speaker: COIL-8, International Congress on Ionic Liquids, May 2019, Beijing; SMB2019, Soft Matter and Biophysics Workshop, Beijing, May 2019; GIRDM,
Interests: ionic liquid crystals; ionic liquids; liquid crystals; viologens; density fuctional theory; molecular dynamics simulation; Gay-Berne models; nuclear magnetic resonance
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Università di Roma "Tor Vergata", Dipartimento di Ingegneria Industriale Via del Politecnico 1, I-00133 Roma, Italy
Dr. Giuseppe Prestopino was awarded a Laurea degree in Electronic Engineering, magna cum laude, from University of Rome “Roma Tre” in 2004, and a Ph.D. in Microsystems Engineering from University of Rome “Tor Vergata” in 2009, where he started his academic career. Currently he has a permanent position in the technical staff of “Tor Vergata” University, “Dipartimento di Ingegneria Industriale”. In years 2017-2018 he attained Italian National Academic Qualification as Associate Professor in the scientific disciplinary sectors of Applied Physics and Experimental Physics of Matter. The scientific interests of Giuseppe Prestopino have been mainly focused on the growth and characterization of synthetic single crystal diamond, and on the development of diamond based devices. In particular, he contributed in developing diamond growth reactors based on microwave plasma-enhanced chemical vapor deposition for both intrinsic and boron doped diamond films, and he specialized in numerous characterization techniques like time-resolved photoluminescence, x-ray diffraction, scanning electron microscopy, and many types of electrical measurements. He worked in the design and fabrication of a plethora of diamond based detectors, e.g., diamond detectors for application in hadrontherapy dosimetry, diamond in-vivo dosimeters, diamond based UV position sensitive detectors, microdiamond dosimeters for clinical external beam radiotherapy. Recently, Giuseppe Prestopino broadened his research interests to the field of nanostructured materials, and in particular to the synthesis and characterization of layered double hydroxide films and related composites, exploring new intriguing properties and applications of these exciting materials. Giuseppe Prestopino is author of more than 80 publications in international refereed journals and has been reviewer of IOPscience and AIP Publishing journals. He is guest Editor of two special issues in Crystals, namely "Layered Double Hydroxides" and "2D Materials: From Structures to Functions".
Interests: thin film technology; chemical vapor deposition synthesis; synthetic diamond; self-assembled nanomaterials; layered double hydroxides; electrical and optical properties
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Departments of Bioresource and Mechanical Engineering, McGill University, Montreal, QC H3A 0C3, Canada
Hamid Akbarzadeh is a Canada Research Chair (CRC Tier 2) in metmaterials, an Assistant Professor in the Bioresource Engineering, and an Associate Member in Mechanical Engineering Department of McGill University. exploits Prof. Akbarzadeh exploits fundamentals of solid mechanics, Computational multiscale and multiphysics simulation, and Advanced/Additive manufacturing to develop next generation of architected multifunctional meta-materials and meta-structures with unrivalled multiphysical properties. His research interests lie primarily in the fields of Multiscale computational design and Advanced manufacturing of manmade and sustainable multifunctional metamaterials that go beyond lightweighting and tunable structural properties and offer sensing/actuating, energy scavenging, and shape-changing properties.
advanced multifunctional materials and structures; multiphysics and multiscale simulation of multiferroic cellular solids, smart and biocomposites, graded biological materials, and advanced metamaterials using theoretical/computational and experimental me
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chirality effects, polymer modified liquid crystals, lyotropic graphene oxide liquid crystals, defect dynamics, nanoparticles in liquid crystals, electrophoresis in anisotropic fluids
Ingo Dierking received his PhD in 1995 from the University of Clausthal in Germany. After an employment at the IBM TJ Watson Research Center in the US, working on electronic paper, he joined Chalmers University in Gothenburg, Sweden, as a Humboldt fellow. There he was appointed as docent, before joining the University of Darmstadt in Germany as lecturer for several years and eventually moving to the University of Manchester in 2002 where he is a Senior Lecturer/Assoc. Prof. at the Department of Physics & Astronomy. Ingo Dierking has published more than 130 scientific papers, as well as several books on topics of liquid crystal research. He is the 2009 awardee of the Hilsum medal of the British Liquid Crystal Society (BLCS) and the 2016 winner of the Samsung Mid-Career Award for Research Excellence of the International Liquid Crystal Society (ILCS). Ingo Dierking is the editor of Liquid Crystals Today, the current Secretary and President-elect of the ILCS and the former Chair of the BLCS. His current research interests are broadly focused on soft matter systems with an emphasis on liquid crystals and LC-based composites with polymers and nanoparticles.
Affiliation: University of Manchester, School of Physics and Astronomy, Manchester, United Kingdom
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Institute of Physics, Lodz University of Technology, ul. Wólczańska 219, 93-005 Łódź, Poland
Jolanta Prywer – currently a full professor at the Institute of Physics of the Lodz University of Technology, Lodz, Poland, where she started her academic career. Jolanta Prywer was awarded a M. Sc. in physics by the Lodz University of Technology, Poland, in 1990; a Ph. D in physics was awarded by the University of Lodz, Poland, in 1997. The habilitation procedure was conducted at the Institute of Physics at the University of Silesia in Katowice, Poland, in 2007. In 2019, she was appointed full professor in physical sciences. From the beginning of her academic career, her interests include experimental and theoretical studies of crystal growth of various substances. She specializes in the analysis and modeling of crystal morphology and phenomena associated with the processes of crystal growth, mainly from solutions and gels. Currently, as the leader of the Biogenic Crystal Research Group, together with the members of this Group, she is developing research related to the physiological and pathological biomineralization of living organisms. These are mainly studies of the physical processes associated with nucleation, growth and aggregation of solid phases that are the main components of infectious urinary stones. Prof. Jolanta Prywer is the author of more than 55 publications in international refereed journals from the Journal Citation Reports (JCR) list, and of approximately just as many communications to scientific conferences. She is a member of the Polish Physical Society (PPS) and a member of the board of the Polish Society for Crystal Growth (PSCG), in which she is the chairwoman of the biocrystallization section. She acts as a referee for several international journals. She is a member of the Editorial Board of Crystal Research and Technology journal (Wiley) since 2011, and of journal Crystals (MDPI) since 2016.
Interests: biogenic crystals; crystal growth from solutions; crystal morphology; struvite; carbonate apatite; infectious urinary stones
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Laboratorio de Difracción de Rayos X de Monocristal, SIdI, Universidad Autónoma de Madrid, 28049 Madrid, Spain
Josefina Perles is currently the Head Crystallographer in the Single Crystal X-Ray Diffraction Laboratory at the Universidad Autónoma de Madrid (Spain). She earned her the B.Sc. and M.Sc. degrees in chemistry by the Universidad Complutense de Madrid and worked during her predoctoral period in the Instituto de Ciencia de Materiales de Madrid, earning her Ph.D. in Inorganic and Bioinorganic Chemistry in 2006 (UCM). She has published more than 60 papers in relevant refereed international journals. Her main areas of expertise are the structural characterization of crystalline solids, mostly by SCXRD, and the relationships between the structure and properties in crystals. She is an expert in the solution of problematic crystal structures (i.e. featuring disorder or partial occupation of atom positions), supramolecular interactions and topological studies. She teaches Advanced Crystallography at Master Courses from several Spanish universities. Josefina is a member of the Board of the Spanish Crystallographers Association (GE3C), also of the Board of the local section of Madrid of the Spanish Royal Society of Chemistry (STM-RSEQ), and a founding member of the Spanish Group of XRD Laboratories. She performs dissemination activities, both as a member of Spanish group NanoMadrid, and also as an organizer of the Crystallization Contest for Secondary Schools in Madrid. She is the author of a chapter on crystallization experiments in the book Ciencias CreActivas for Primary School students. She is also a member of the Editorial board of the MDPI journal Crystals, Guest Editor of the special issue Characterisation and Study of Compounds by Single Crystal X-Ray Diffraction, and regularly acts as a referee for several journals.
single crystal X-ray diffraction; structure-properties relationship; supramolecular interactions; topological studies
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1. V.S. Sobolev Institute of geology and mineralogy SB RAS, Novosibirsk, Russia
2. Novosibirsk State University, Novosibirsk, Russia
Dr. Ludmila Isaenko has a D.Sc. in Engineering. She is currently a leading researcher in V.S. Sobolev Institute of Geology and Mineralogy SB RAS (laboratory of crystal growth) and in Novosibirsk State University (laboratory of functional materials). The scientific interests of Dr. Ludmila Isaenko include mainly the study of crystallization process and phase transformations in the multicomponent systems with emphasis on crystals for quantum electronics, their physical and chemical properties and defect impact on crystal functional parameters. The researchers group headed by Dr. L. Isaenko searches intensely for new functional materials as well as develops the techniques to produce nonlinear and laser crystals of high optical quality for VUV to mid IR ranges based on chalcogenides, galogenides, fluorides, phosphates etc. The most important achievements of Dr. Ludmila Isaenko during last decade are the creation of scientific and methodological foundations when growing crystals with predetermined properties for different high tech applications. She designed new broad band multifunctional fluoride, oxyfluoride and oxide crystalline materials. Single crystal nonlinear materials for mid-IR range were created basing on ternary and quaternary crystals of Li/Ga/In/Ge/S/Se. Main application of these crystals is nonlinear conversion of laser radiation in the optical parametric oscillators (OPO) with wavelength tuning in the mid-IR. The advantages of these crystals include low anisotropy of thermal expansion, which allows to grow crystals along any necessary crystallographic direction (including the phase matching direction). New laser materials for mid-IR related to the APb2X5 (A=K, Rb; X=Cl, Br) family were developed. She published more than 250 papers and 2 monographies, has several patents, is an expert of Journal of Crystal Growth (2011), ACS journals (2011), Optical Materials etc, is a member of APAM (Asia-Pacific Academy of Materials). Since 2020 Dr. Ludmila Isaenko is a member of the Editorial board of the MDPI journal Crystals. She is an expert in the fields of c
Crystallization processes; crystal growth; phase transitions; crystal structure; defect formation; laser materials; doping; linear, nonlinear, laser properties of inorganic crystals; semiconductors; spectroscopy
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Dr. Luisa De Marco, received her PhD in Nanoscience from University of Salento (Italy) in 2010 working on nanostructured semiconductors for photovoltaic devices. Subsequently joined the Italian Institute of Technology (IIT) where she dealt with new materials and architectures for optoelectronic devices. Since 2016 is Researcher at the Institute of Nanotechnology of the National Research Council (CNR, Italy). She is author of more than 60 publications with more than 1700 citations (h-index 26). Her research interests focus on the development and engineering of hybrid and inorganic low-dimensional semiconductors, including single crystal perovskites, for nanophotonic devices.
: hybrid and inorganic semiconductors; low-dimensional materials; optoelectronics; 2D perovskites
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International University of Rabat, ParcTechnopolis Rabat, Morocco
Pr. Dr. Mohamed Balli is aiming to understand how to particularly make magnetic materials useful in our daily life such as clean and efficient refrigeration, gas storage, cancer treatment and much more. M. Balli received his Master degree in Mechanics of Materials from Montpellier II University (France), a second Master degree in Magnetism from Joseph Fourier University, Grenoble 1 (France) and, a PhD degree in physics of materials specializing in magnetocaloric materials, from Joseph Fourier University, prepared at Néel Institute (CNRS). Between 2008 and 2012, he was Enseignant-Chercheur at the University of Applied Sciences of Western Switzerland, before joining the University of Sherbrooke, Canada, where he worked as Senior Researcher at the Physics Department and Quantum Institute. Since January 2019, he is Associate Professor of Physics at the International University of Rabat. He is a member of the Working Party on Magnetic Refrigeration, International Institute of Refrigeration (IIR, Paris). He is also a guest editor and editorial board member of the Journal Crystals (IF:2.14). He has published on magnetic materials, multiferroics and systems more than 90 peer reviewed articles in reputed journals (including roughly 50 papers as first author). He particularly discovered a large thermal effect in HoMn2O5 crystals that can be obtained simply by spinning them in a constant magnetic field and accordingly proposed an innovative design for the liquefaction of helium and hydrogen. He also questioned the discovery of the so-called colossal magnetocaloric effect (MCE) in Mn1-xFexAs compounds (reported in nature) and concluded that the reported MCE values are spurious due to the inadequate use of Maxwell equation. His patent on LaFeSi-based materials is currently a subject of commercialization and industrialization by ArcelorMittal and Erasteel companies. On the other hand, his research activities on caloric devices have led in 2012 to the creation of Clean Cooling Systems (CCS), a Swiss company specializing in the development of green technologies for refrigerat
magnetic materials; magnetocaloric materials; caloric materials; magnetic refrigeration; multiferroics; nanomagnetic materials; thin films; single crystals; frustrated magnetism; permanent magnets; soft magnetic materials; structural and physical properti
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Institute of Crystallography, National Research Council-CNR, Bari, Italy
Rosanna Rizzi is currently Researcher at Institute of Crystallography (IC) of CNR in Bari, Italy. Rosanna Rizzi earned the Laurea degree in Physics, from Bari University and at IC she started her scientific career. The scientific interests of Dr Rizzi are mainly focused on the development and implementation, in crystallographic software, of innovative theoretical, methodological and computing algorithms devoted to the best interpretation of the experimental powder diffraction information. Specifically, she is involved in the qualitative analysis of mixtures and in characterization and crystal structure solution of medium and small organic, inorganic and metal-organic polycrystalline compounds. Dr Rizzi is co-author of three crystallographic software distributed at the international scientific community: 1) QualX for qualitative analysis; 2) EXPO for structure solution and refinement by using powder data; 3) OChemDB the free on-line Open Chemistry Database portal for searching and analysing crystal structure information. On the experimental side, Dr Rizzi is head of the X-Ray powder diffraction laboratory at the IC, where data collection at room temperature of high-quality is performed. Dr Rizzi is author of about 90 publications in international refereed journals, book chapters, and she has collaborated in the writing of two chapters of International Tables for Crystallography, Volume H: Powder Diffraction. She is a member of the Associazione Italiana di Cristallografia (AIC) and of the International Centre for Diffraction Data (ICDD). She acts as a referee for several international journals and is a member of the Editorial board of the MDPI journal Crystals.
crystal structure solution; powder diffraction; direct methods; real space methods; indexing; space group determination; Rietveld refinement; X-ray data collection
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Istituto Italiano di Tecnologia - Center for Translational Neurosciences Via Fossato di Mortara 17-19, 44121 Ferrara Italy
Dr. Stefano Carli (MSc and PhD in Chemistry, University of Ferrara) has devoted his PhD investigations to the development of new photochromic dyads. From 2009 to 2016 Dr. Carli’s research activity was oriented on Dye Sensitized Solar Cells, Perovskite Solar Cells, as well as on new catalysts for light-induced water splitting. Currently Dr. Carli is a postdoctoral researcher at the Italian Institute of Technology and his research is focused on the development of new smart materials for neural sensing and stimulation, as well as for bioelectronics. One of the main aspects of his research is the reduction of tissue inflammation as a consequence of neural probes implantation. For this purpose, new drug release systems from conductive polymers (PEDOT) are under investigation. He’s authors of more than 30 papers in peer reviewed journals and inventor of 1 patents. He is a member of the Editorial board of the MDPI journal Crystals.
conductive polymers; dye sensitized solar cells; electrochemical impedance spectroscopy; electrodeposition; photocatalysis; inorganic chemistry; coordination chemistry
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Institute of Solid State Physics, Russian Academy of Sciences, 2 Academician Osipyan Str., Chernogolovka, Moscow District, 142432, Russia
Vladislav Kharton is the head of the Laboratory of Materials for Electrochemical Technologies, Institute of Solid State Physics RAS, Russian Academy of Sciences. Having received his doctoral degree in physical chemistry from the Belarus State University in 1993, he has published over 350 scientific papers in international SCI journals, including 11 reviews, and coauthored over 50 papers in other refereed journals and volumes, 5 books and 6 patents. He is a member of the editorial and advisory boards of Materials Letters, Processing and Application of Ceramics, Review Journal of Chemistry, Crystals, Russian Journal of Electrochemistry, International Journal of Membrane Science and Technology, and Chimica Techno Acta. In 2004, he was awarded by the Portuguese Science Foundation prize for Scientific Excellence. In 2013, he received the Grant of the Russian Federation Government for support of research projects implemented under the supervision of world-leading scientists at Russian institutions of higher learning, research organizations of the governmental academies of sciences and governmental research centers of the Russian Federation. In 2017, his laboratory was awarded by the grant of the Russian Science Foundation “Implementation of research by world-level scientific laboratories in the priority areas of scientific and technological development of the Russian Federation”, Russian President program of research projects implemented
Solid oxide fuel cells; ceramic membranes; high-temperature electrochemistry and chemistry of solids; electrocatalysis; mixed ionic-electronic conductors; solid electrolytes; modelling of ionic and ambipolar transport processes; ceramic technologies; oxyg
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Department of Industrial Engineering, University of Florence, via S. Marta 3, 50139 Florence, Italy
Paola Paoli is full Professor of Chemical Foundations of Technologies at the University of Firenze. She has a long and well documented experience (she is author of more than 160 publications in peer reviewed international journals) in the field of structural characterization by using experimental (single crystal and powder X-ray diffraction, differential scanning calorimetry, hot stage microscopy) and computational methods (molecular modelling and data mining) aimed at finding structureproperty relationships. The research topics cover mainly two areas: receptors and metallo-receptors for the recognition, sequestering and signaling of guests having relevance in the biological and environmental fields and, more recently, solid forms of active pharmaceutical ingredients (phase stability, phase transformation, polymorphism, pseudo-polymorphism, etc.). She has been the President of the Centro di Cristallografia Strutturale (CRIST) of the University of Firenze (2009-2017), which is one of the state-ofthe-art, core instrumentation facilities of the University of Firenze. She has served the crystallographic community on several occasions and in different roles. In particular she was the Chairperson of the Local Organizing Committee of the XX IUCr Congress and General Assembly (Firenze - Italy, 23-31 August 2005) which hosted about 3000 participants from across 62 countries and contributes to organize the satellite one-day symposium before the ICSU G.A. “From Elementary Chemical Processes to Complex Biological Structures for the Benefit of Human Health” (Firenze - Italy, 23 September 2011) with seven speakers of excellence, including three Nobel Laureates and the presidents of IUCr and IUPAC. She acts as a referee for several journals, mainly in the crystallographic area and she is a member of the Editorial board of the MDPI journal Crystals (Crystal Engineering Section).
single crystal and microcrystalline powder X-ray diffraction; computational chemistry; molecular and crystal structures of organic compounds, API and metal complexes; structure-property relationships; supramolecular chemistry; phase transitions; polymorph
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RWTH Aachen University, Institute of Inorganic Chemistry, Aachen, Germany and Shanxi University, Institute of Molecular Science, Taiyuan, China
The research interests of Ulli Englert and his team center around the structural aspects of molecular compounds and their characterization by diffraction experiments. Within the huge realm of coordination polymers and metal organic frameworks, we focus on the systematic synthesis of mixed-metal compounds. We coordinate ditopic ligands to metal cations of one kind and crosslink these intermediates with a second type of cations to extended structures. The concomitant presence of different metals leads to fascinating structures and solids with attractive properties, for example with respect to catalysis. In a second area of interest, we use high resolution diffraction data to obtain the electron density and details of interatomic interactions at subatomic resolution. The experimental charge density of halogen bonds and interhalogen contacts represent our main targets. In order to achieve the most informative data, we combine in-house experiments with neutron diffraction and X-ray diffraction at synchrotron facilities. Our results have been communicated in over 500 peer-reviewed articles and oral or poster contributions to scientific conferences. Ulli Englert is chairman of the molecular crystallographers within the German crystallographic association and member of the editorial board of the MDPI journal Crystals, section crystal engineering.
RWTH Aachen University, Institute of Inorganic Chemistry, Aachen, Germany and Shanxi University, Institute of Molecular Science, Taiyuan, China
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Institute of Solid State Physics, Vienna University of Technology, Vienna 1040 Austria
Introduction: Prof. Prokofiev earned a diploma in chemistry at St.-Petersburg State University. He worked thereafter at the Ioffe Physical-Technical Institute of the Russian Academy of Sciences. From 1999 until 2005, he was a researcher at the Goethe-University Frankfurt. Now he is associate professor at the Vienna University of Technology (Technische Universität Wien). The scientific interests of Prof. Prokofiev include synthesis of inorganic materials, crystal growth, solid-state chemistry, phase diagrams, x-ray diffraction, scanning/transmission electron microscopy, and physical properties of a wide range of materials. This range comprises intermetallic compounds, rare earth chalcogenides, transition metal complex oxides, metal-organic polymers and mesoscopic inorganic structures on the base of opal matrix. The main focus in these materials is on strong electronic correlations, thermoelectricity, geometrical frustration, low spin dimensionality. He is author of more than 150 publications in international peer-reviewed journals, of two book chapters and patents. He acts as a referee for a number of journals. He is a member of the Council of the European Network on Crystal Growth. He is also a member of the Editorial board of the MDPI journal Crystals.
materials synthesis, crystal growth, solid state chemistry, thermoelectric properties, phase diagrams, XRD and SEM characterization, clathrates, intermetallic
andrey.prokofiev@ifp.tuwien.ac.at
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Central Department of Physics, Tribhuvan University, Kirtipur, Nepal
Madhav Prasad Ghimire is an Associate Professor at the Central Department of Physics in Tribhuvan Univeristy, Kirtipur, Nepal. Prof. Ghimire completed his B. Sc (honors in Physics) from North Eastern Hill University, India (2001), M.Sc Physics (Solid State) from Banaras Hindu University, India (2003), and PhD (Physics) from Mizoram University, India (Nov. 2010). He joined Nepal Academy of Science and Technology as a Senior Scientific Officer (2011-2012). Under the bi-lateral exchange scientific program between NAST-Nepal and INSA-India he successfully completed two projects. He is a recipient of TWAS Award (2011) in Physics from Nepal. He started working in National Institute for Materials Science, Tsukuba, Japan as a NIMS Postdoctoral fellow (2012-2014). The outcome of the research work completed during his PhD and post-doctoral research lead him to achieve the prestigious Alexander von Humboldt Fellowship (HERMES) in 2015 by AvH Foundation, Germany for a research proposal on weak topological insulator. From 2015 to July 2018, he worked as a Humboldt Postdoctoral Fellow at the Leibniz Institute for Solid State and Materials Research (IFW-Dresden), Germany where his work is mainly focused on weak topological insulators (such as Bi14Rh3I9, Bi12Rh3Sn3I9, Bi2TeI), and Weyl and Dirac semimetals. The related work got published in a highly reputed international journal such as Nature Materials, Nano Letters, APS and European Journals. Since August 2018, Prof. Ghimire is a permanent faculty of this department appointed through the Excellence based Open Competition of Tribhuvan University, Nepal. Prof. Ghimire formed his own research group named “Advanced Materials Research Laboratory” in the University, where 18 graduate (M.Sc) and 3 PhD students are working under his supervision in several projects. He has a strong international collaboration in well-recognised institutes such as Massachusetts Institute of Technology, Harvard University, etc. in USA, IFW-Dresden, Germany, NIMS, Japan, Mizoram University, India, etc.
Topological phase transition in kagome systems; Prediction of Dirac/Weyl semi-metals by DFT calculations; Thin-film deposition of magnetic ions in weak and strong topological insulators; Surface and interfacial properties of 2D materials including bismuth
madhav.ghimire@cdp.tu.edu.np
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Institute of Crystallography, National Research Council-CNR, Bari, Italy
Angela Altomare graduated cum laude in Physics at the University of Bari, in Italy. Since 1988, she has worked as a researcher at the Institute of Crystallography of the Italian National Research Council (CNR) in Bari, initially collaborating with Prof. Carmelo Giacovazzo. As first researcher, she oversees a team whose research is focused on several scientific objectives, including the development of innovative crystallographic methodologies aimed at structural solution from single crystal and powder diffraction data, the development of new computational algorithms and their implementation in crystallographic software, the structural characterization by single crystal diffraction data and microcrystalline powder, and qualitative and quantitative analysis of multiphase mixture by powder diffraction. In 2019 Angela was the recipient of the ‘Mario Mammi’ Award of the Italian Crystallographic Association (AIC). In 1999, Angela was the recipient of the AIC Prize for the activity and the original and innovative research results in the field of crystallographic methodologies, both theoretical and applicative and for the work on the association activities. She is Section Editor of Acta Crystallographica Section A and, since 2014, Co-Editor of the same Journal. She was Chair of the 15th European Powder Diffraction Conference, held in Bari, 2016. Angela actively serves as a member in the Commission on Powder Diffraction of the International Union of Crystallography, European Powder Diffraction Conference Committee, AIC, and the President Council of AIC. Her research activity is presented in about 120 scientific publications, 9 chapters of books and several communications as oral and poster contributions, and participations in congresses. Angela Altomare is widely recognized throughout the scientific community for her work and research in the Crystallography field, also by co-authoring 12 crystallographic computing programs worldwide used, and having nearly 26,000 citations.
crystal structure solution; powder diffraction; direct methods; real space methods; indexing; space group determination; rietveld refinement; X-ray data collection
angela.altomare@ic.cnr.it
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Department of Chemical Engineering, Faculty of Natural Sciences, Norwegian University of Science and Technology (NTNU), Trondheim-7491, Norway
Dr. Suresh Kannan Balasingam is presently working as a Researcher in Norwegian University of Science and Technology (NTNU), Norway. He has completed his PhD degree from Ulsan National Institute of Science and Technology (UNIST) and followed by the Postdoctoral research experience from the Konkuk University, Republic of Korea. He received his M.Sc. degree in Industrial chemistry (specialization in electrochemistry) with a gold medal award from Alagappa University, India, in 2008 and B.Sc. degree in chemistry from the Madurai Kamaraj University, India, in 2006. Dr. Balasingam obtained two years of research experience at the Central Electrochemical Research Institute (CECRI-CSIR, Government of India) and one year of research experience at the Technical University of Denmark (DTU), prior to joining UNIST. His current research interests mainly focus on two-dimensional graphene/transition metal dichalcogenide-based materials for supercapacitors and photoelectrochemical energy conversion and storage, encompassing DSSCs, photoelectrochemical water splitting, and CO2 reduction. Dr. Balasingam is author of more than 25 publications in international refereed journals and he is a member of International Society of Electrochemistry (ISE), Materials Research Society of India (MRSI), Electrochemical Society (ECS) and Society for Advancement of Electrochemical Science and Technology (SAEST). He acts as a referee for various Nature, ACS, RSC, Springer, IOP, Science direct and MDPI journals. Dr. Balasingam has received Publons Peer Review Awards for the top 1% reviewer in the field of Chemistry, Materials Science, Engineering and Physics for the last three consecutive years (2017-2019). He currently serves as an Academic Editor, Topic Editor, Guest Editor, Reviewer board Member of various Hindawi and MDPI Journals. He is a member of Editorial board of the MDPI journal Crystals.
membranes for energy conversion and storage; batteries; supercapacitors; electrocatalysis; sea water electrolysis, solar cells; photoelectrochemical water splitting; solar fuels
suresh.k.balasingam@ntnu.no
Session Chairs
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Prof. Charles Rosenblatt
Ohio Eminent Scholar and Professor of Physics, Department of Physics, Case Western Reserve University Cleveland, OH 44106-7079, USA
liquid crystals and complex fluids (electric and magnetic field effects, interfaces, phase transitions, colloidal inclusions); fluid interface instabilities; microgravity
Session A: Liquid Crystals
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Prof. Dr. Robert F. Klie
Department of Physics, University of Illinois at Chicago, 845 West Taylor Street, Chicago, IL 60607, USA
Transmission electron microscopy; Scanning transmission electron microscopy; Electron energy-loss spectroscopy; Correlated oxides; Molecular beam epitaxy; Electron beam diffraction; Magnetism
Session B: Crystalline Materials
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Prof. Dr. Reshef Tenne
Department of Materials and Interfaces, Weizmann Institute, Rehovot 76100, Israel
Nanomaterials; nanotechnology; chemistry of materials; solid-state chemistry; physical chemistry; inorganic nanotubes; characterization of inorganic materials; functionality of inorganic materials
Session C: Crystal Engineering
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Dr. Rocco Caliandro
Institute of Crystallography, CNR, Bari, Italy
protein crystallography; phasing algorithms; molecular dynamics
Session D: Biomolecular Crystals
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Dr. Michele IAFISCO
Laboratory of Bioceramics and Bio-hybrid Composites, CNR - Institute of Science and Technology for Ceramics. Via Granarolo, 64 I-48018 FAENZA (RA), Italy
biomaterials, biomineralization, nanomedicine, calcium phosphates, bioceramics
Session E: Crystalline Minerals and Biominerals
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Dr Cyril Cayron
Swiss Federal Institute of Technology EPFL, Lausanne, Lausanne, Switzerland Interests: metallurgy; EBSD; TEM; crystallography; martensitic transformations; twinning; variants; group theory
metallurgy; EBSD; TEM; crystallography; martensitic transformations; twinning; variants; group theory
Session F: Phase transformations in crystalline materials
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Dr. Teresa Sibillano
Consiglio Nazionale delle Ricerche, Rome, Italy
Characterization of nano- and bio-materials by X-ray scattering (SAXS, WAXS, GI-SAXS e GI-WAXS) and diffraction (XRD) techniques.
Session G: Small and Wide Angle X-ray Scattering Applied to Nano- and Biomaterials
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Dr. Anna Moliterni
Institute of Crystallography (IC), CNR (National Research Council), Italy
Ab-initio structure determination by powder diffraction data; computational crystallography; qualitative phase analysis; quantitative phase analysis; Rietveld refinement; structure determination and refinement by single crystal diffraction data; data collection and processing
Session H: Software/Tools to Deal with Crystal and Crystallographic Issues & Teaching Crystallography
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Prof. Dr. Zoran Radić
Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, CA 92093, USA University of Zagreb, 10000 Zagreb, Croatia
Enzyme kinetics, catalytic mechanisms, protein structure, cholinesterase structure/activity, acetylcholinesterase, butyrylcholinesterase, cholinesterase inhibition, cholinesterase reactivation, antidotes against organophosphate intoxication, structure-based antidote design
Session I: Structure of Cholinesterases
Sessions
B. Crystalline Materials
C. Crystal Engineering
D. Biomolecular Crystals
E. Crystalline Minerals and Biominerals
F. Phase Transformations in Crystalline Materials
G. Small and Wide Angle X-ray Scattering Applied to Nano- and Biomaterials
H. Software/Tools to Deal with Crystal and Crystallographic Issues & Teaching Crystallography
I. Structure of Cholinesterases
Call for submissions
e-conferences, virtually anywhere
The 2nd International Online Conference on Crystals
The Chairs and the Scientific Committee Members are pleased to announce the Call for Submissions for the 2nd International Online Conference on Crystals and to invite each researcher working in this exciting field to share his/her recent results with his/her colleagues around the world.
The conference will be organized into eight sessions, which reflect the interdisciplinary nature of crystals and its applications:
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Session A: Liquid Crystals
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Session B: Crystalline Materials
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Session C: Crystal Engineering
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Session D: Biomolecular Crystals
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Session E: Crystalline Minerals and Biominerals
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Session F: Phase Transformations in Crystalline Materials
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Session G: Small and Wide Angle X-ray Scattering Applied to Nano- and Biomaterials
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Session H: Software/tools to Deal the Crystal and Crystallographic Issues & Teaching Crystallography
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Session I: Structure of Cholinesterases
We look forward to receiving contributions in response to this call and will be glad to provide any further information to interested parties. Questions may be addressed to the Crystals editorial office at iocc2020@mdpi.com .
Thank you in advance for your attendance of this conference and look forward to a stimulating exchange.
Critical Dates
Invited Speakers
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Department of Physics, University of Illinois at Chicago, 845 West Taylor Street, Chicago, IL 60607, USA
Robert F. Klie is a Full Professor of Physics at the University of Illinois at Chicago where he leads a research team focused on 2the in-situ characterization of complex materials interfaces. Prof. Klie attended the Rheinische-Friedrich-Wilhelms Universität in Bonn, Germany and graduated with a PhD in Physics from the University of Illinois in 2002. He was then named a Goldhaber Fellow at Brookhaven National Laboratory, where he studied the properties of complex oxides and borides in the Condensed Matter Physics and Materials Science Department as well as the Center for Functional Nanomaterials. In 2006, we joined the Department of Physics at the University of Illinois at Chicago as an Assistant Professor, where he established the Nanoscale Physics Group and the established on of the first aberration-corrected cold-field emission TEM/STEM facilities in the United States. Currently, Prof. Klie’s group focuses on developing a fundamental understanding of the structure-property relationships in photovoltaic or battery cathode materials, as well as complex oxide thin films using atomic-resolution aberration-corrected imaging and spectroscopy. In recent years, his group has also pioneered novel approaches to studying water, biological systems and solid-liquid interfaces using graphene liquid cells and ultra-high resolution electron energy-loss spectroscopy (EELS). Dr. Klie has published over 190 peer-reviewed papers with more than 5,400 citations, given more than 90 invited talks at prestigious international conferences, and has an h-index of 40. His scientific achievements have been recognized by a number of prestigious awards, including the Brookhaven Goldhaber Distinguished Fellowship and the University of Illinois Researcher of the Year award.
Transmission electron microscopy; Scanning transmission electron microscopy; Electron energy-loss spectroscopy; Correlated oxides; Molecular beam epitaxy; Electron beam diffraction; Magnetism
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1. Professor, Foshan University, jiang-wan-yi-lu, Chancheng, Foshan, Guangdong, P.R. China, 528000
2. Emeritus Professor, Hong Kong University of Science and Technology
Professor Vladimir G. Chigrinov is Professor of Hong Kong University of Science and Technology since 1999. He is an Expert in Flat Panel Technology in Russia, recognized by the World Techlonogy Evaluation Centre, 1994, and SID fellow since 2008. He is an author of 6 books, 32 reviews and book chapters, about 309 journal papers, more than 661 Conference presentations, and 112 patents and patent applications include 34 US patent in the field of liquid crystals since 1974. He got Excellent Research Award in the Invention & Innovation Award 2014 held at the Malaysia Technology Expo(MTE) 2014, which was hosted in Kuala Lumpur, Malaysia, on 20-22 Feb 2014. He got A Slottow Owaki Prize of SID in 2018 http://www.ee.ust.hk/ece.php/enews/detail/660 . He is 2019 Distinguished Fellow of IETI (International Engineering and Technology Institute). http://www.ieti.net/news/detail.aspx?id=184 http://www.ieti.net/membership/Fellows.aspx . He is an active member of EU Academy of Science (EUAS) since November 2019.
computer modeling of various electrooptical effects in Liquid Crystals (LC); photo-aligning technique for LCD applications; LC devices in fiber optics; fast multistable ferroelectric liquid crystal devices
eechigr@ust.hk
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Swiss Federal Institute of Technology EPFL, Lausanne, Lausanne, Switzerland
Dr Cayron is a Senior Scientist at the Thermomechanical Metallurgy Laboratory, Swiss Federal Institute of Technology Lausanne. He is a. He has worked as metallurgist and crystallographer on the crystallography of phase transformations in solid materials, such as precipitation in aluminium alloys, martensitic transformation in steels and titanium alloys, lithiation in LiFePO4 batteries, annealing twin structures in copper and stainless steels, deformation twinning in magnesium alloys, auto-accommodation structures of variants in shape memory alloys etc. He is an experimentalist, specialist of TEM, EBSD and TKD, but also a theorist. He established that the algebraic structure of the variants with their misorientations inherited from a phase transformation is a groupoid based on cosets and double-cosets. He wrote the software ARPGE that uses the theoretical groupoid structure to reconstruct the prior parent grains from experimental EBSD maps. He is author / co-author of 98 publications (h = 25).
metallurgy; EBSD; TEM; crystallography; martensitic transformations; twinning; variants; group theory
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Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Budapest, Hungary
László Kovács was awarded a PhD degree in physics by the Eötvös Loránd University in Budapest (Hungary) in 1987. He worked as a postdoctoral fellow at the Applied Physics Department of the Universidad Autónoma de Madrid (Spain) between 1988-1990 and the School of MAPS, University of Sussex in Brighton (UK) in 1992-1993. Later he spent several years as a visiting scientist at the Physics Department of the Università di Parma (Italy) and the Universität Osnabrück (Germany). He received his DSc degree from the Hungarian Academy of Sciences in 2002. At present he is with the Wigner Research Centre for Physics in Budapest as a scientific advisor. His scientific interests are focused on experimental crystal physics, in particular electrical and optical characterization of insulating crystals (electrical conductivity and dielectric properties, nonlinear optics, acousto-optics, photorefraction, optical absorption in the UV-VIS-IR region, high resolution FTIR, Raman and luminescence spectroscopies, resonant optical processes etc.). He is involved in studies of intrinsic and extrinsic point defects induced by hydroxyl ions and selected dopants such as transition metals and rare-earth ions in a series of different oxide crystals (e.g. niobates, including lithium niobate, sillenites, germanates, paratellurite, borates etc.). László Kovács is author of more than 150 publications in international journals and co-author of numerous contributions to scientific conferences. He is a member of the Eötvös Loránd Physical Society, the IUCr Hungarian National Committee, and of International Advisory Committees of the EURODIM, ICDIM, and OMEE conference series. He acts as a referee for several international journals, such as Optical Materials, Materials Research Bulletin, Vibrational Spectroscopy, Journal of Luminescence, Crystals, etc. He is a member of the Editorial Board of the MDPI journal Crystals, and Guest Editor of its two Special Issues. He was awarded the Youth Prize of the Hungarian Academy of Sciences and the Zoltán Gyulai Prize of the Eötvös Loránd Physical Society.
Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Budapest, Hungary
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Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, CA 92093, USA
University of Zagreb, 10000 Zagreb, Croatia
Zoran Radić is Associate Adjunct Professor at the UC San Diego and Permanent Scientific Advisor at the University of Zagreb. He leads multi-institutional group of researchers aiming at defining realistic structural templates needed for structure-based design of antidotes against organophosphate poisoning. Dr. Radić is a graduate of the University of Zagreb, Zagreb Croatia where he started his research in acetylcholinesterase (AChE) reaction kinetics. His interest in AChE molecular structure brought him to UC San Diego where he as a post-doc in the Palmer Taylor group contributed to functional mapping of the AChE molecule using site directed mutagenesis and defined structural domains and amino acid residues critical for catalytic activity and ligand interaction. He proposed common, simplified kinetic scheme and equation to describe acetylcholine (ACh) turnover by both AChE and its structurally and functionally close relative butyrylcholinesterase (BChE) that included both substrate inhibition of AChE and substrate activation of BChE, two prominent forms of deviation from Michaelis-Menten kinetics. Dr. Radić developed intrinsic tryptophan fluorescence-based assays for in vitro monitoring of time resolved and equilibrium-based interactions of cholinergic ligands with native nicotinic acetylcholine receptor ligand binding domain surrogates, ACh binding proteins (AChBPs), as well as with AChE and BChE. This assay proved essential in functional characterization of one of tightest known, small molecule femtomolar inhibitors of AChE developed in collaboration with Dr. Barry Sharpless of The Scripps Research Institute in La Jolla (TSRI). Dr. Radić leads, as a PI, NIH funded national and international collaborative projects with researchers from TSRI, Oak Ridge National Laboratory (Dr. Andrey Kovalevsky), University of Utah at Salt Lake City (Dr. Donald Blumenthal), The Ohio State University (Dr. Xiaolin Cheng), UC San Diego (Dr. Carlo Ballatore), Institute for Medical Research and Occupational Health in Zagreb, Croatia (Dr. Zrinka Kovarik), University of Hradec Kralov
Enzyme kinetics, catalytic mechanisms, protein structure, cholinesterase structure/activity, acetylcholinesterase, butyrylcholinesterase, cholinesterase inhibition, cholinesterase reactivation, antidotes against organophosphate intoxication, structure-bas
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Institute of Crystallography, National Research Council-CNR, Bari, Italy
Angela Altomare graduated cum laude in Physics at the University of Bari, in Italy. Since 1988, she has worked as a researcher at the Institute of Crystallography of the Italian National Research Council (CNR) in Bari, initially collaborating with Prof. Carmelo Giacovazzo. As first researcher, she oversees a team whose research is focused on several scientific objectives, including the development of innovative crystallographic methodologies aimed at structural solution from single crystal and powder diffraction data, the development of new computational algorithms and their implementation in crystallographic software, the structural characterization by single crystal diffraction data and microcrystalline powder, and qualitative and quantitative analysis of multiphase mixture by powder diffraction. In 2019 Angela was the recipient of the ‘Mario Mammi’ Award of the Italian Crystallographic Association (AIC). In 1999, Angela was the recipient of the AIC Prize for the activity and the original and innovative research results in the field of crystallographic methodologies, both theoretical and applicative and for the work on the association activities. She is Section Editor of Acta Crystallographica Section A and, since 2014, Co-Editor of the same Journal. Angela has been invited speaker, teacher and chairman of microsymposia, as well as member of program committee at several national and international meetings and schools. She was Chair of the Scientific Organizing Committee of the International Crystallography School organized by the Commission on Crystallographic Teaching of AIC, held in Bari, 2018, in collaboration with research teams of CNR and University of Bari. She was Chair of the 15th European Powder Diffraction Conference, held in Bari, 2016. Angela actively serves as a member in the Commission on Powder Diffraction of the International Union of Crystallography, European Powder Diffraction Conference Committee, AIC, and the President Council of AIC. Her research activity is presented in about 120 scientific publications, 9 chapters
List of Keynotes & Videos from Invited Speakers
Keynotes
New Approaches to Relating Structure and Function using Analytical Transmission Electron Microscopy
by Prof. Dr. Robert F Klie
Keynotes
The B2-B19’ orientation relationships and their continuums revealed by EBSD and TKD observations of NiTi alloys
by Cyril Cayron
Keynotes
Lines of communication within and between catalytic subunits of human acetylcholinesterase revealed by cryo- and room-temperature X-ray crystallography and by Small Angle X-ray Scattering (SAXS)
by Zoran Radić
Keynotes
Polycrystalline Materials: Crystal Structure Solution in the Reciprocal Space or/and Direct Space?
by Dr. Angela Altomare
Keynotes
Liquid Crystal Azodye Photoalignment: New Development
by Prof. Dr. Vladimir G. Chigrinov
Keynotes
Lithium niobate: from single crystals to nanocrystals
by Prof. Dr. László Kovács
Instructions for Authors
Submissions should be done by the authors online by registering with www.sciforum.net, and using the "Start New Submission" function once logged into system.
- Scholars interested in participating in the conference can submit their abstract (about 200-250 words) online on this website until 1 September 2020 15 September 2020
- The Conference Committee will pre-evaluate, based on the submitted abstract, whether a contribution from the authors of the abstract will be welcome for the 2nd International Online Conference on Crystals. All authors will be notified by 10 September 2020 30 September 2020 about the acceptance of their abstract.
- If the abstract is accepted for this conference, the author will be invited to prepare a full description of their work (max. 8 pages), or a PowerPoint presentation /poster, by the submission deadline of 10 October 2020 20 October 2020.
- The conference proceedings papers and presentations will be available on https://sciforum.net/conference/IOCC_2020 for discussion during the time of the conference 10 November–20 November 2020.
- The Open Access Journal Crystals will publish Special Issue of the conference and accepted papers will be published in the proceedings of the conference itself. After the conference, the Conference Committee will select manuscripts that may be included for publication in the Special Issue of the journal Crystals (the submission to the journal is independent from the conference proceedings and will follow the usual process of the journal, including peer-review, APC, etc.).
Manuscripts should be prepared in MS Word or any other word processor and should be converted to the PDF format before submission. The publication format will be PDF. The manuscript should count at least 3 pages long (including figures, tables and references).
Structure of Proceedings Paper
Manuscripts for the proceedings issue must have the following organization:
- Title
- Full author names
- Affiliations (including full postal address) and authors' e-mail addresses
- Abstract
- Keywords
- Introduction
- Methods
- Results and Discussion
- Conclusions
- (Acknowledgements)
- References
Manuscripts should be prepared in MS Word and should be converted to the PDF format before submission. The publication format will be PDF. There is no page limit on the length, although authors are asked to keep their papers as concise as possible.
Microsoft Word
Authors must use the Microsoft Word template to prepare their manuscript. Using the template file will substantially shorten the time to complete copy-editing and publication of accepted manuscripts. Manuscript prepared in MS Word must be converted into a single file before submission. Please do not insert any graphics (schemes, figures, etc.) into a movable frame which can superimpose the text and make the layout very difficult.
IOCC-2020-template
Manuscript Preparation
- Paper Format: A4 paper format, the printing area is 17.5 cm x 26.2 cm. The margins should be 1.75 cm on each side of the paper (top, bottom, left, and right sides).
- Formatting / Style: Papers should be prepared following the style of IOCC-2020 template. The full titles and the cited papers must be given. Reference numbers should be placed in square brackets [ ], and placed before the punctuation; for example [4] or [1-3], and all the references should be listed separately and as the last section at the end of the manuscript.
- Authors List and Affiliation Format: Authors' full first and last names must be given. Abbreviated middle names can be added. For papers written by various contributors a corresponding author must be designated. The PubMed/MEDLINE format is used for affiliations: complete street address information including city, zip code, state/province, country, and email address should be added. All authors who contributed significantly to the manuscript (including writing a section) should be listed on the first page of the manuscript, below the title of the article. Other parties, who provided only minor contributions, should be listed under Acknowledgments only. A minor contribution might be a discussion with the author, reading through the draft of the manuscript, or performing English corrections.
- Figures, Schemes and Tables: Authors are encouraged to prepare figures and schemes in color. Full color graphics will be published free of charge. Figure and schemes must be numbered (Figure 1, Scheme I, Figure 2, Scheme II, etc.) and an explanatory title must be added. Tables should be inserted into the main text, and numbers and titles for all tables supplied. All table columns should have an explanatory heading. Please supply legends for all figures, schemes and tables. The legends should be prepared as a separate paragraph of the main text and placed in the main text before a table, a figure or a scheme.
Presentation Slides
Authors are encouraged to prepare a presentation in PowerPoint or similar software, to be displayed online along with the manuscript. Slides, if available, will be displayed directly in the website using Sciforum.net's proprietary slides viewer. Slides can be prepared in exactly the same way as for any traditional conference where research results can be presented. Slides should be converted to the PDF format before submission so that our process can easily and automatically convert them for online displaying.
IOCC-2020_PPT-template.pptx
Video Presentations
Authors are also encouraged to submit video presentations. If you are interested in submitting, please contact the conference organizer (iocc2020@mdpi.com) to get to learn more about the procedure.
Tips for authors: If you would like to prepare a video based on your PPT presentation, you may use the "record slide" function in the PowerPoint. The video will be uploaded to YouTube, as well as onto Sciforum. The video should be no longer than 20 minutes and be prepared with one of following formats:
- .MOV
- .MPEG4
- .MP4
- .AVI
- .WMV
- .MPEGPS
- .FLV
The video should be submitted via email before 1 September 2020
Potential Conflicts of Interest
It is the authors' responsibility to identify and declare any personal circumstances or interests that may be perceived as inappropriately influencing the representation or interpretation of clinical research. If there is no conflict, please state here "The authors declare no conflict of interest." This should be conveyed in a separate "Conflict of Interest" statement preceding the "Acknowledgments" and "References" sections at the end of the manuscript. Financial support for the study must be fully disclosed under "Acknowledgments" section. It is the authors' responsibility to identify and declare any personal circumstances or interests that may be perceived as inappropriately influencing the representation or interpretation of clinical research.
Copyright
MDPI, the publisher of the Sciforum.net platform, is an open access publisher. We believe that authors should retain the copyright to their scholarly works. Hence, by submitting a Communication paper to this conference, you retain the copyright of your paper, but you grant MDPI the non-exclusive right to publish this paper online on the Sciforum.net platform. This means you can easily submit your paper to any scientific journal at a later stage and transfer the copyright to its publisher (if required by that publisher).
Video Submissions from Authors
By Stephanie Luedtke, Celine Bojo, Yunshen Li, Emilio Luna, Bianca Pomar, Zoran Radić
Related Paper:
Shifts in Cα backbone conformation in X-ray structures of human acetylcholinesterase covalently inhibited by organophosphorates and organophosphoramidates revealed by PACCT3 comparative analysis
List of accepted submissions (66)
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sciforum-034894 | Polyproline-rich Peptides Organize 4 Cholinesterase Subunits into A Tetramer; BChE and AChE Scavenge Polyproline Peptides Released during Metabolic Turnover | , | N/A |
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The genes for AChE and BChE encode the proteins responsible for enzyme activity. Additional gene products, PRiMA and PRaD, anchor AChE and BChE proteins into membranes. Soluble AChE and BChE tetramers are composed of 4 identical subunits plus one polyproline-rich peptide. Dilution does not release the polyproline-rich peptide from tetramers. However, protein denaturation, for example heating in a boiling water bath, dissociates the polyproline-rich peptide. Using mass spectrometry to sequence peptides released from soluble AChE and BChE tetramers, we find sequences that correspond to proline-rich regions from a variety of proteins. A typical peptide sequence contains 20 consecutive prolines in a 23-residue peptide LPPPPPPPPPPPPPPPPPPPPLP. There is no single, common consensus sequence i.e., no specific gene appears to be responsible for the polyproline-rich peptides found in soluble AChE and BChE tetramers. We propose that during metabolic turnover, protein fragments containing polyproline-rich sequences are scavenged by AChE and BChE dimers, to make stable AChE and BChE tetramers. The 40-residue, alpha-helical C-terminus of AChE or BChE is the tetramerization domain that binds the polyproline-rich peptide. Four parallel alpha helices wrap around a single antiparallel polyproline peptide to lock the tetramer in place. This organization was established by classical X-ray crystallography for isolated C-termini in complex with a proline-rich peptide. The organization was confirmed for intact, tetrameric BChE using cryoelectron microscopy. When 40 amino acids are deleted from the carboxy terminus, monomeric enzymes are created that retain full enzymatic activity. |
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sciforum-035209 | Cocrystals of Modafinil-Nicotinic acid:A Novel Cocrystal for Enhanced Bioavailability | , , , | N/A |
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Show Abstract |
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In this work, we are the first to identify and report pharmaceutically effective cocrystals of poorly soluble drug Modafinil (MOD) using crystal engineering approach. A multi-component system of MOD with nicotinic acid (NIC) as coformer at 1:1 molar ratio was prepared to simultaneously improve solubility, dissolution and bioavailability by applying liquid assistant grinding technique. Nicotinic acid as a potential coformer for cocrystal preparation was predicted using a novel approach of Hansen Solubility Parameter (HSP) group contribution method. Various evaluation parameters pertaining to confirm cocrystal formation like Fourier Transformer Infrared spectroscopy (FTIR), Differential Scanning Calorimetry (DSC), Powder X-Ray Diffraction (PXRD), and Field Emission Scanning Electron Microscopy (FESEM) were carried out. Further effect of precipitation inhibitors (HPMC) on in-vivo bioavailability enhancement was also studied. MOD-NIC cocrystals formation was confirmed by integrating results of instrumental techniques. Aqueous solubility and in-vivo pharmacokinetic study proved 5.96 and 1.88 times higher bioavailability respectively in case of prepared cocrystals compared to MOD alone whereas bioavailability further increased by 2.72 times when these cocrystals were administered in presence of precipitation inhibitor. Hence, solid state manipulation was successful for preparing modafinil cocrystals as a potential method for illustrating several properties. The concept of cocrystals coupled with precipitation inhibitors significantly enhanced the bioavailability of modafinil. |
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sciforum-035561 | Study of physical properties associated with some binary mixtures of chiral ferroelectric liquid crystalline compounds | , | N/A |
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Study of physical properties associated with some binary mixtures of chiral ferroelectric liquid crystalline compounds Barnali Barman*, Malay Kumar Das Department of Physics, University of North Bengal, 734 013, Siliguri, West Bengal, India *E-mail ID: barnalibarman1991@gmail.com Abstract Among the various advanced technological materials in the modern era; Liquid Crystals (LCs) has become one of the most important self-organizing molecular materials with their growing applications in the various field of science. The research associated with the Ferroelectric Liquid Crystals (FLCs) has become a subject of most intense area during the past few decades owing to their valuable intrinsic fundamental properties.At present their successful utilization in flat television screens, fast electro-optical switching devices etc. makes them extremely demandable in the commercial field. The fulfilment of this promise depends greatly on an improved understanding on the physical properties of the FLC materials. However no single materials can exhibit all the desired properties for different applications. In order to fulfil all the requirements of the device manufacturer; preparation of suitable binary mixtures is one of the most simple and elegant way in the field of LC Research. Keeping this in mind some mixtures have prepared by using pure chiral FLC compounds [1,2,3] and investigated in the light of the static dielectric permittivity (ε), dielectric anisotropy (∆ε), spontaneous polarization (Ps), response time (τ), torsional bulk viscosity (h) and dielectric spectroscopy. The temperature variation of Ps of the studied mixtures provides a preliminary idea about the order of the associated phase transitions namely SmA*-SmC* and N*-SmC*. The activation energy of all the mixtures have been determined from the best fitted Arrhenius plot. This assignment mainly contributes to the preparation and investigation of some smart multifunctional FLC mixtures aimed for optoelectronic and photonic applications. References [1]A.Bubnov,M.Kaspar,V.Novotna,V.Hamplova,M.Glogarova,N.Kapernaum,F.Giesselmann; Liq. Cryst.2008, 35, 1329-1337.doi.org/10.1080/02678290802585525. [2]B.Barman, B.Das, M.K.Das, V. Hamplová, A.Bubnov, Journal of Molecular Liquids.2019, 283.472-781. doi.org/10.1016/j.molliq.2019.03.071. [3]M.K.Das,B.Barman,B.Das,V.Hamplová,A.Bubnov,Crystals.2019,9,473;doi:10.3390/cryst9090473.
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sciforum-035588 | Hirshfeld surface analysis and energy framework for crystals of quinazoline methylidene bridged compounds | , , , , , , , | N/A |
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Among the drugs used worldwide, 50-60% are isolated or produced from plants; about half of these drugs are alkaloids or nitrogen-containing compounds. Within the alkaloids, quinazoline derivatives are of particular interest as they have a wide range of biological activity [1,2]. Their versatility stimulates the synthesis of new compounds containing the quinazoline fragment, with the aim of even increased biological activity. Continuing our research in this direction [3], the crystal structures of 3- (3,4-dimethoxyphenylethylamino)-methylidene-1,2,3,9-tetrahydropyrrolo [2,1-b] quinazolin-9-one (1) and 4-(3,4-dimethoxyphenylethylamino)-methylidene-2,3,4,10-tetrahydro-1H-pyrido [2,1-b] -quinazolin-10-one (2) were studied. The structures of compounds 1 and 2 were established by single crystal X-ray diffraction. Their molecular and crystal structures were described in the context of intra and inter-molecular interactions and of stereoisomerism. For molecular crystals, Hirshfeld surface analyses may provide insight into intermolecular interactions, and energy framework analyses allow to quantify different contributions to the overall energy. These analyses were performed to pinpoint intermolecular interactions in 1 and 2. According to our results, the molecules are associated by intra- and intermolecular hydrogen bonds, C—H···π and C—O···π stacking interactions. The three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint plots revealed that the structures are dominated by H···H, H···C/C···H and H···O/O···H contacts. The intermolecular energy analysis revealed a significant contribution of electrostatic and dispersion components for the stabilization of molecular packing. |
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sciforum-035720 | Steady-state and dynamic optimization of a combined cooling and antisolvent acetylsalicylic acid crystallization process | , | N/A |
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Design and optimisation are two important steps for crystallisation process. In this paper, the combined cooling and anti-solvent crystallisation of acetylsalicylic acid (ASA) in ethanol(solvent) and water(anti-solvent) mixture is studied by means of population balance modelling. An average crystal size of 387 is obtained from an optimised temperature, anti-solvent flow rate and residence time profile of three stages crystallisation process based on the steady state optimisation. An attainable region of average crystal size of different residence time is also developed which can provide help for crystallisation process design. Aiming at improving the benefit of crystallisation process, dynamic optimisation of start-up and shut-down process are also developed. By manipulating the anti-solvent flow rate profile, the start-up time is shortened to 86.62% in Strat up optimisation. Besides, the effect of seed on start-up time is also researched in the start-up optimisation. And in shut down process, additional quantity of crystal which meets the standard quality (average crystal size within 95%) is recycled by optimising the anti-solvent flow rate profile. This study shows that the optimisation of temperature, anti-solvent flow rate and residence time will strongly affect the crystal quality. And optimisation of anti-solvent flow rate, seeds and will also provide additional benefits in start-up and shut down of crystallisation process. |
Event Awards
The 2nd International Online Conference on Crystals –Best Paper Award
To acknowledge the support of the conference esteemed authors and recognize their outstanding scientific accomplishments, we are pleased to launch the Best Paper Award.
Best Paper Award (500 CHF)
The Best Paper Award is established to recognize the most significant contribution to the conference.
Terms and Conditions:
As a sponsor, Crystals would like to award the best paper as elected by all the conference committee. Two winners will each receive a cash award of 500 CHF and a award certification . For winner who gets the highest score, an opportunity to publish a paper in Crystals free of charge (a value of 1600 CHF) will be provided. We look forward to posting your contributions.
Criteria:
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Full paper must be submitted to E-conference 2020;
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Originality/Novelty of the paper;
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Significance of content;
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Scientific soundness;
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Interest to the readers;
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English language and style.
Evaluation
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Each Evaluation Committee member will give an assessment for each applicant in terms of the criteria outlined above;
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Total score for each presentation will be ranked, from highest to lowest;
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If two or more authors get the same score, further evaluation will be carried out;
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All decisions made by the Evaluation Committee are final.
The winner will be announced before the end of December 2020.
The Awards
Number of Awards Available: 1
Terms and Conditions: As a sponsor, Crystals would like to award the best paper as elected by all the conference committee. The winner will receive a cash award of 500 CHF and an opportunity to publish a paper in Crystals free of charge (a value of 1600 CHF). We look forward to posting your contributions. Criteria: • Full paper must be submitted to E-conference 2020; • Originality/Novelty of the paper; • Significance of Content; • Scientific Soundness; • Interest to the readers; • English language and style. Evaluation • Each Evaluation Committee member will give an assessment for each applicant in terms of the criteria outlined above; • Total score for each presentation will be ranked, from highest to lowest; • If two or more authors get the same score, further evaluation will be carried out; • All decisions made by the Evaluation Committee are final. The winner will be announced before the end of December 2020.Conference Secretary
Mr. Oscar Guo
MDPI Crystals Editorial Office
Email: iocc2020@mdpi.com
Ms. Chloe Li
MDPI - Multidisciplinary Digital Publishing Institute
Email: iocc2020@mdpi.com
A. Liquid Crystals
Session Information:
This session is dedicated to boosting rapid publication and providing a high quality medium for scientists and engineers working in liquid crystals and related fields, and to exchange knowledge and increase visibility of their studies for specialists in related areas of science and technology. Contributions on all aspects of liquid crystals will be considered. We invite investigators to submit manuscripts resulting from studies that explore all the aspects of liquid crystals and ordered fluids. Topics include, but are not limit to:
- molecular design and synthesis
- phase structures
- phase transitions
- optics and photonics
- electrical and mechanical properties
- device applications
Keywords: phase transitions; nematic; smectic; columnar phases; optics and photonics; bent-core; elastic behavior; viscoelastic behavior; dielectric and electric properties; chirality; ferroelectric, antiferroelectric, and ferrielectric properties; ferromagnetic liquid crystals; hydrodynamics; surfaces and interfaces; confined geometries; nanopatterning; nanoimaging; nanostructures; molecular design and synthesis; lyotropic liquid crystals; chromonic liquid crystals; discotic liquid crystals; composite systems; biological and biomimetic materials; elastomers; “smart” materials; displays; liquid crystal-based lasers; actuators; photovoltaics; defects; nanoparticles; colloids; novel experimental techniques; computer simulations; theory; actuators and motors; polymer liquid crystals; biaxiality; polar order; blue phases; chemical and biological sensors
Session Chair
Prof. Dr. Charles Rosenblatt, Ohio Eminent Scholar and Professor of Physics, Department of Physics, Case Western Reserve University Cleveland, OH 44106-7079, USA
B. Crystalline Materials
Session Information:
This session will provide a forum for contribution ranging from synthesis to characterization and modeling of crystalline materials. The synthesis of novel bulk or thin films structures can provide access to emerging properties not found otherwise, which will require the development of novel characterization approaches. Materials modeling, including the identification of novel materials systems and their atomic, electronic and photonic structures is used to correlated the synthesis with characterization. Contributions covering one or more of these aspects are encouraged.
Keywords: bulk synthesis, thin films, structural characterization, chemical characterization, optical characterization, electronic structure modeling, first principles modeling
Session Chair
Prof. Dr. Robert F. Klie, Department of Physics, University of Illinois at Chicago, 845 West Taylor Street, Chicago, IL 60607, USA
C. Crystal Engineering
Session Information:
The term crystal engineering is deeply associated with the early work of Gerhard Schmidt, who pioneered the use of X-ray diffraction to understand the growth mechanism of molecular (organic) crystals. Over the last 20 years or so, this term has been used extensively also to the growth of colloidal inorganic nanocrystals as well as for the high-temperature growth of inorganic nanocrystals and other crystalline materials. The availability of new tools, like Raman scattering, in-situ high-resolution electron microscopy, synchrotron radiation techniques as well as neutron spallation sources, provide powerful techniques for the understanding crystal growth on a molecular basis. Modern in-silico methods can elucidate the growth of crystallites to the finest detail and are invaluable tool for crystal engineering.
In the present session we will discuss different aspects of crystal engineering, including:
- Structure-property relationships for crystalline materials, including nanocrystals
- Techniques and methods to evaluate and characterize solids and their growth
- Supramolecular solid-state chemistry and organic crystals
- In-silico methods for the study of crystalline materials and growth
- Applications of solid-state and crystalline materials
- Applications of crystalline materials
Session Chair
Prof. Dr. Reshef Tenne, Department of Materials and Interfaces, Weizmann Institute, Rehovot 76100, Israel
D. Biomolecular Crystals
Section Information
Biomolecules are intimately linked to the development of life. Most of them use their intrinsic flexibility to perform their functions, giving rise to complex molecular mechanism responsible for the implementation of vital processes. Enzymes are today used for biotechnological solutions, immobilized on supports to mimic natural processes. In this section we are interested to biomolecules in their ordered state, where they are constrained in regular arrays forming a crystal lattice. Natural processes can lead to such a state, through biomineralization processes. Artificial processes to reach the challenging task of putting together flexible molecules in crystals with huge water content are also been conceived. Biomolecular crystals are propaedeutic to structural investigations, carried out by Crystallography in their latest advancement (serial Crystallography, time-resolved Crystallography, diffuse scattering analysis), but also represent a fantastic way to immobilize proteins to form biomimetic devices. While diffraction quality is the main crystal property to be optimized to obtain crystal structures at nearly atomic resolution, crystal stability and resistance to osmotic stresses are the main properties of biomolecular crystals to be used for biothecnological applications.
This session of the 2nd International Electronic Conference on Crystals will be focused on biomolecular crystals, specifically on design and application of novel crystallization methods, structural investigations on biomolecules by Crystallography, structural characterization of biomolecules in the crystal form by complementary techinques (for example X-ray absorption, X-ray fluorescence or Raman spectroscopy), biomineralization in living organisms, single-crystal and powder X-ray diffraction from small-molecule biocrystals, chemical and physical properties of biocrystals.
Keywords: biocrystals, protein crystals; Crystal growth, protein crystallography, crystal structure solution, biomineralization, cross-linked crystals, biomimetics, biotechnology, crystallization in vivo
Session Chair
Dr. Rocco Caliandro, Institute of Crystallography, CNR, Bari, Italy
E. Crystalline Minerals and Biominerals
Session Information:
This section covers all the aspects related to the structure, properties, function, and genesis of natural geogenic and biogenic materials as well as their synthetic analogs. Advancements in our understanding through experimental laboratory studies or computational simulations of structural state and stability, morphogenesis, self-organization, reactivity, kinetics and mechanisms of nucleation and growth processes, dissolution processes, and the dynamics and thermal behavior of minerals and biominerals are considered important. The potential applications or biological functions as well as the thermodynamic, mechanical, chemical, electronic, magnetic, or optical properties of minerals, biominerals and biomimetic materials will be also considered. In addition, the study of minerals as archives for diagnostic of environmental conditions and mineral/organism interaction as relevant to origin of life, evolution, and any process of coupling between life and the mineral world, are of interest.
Keywords: hierarchical architectures, mineral/biomolecule interactions, biomimetic synthesis, biomineralization, origin of life, nucleation and growth processes, biological regulation of mineral growth, carbonates, phosphates, self-organized materials, biomineralogy, bioinspired materials, biomimetic materials, environmental mineralogy, pathological biomineralization, calcium phosphate, biomaterials, nanomedicine, microbial activity on mineral surfaces, environmental and paleoenvironmental response and indicators, fundamental aspects of mineral processing.
Session Chair
Dr. Michele Iafisco, Laboratory of Bioceramics and Bio-hybrid Composites, CNR - Institute of Science and Technology for Ceramics. Via Granarolo, 64 I-48018 FAENZA (RA), Italy
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Submissions
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F. Phase Transformations in Crystalline Materials
Session Information:
This section aims at presenting new experimental and theoretical results about phase transformations in crystalline materials. As for the other session of this conference, it will also be an opportunity for boosting rapid publication in the domain. The session covers all the crystallographic aspects of phase transformations, which includes:
- Mineralogy
- Metallurgy
- Chemistry
- Diffusive transformations
- Lithiation, oxydation, reduction
- Order-disorder transformations
- Displacive transformations
- Martensitic transformations
- Massive transformations
- Deformation twins
- Annealing and growth twins
- Variants
- Ferroelectric domains
- Shape memory effects
- Characterization techniques
Keywords: phase transformations; phase transitions; diffusion; precipitation; twinning; martensite
Session Chair
Dr. Cyril Cayron, Swiss Federal Institute of Technology EPFL, Lausanne, Lausanne, Switzerland
G. Small and Wide Angle X-ray Scattering Applied to Nano- and Biomaterials
Session Information:
Small- and wide- angle X-ray scattering (SAXS/WAXS) techniques are widely used in several fields of materials science thanks to its capability to characterize the nanoscale and molecular structures in a variety of materials, such as biomacromolecules, liquid nanoparticle dispersions/colloids, nanocomposites, polymers, fiber-like materials, surfactants, microemulsions, liquid crystals, mesoporous materials as well as hybrid materials. The session also reflects recent progress in instrumentation and data analysis for SAXS/WAXS characterization
Keywords: SAXS/WAXS characterization, macromolecules, hybrid materials, biomaterials.
Session Chair
Dr. Teresa Sibillano, Consiglio Nazionale delle Ricerche, Rome, Italy
H. Software/Tools to Deal with Crystal and Crystallographic Issues & Teaching Crystallography
Session Information:
During the last two decades great advances not only in crystallographic methodologies and software but also in experimental devices and techniques have allowed to reach unexplored frontiers in crystal structure characterization, increasing the chances of determining crystal structure in the case of challenging samples, almost independently of the crystal size and the complexity of the investigated compounds, at least within a certain range, from nanomaterials to proteins.
This section is mainly dedicated to the latest advances in crystallographic software and tools and their applications to the structure determination of crystalline compounds. It covers all the steps to be carried out for studying a crystal structure: data collection, data reduction, structure determination, structure refinement, structure validation, molecular graphics.
Examples of applications of X-ray diffraction and synchrotron X-ray micro-diffraction are welcome, as well as applications of neutron diffraction, 3D electron diffraction and cryo-EM.
This section is also devoted to teaching crystallography with the awareness that its role is fundamental to supply an indispensable knowledge and fully exploit the potential of crystallographic software even with the aim to solve difficult non-standard cases of structure solution.
Keywords: crystallographic software; data collection; X-ray diffraction; neutron diffraction; 3D electron diffraction; synchrotron X-ray micro-diffraction, cryo-EM; data reduction; structure solution and refinement; molecular graphics; structure validation; teaching crystallography; crystallographic applets
Session Chair
Dr. Anna Moliterni, Institute of Crystallography (IC), CNR (National Research Council), Italy
I. Structure of Cholinesterases
Session Information:
Cholinesterases (ChEs), a family of α/ß hydrolase-fold proteins are amongst nature’s most efficient catalysts. Both acetylcholinesterase (AChE; EC 3.1.1.7) and butyrylcholinesterase (BChE; EC 3.1.1.8) catalyze hydrolysis of up to 10 000 molecules of neurotransmitter acetylcholine (ACh) per second, per active site, under optimal conditions. While optimal rates of hydrolysis by AChE are achieved at 1 mM ACh hydrolysis by BChE is optimal at ACh concentrations well above 10 mM. The functional difference, in spite of their nearly identical protein backbone fold, is reflection of the active center gorge being narrow and impacted in AChE while open and larger in BChE, as determined by substitution of more than dozen active center aromatic amino acid side-chains of AChE with smaller aliphatic ones in BChE. Both ChEs are glycoproteins with three to twelve N-linked oligosaccharides, human AChE has three and human BChE nine. Globular catalytic subunits of ChEs with MW of ~ 70k Da associate to form disulfide-linked homodimers that further reversibly associate as dimers of dimers.
Both ChEs are target of covalent environmental toxicants, such are organophosphates (OPs), pesticides and nerve agents. While inhibition of AChE can have lethal outcome, BChE predominantly found in blood, liver, kidney, intestine potentially serves as a natural stoichiometric OP bio-scavenger.
This session will address recent structural studies of both AChE and BChE aiming at both, understanding the structural basis for their exquisite catalytic power, as well as at providing realistic structural template for design of antidotes against OP intoxication. Analysis of both tertiary and quaternary structures will be discussed. Standard low-temperature X-ray crystallography, room temperature crystallography, as well as microgravity crystal growth will be discussed.
Keywords: acetylcholinesterase; butyrylcholinesterase; structure-based antidote design; microgravity crystal growth; room temperature X-ray crystallography; cholinesterase quaternary structure; cholinesterases
Session Chair
Professor Zoran Radić, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, CA 92093-0751