Tuberculosis remains the most important communicable disease in the world. Tuberculosis (TB) is an infection, primarily in the lungs (a pneumonia), caused by bacteria called Mycobacterium tuberculosis. Along with the recent increase in cases of tuberculosis, there is a progressive increase in multidrug resistant (MDR) tuberculosis. It was declared since 1993 by the World Health Organization (WHO), a global health emergency. The resurgence of TB became a serious world-wide problem during the period 1985–1992, particularly in people infected with the human immunodeficiency virus (HIV). At present, TB kills four people every minute some-where in the world and accounts about two million deaths per year. Based on the trend over the past few years, a total of 225 million new cases and 79 million deaths are expected from tuberculosis between 1998 and 2030. Therefore, the increasing clinical importance of drug-resistant mycobacterial pathogens has lent additional urgency to microbiological research and new anti-mycobacterial compound development. For this purpose, new malonamic acid thiosemicarbazide derivatives were synthesized and evaluated for anti-tubercular activity. The 12 new synthesized thiosemicarbazides were prepared by the condensation of freshly distilled diethyl malonate and primary aromatic amine which furnished hydrazide and further these hydrazides were treated with phenylisothiocynate to obtain the title compounds. The structures were confirmed by their ¹H-NMR, IR and mass spectral data. Computational studies were undertaken to test the inhibitory effect of the synthesized molecule on protein kinase PKnB from Mycobacterium tuberculosis followed by anti-tubercular activity screening against H₃₇Rv employing REMA (Resazurin microtitre assay) method. Details of experimental procedure, purification, elemental and spectroscopic characterization, molecular docking and anti-mycobacterial screening methods will be presented during the meeting.

An efficient and convenient method has been developed for the synthesis of 2-amino-4H-tetrahydrobenzo[b]pyrans derivatives via one-pot , three-component condensation of malononitrile or ethyl cyanoacetete, dimedone and different aldehydes in the presence of a catalytic amount of potassium phthalimide-N-oxyl (POPINO), as a new organocatalyst, in aqueose media. A variety of 2-amino-tetrahydro[b]pyrans derivatives were obtained in high to excellent yield within short reaction times.

A new series of water-soluble benzo[a]phenoxazinium salts mono- or disubstituted with 3-chloropropyl groups at the amine of position 9, and also at the hydroxyl function of position 2, were synthesized. The interaction of these compounds with DNA phosphate was investigated. It was found that the functionalized terminal has a dramatic influence on the type of interaction with the amino group at the 9-position greatly promoting intercalation.

Fluorescent probes for labelling of biomolecules are widely used for various purposes. In this context we have efficiently synthesised a new benzo[a]phenoxazinium chloride possessing the 3-((3-chloropropyl)disulfanyl)propyl)amino group at position 5. The disulfide bond can be cleaved under mild basic conditions to afford the free thiol group, and consequently this heterocycle could act as a capping layer for the passivation of semiconductor QDs. The location of the new benzo[a]phenoxazinium chloride in AOT/cyclohexane was studied by fluorescence spectroscopy, since this microheterogeneous structures are frequently used for nanoparticle synthesis.

This article focuses on the synthesis of a new polymeric phosphors containing Tb⁺³ ions as a potential material for next generation optoelectronics devices. We are presented the results on the synthesis and luminescence properties of copolymers containing: 2-(9-carbazolyl)ethyl methacrylate (CEM) and p-methacryloyloxybenzoic acid (pMBA) complexed with Tb(III). All copolymers have been characterized by HNMR, GPC, FTIR and UV-Vis. Solutions of the copolymers in THF or CHCl₃ have been examined for their photoluminescence properties. Finally, the possibility of using these materials in optoelectronics were compared to those already synthesized.

The problem of tuberculosis (TB) drug resistance and the continuing rise in the disease incidence has prompted the research on new drug development as well as on increasing the understanding of the mechanisms of drug resistance. The full therapeutic possibilities of hydrazides were realized after the discovery of isonicotinic acid hydrazide (INH). Hydrazides and their derivatives have been described as useful synthons of various heterocyclic rings. Hydrazide-hydrazones have been reported to possess a wide variety of pharmacological activities such as anti-bacterial, anti-convulsant, anti-inflammatory, antitubercular, intestinal antiseptic, anti-depressant, or anti-platelet activity. A survey of literature reveals that extensive work has been done on the condensation products of hydrazides i.e. hydrazones, which exhibits a wide range of biological activity variations. These properties prompted us to synthesize some new malonamic acid hydrazones. Molecular docking was performed to study the binding activity of synthesized hydrazones onto the active site of Mycobacterium tuberculosis protein kinase B (PKnB) in an effort to increase the understanding of the action and resistance of synthesized hydrazone in this bacterium. Protein kinases B (PKnB) plays an important role in mammalian cellular signaling. Mycobacterium tuberculosis PknB is an essential receptor-like protein kinase involved in cell growth control. M. tuberculosis PKnB is a trans-membrane Ser/Thr protein kinase (STPK) highly conserved in Gram-positive bacteria and apparently essential for mycobacterial viability. We have attempted with the help of a docking approach to elucidate the extent of specificity of protein kinase B towards synthesized compound, as anti-tubercular agent. These newly synthesized compounds were screened for their anti-mycobacterial activities against Mycobacterium tuberculosis H37Rv using Resazurin micro-titre assay method. Details of synthetic methodology, characterization, computational and biological activity screenings will be presented during conference.

Design of Aromatic Aldehyde Chitosan Derivatives for biological and Industrial Applications S. Jatunov, A. Franconetti, M. Gómez-Guillén, and F. Cabrera-Escribano^* Departamento de Química Orgánica Facultad de Química, Universidad de Sevilla Apartado de Correos No. 1203, 41071 Sevilla, Spain. Fax: +34954624960; Tel: +34954556868. e-mail: fcabrera@us.es The chemical modification of polymers confers them new interesting properties.[1] Attaching fluorescent probes to a biopolymer for instance allows the use of the polymeric material as a biosensor or for half-life determination purposes of the material in which the fluorescent probe is incorporated. Furthermore, conferring hydrophobic properties to a dilute acid soluble polymer renders it insoluble in water and might give better structural qualities for industrial purposes.[2] Our research focuses on the modification of chitosan, a natural-based polymer obtained by alkaline deacetylation of chitin, which is nontoxic, biocompatible, and biodegradable. Numerous papers have been published on chitosan revealing multiple applications for this biopolymer.[3] Therefore, chemical modification can further expand or improve its utility. We attempted the synthesis of N-substituted chitosan derivatives 2-8 from diversely functionalized aromatic aldehydes, some of them showing fluorescence, others being hydrophobic molecules and others antimicrobial. The synthesis has been carried out by reductive amination of chitosan with substituted aromatic aldehydes and sodium cyanoborohydride as reducing agent. We have also modified the primary hydroxyl group of chitosan derivatives moiety into a carboxymethyl group for some biological applications in which water solubility is required. We have also studied the non-covalent and covalent interactions between the derivatives and chitosan through the IR, NMR, and HPLC/SEC techniques. Substitution degree of each derivative was quantified with liquid and/or solid NMR. We thank the AECID (Projects A/023577/09 and A/030422/10, and fellowship to one of us, S. J.) and the Junta de Andalucía (FQM 142 and Project P09-AGR-4597) for financial support. [1] A. Mahapatro (Ed.), Polymers for Biomedical Applications 2nd ed.; American Chemical Society, 2008. [2] Y. Gnanou, M. Fontanille, Organic and Physical Chemistry of Polymers, Wiley-Interscience, 2008. [3] Se-Kwon Kim (Ed.), Chitin, Chitosan, Oligosaccharides and Their Derivatives. Biological Activities and Applications, CRC Press Taylor & Francis Group, 2011.

The ternary semiconductor nanomaterials with the general formula of XY_mZ_n(X = Cu, Ag, Zn, Cd; Y = Ga, In; Z = S, Se, Te; m, n = integer)have got much attention due to considerable physical and chemical properties[1]. Ternary chalcogenides, particularly CuInS₂ (CIS) and AgInS₂ (AIS) have attracted a lot of attention because of their high extinction coefficients in visible and near-infrared region and conformity the direct band gap energy of them to the this region [2-5]. In this work, AgInS₂ (AIS) semiconductor nanorods were synthesized by an efficient and facile microwave heating technique using silver nitrate as silver source, Indium (ІII) chloride tetrahydrate as Indium source and thiourea as sulfur source. The reaction was performed using ethylene glycol (EG) as solvent and SDS as surfactant under microwave irradiation with the power of 600 W for 7 min.The product was characterized by X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR),Energy Dispersive X-ray analyze (EDX) and Transmission electron microscopy (TEM). Powder X-ray diffraction confirmed that the resultant product is a pure orthorhombic phase of AIS nanorods. TEM images presented the rod morphology for all of the obtained products in the arranged reaction conditions. References 1. Y. Akaki, S. Kurihara, M. Shirahama, K. Tsurugida, S. Seto, T. Kakeno, K. Yoshino, J. Phys. Chem. Solid, 66 (2005) 1858-1861. 2. T. Wada, H. Kinoshita, S. Kawata, Thin Solid Film, 431-432 (2003) 11-15. 3. B. Mao, C.-H. Chuang, J. Wang, C. Burda, J. Phys. Chem. C, 115 (2011) 8945-8954. 4. L. Tian, J.J. Vittal, New J. Chem., 31 (2007) 2083-2087. 5. K. Yoshino, H. Komaki, T. Kakeno, Y. Akaki, T. Ikari, J. Phys. Chem. Solid, 64 (2003) 1839-1842.

The aim of present work was to check the possibility of microwave irradiation application for benzylic oxidation of diphenylmethane. The investigations were carried out using tert-butyl hydroperoxide (TBHP) both under conventional and microwave conditions. The catalysts tested were chlorides of transition d-metals: FeCl₃·6H₂O, CoCl₂·6H₂O, NiCl₂·6H₂O, CrCl₃·6H₂O, CuCl₂·2H₂O, ZnCl₂ and iodine. From all studied metal catalysts, FeCl₃·6H₂O, CoCl₂·6H₂O, NiCl₂·6H₂O, CrCl₃·6H₂O showed the best catalytic activity.

A method for the calculation of connectivity indices of polymers was presented as useful tool for prediction of important properties of polymers. The proposed method makes it possible to correlate the chemical structure of molecules with large amount of information about their physical features.