2,2´-(2-(2-hydroxyphenyl)imidazolidin-1,3-diyl)diethanol(H3L) was obtained by condensation between 2-hydroxybenzaldehyde and N,N'-bis(2-hydroxyethyl)ethylenediamine. Its potential ability as NNOOO donor towards ZnII was tested. This study shows that zinc(II) mediates the fast hydrolysis of H3L, yielding the free aldehyde and amine. This latter was crystallographically characterised, showing a supramolecular 1D architecture based on hydrogen bond interactions.

Porphyrins are 'the pigments of life', having a 2D 18 π-electron structure, and they play an important role in many biological processes such as substrate oxidation reactions, oxygen transport and photosynthesis.In present work the synthesis and characterized of 5,10,15,20-tetrakis(4-tolyl)porphyrin [H2TTP] and its metal complexes with tin and cobalt was investigated. H2TTP complex was characterized by UV-vis, FT-IR and H NMR spectra. The photodynamic degradation activity of this compound was investigated by destruction of methylene blue under visible light irradiation. H2TTP was prepared by refluxing pyrrole and 4-methylbenzaldehyde in propionic acid. The product was obtained by filteration and washed with DI. To prepare tin complex, H2TTP, SnCl2.2H2O and pyridine were refluxed for 6h at 120˚C. The complex was obtained with filtration.To prepare Cobalt complex, CoCl2.6H2O and H2TTP were dissolved in DMSO, followed by refluxing for 24 h. Then the product was purified by HCl and NaOH and was obtained by filtration and dried in vacuo. The photodegradation results showed that the synthesized porphyrin is able to absorb visible light and play as a light harvesting agent.

In our previous researches (see ECSOC-16, 2012) we found the interesting dependencies of the protons chemical shift values in unsubstituted, 1-monomethyl- and 1,1-dimethylsubstituted arylpropanes Ar-C1R1R2-C2H22–C3H33 NMR 1H spectra upon the number of methyl groups R. In continuation of this topic we investigate the similar dependencies in 1,1,2,2-tetrasubstituted arylpropanes. In this paper we describe results for forty families of 1,1,2,2-tetrasubstituted arylpropanes of general formula Ar-C1R1Y-C2R2Z–C3H33 with various types of R1, R2, Y, Z substituents. We suppose that under recording spectra conditions the intramolecular interaction between unbound by chemical bonds aryl fragment (Ar) and studied methyl group (C3H33) take place. This interaction leads to change of studied methyl group (C3H33) chemical shift value, which we investigate. For this purpose we have analyzed the literature 1H NMR spectral data of C3H33 proton chemical shifts in these compounds. We calculate the differences between the C3H33 chemical shifts of studied 1,1,2,2-tetrasubstituted arylpropane and two different etalon (reference) compounds. Previously, we found that the optimal "desired" standard etalon compound and additional etalon compound are respectively tetrasubstituted pentane of general formula H5C2– C1YR1 – C2ZR2 – C3H3 and propanol of general formula HO – C1YR1 – C2ZR2 – C3H3. In the absence in used literature sources the spectral data for the "desired" etalon compounds (standard and additional), we used the appropriate parameter of similar in structure substances, named as "forced" etalon compounds (standard and additional). The chemical shifts (base spectral parameters) of the studied methyl group of all 40 families of compounds Ar-C1R1Y-C2R2Z–C3H33 are in the range from 0.4 ppm to 1.7 ppm. Using differential parameters allows us to compare such compounds families, in which studied chemical shifts are equal to, for example, 0.5 ppm and 1.5 ppm. We calculate and discuss the mean base and differential spectral parameter values for all 40 families of compounds Ar-C1R1Y-C2R2Z–C3H33. There were founded some interesting regularities of influence of substituents (particularly those containing heteroatoms) R1, R2, Y, Z location and structure on studied methyl group (C3H33) chemical shift value.

A short and flexible procedure for the preparation of 7 chiral azolinium and 5 functionalized chiral azolinium salts, precursors to N-heterocyclic carbenes, derived from L-proline has been developed. Moderate to good overall yields were obtained. Some NHC dimers and thiones were isolated. X-ray structure determinations of two [Rh-NHC] complexes were also reported.

Photocatalytic degredration of organic pollutants by using sulfur/reduced graphene oxide composite has interested much attention from researchers due to specific properties of graphene such as high thermal conductivity and temperature stability. In this paper, graphene oxide was prepared by Hummer's and Offman method, graphene oxide sheets were reduced to graphene via green chemistry method. Sulfur/reduced graphene oxide (S/RGO) composite has been synthesized using a facile and low cost method with thiosulfate and graphene oxide (GO) as precursors. The photocatalyst powders were characterized by Fourier transform spectroscopy (FT-IR), UV-Vis diffuse reflectance spectroscopy (DRS), X-ray diffraction (XRD) and scanning electron microscopy (SEM) images. Photocatalytic activity of S/RGO composite was evaluated by photodegradation of methylene blue and crystal violet. Compared to pure sulfur and pure graphene, the as-prepared S/RGO composite showed much enhanced photocatalytic activity for the degradation of methylene blue and crystal violet under visible LED light irradiation. The results indicate that the incorporation of graphene with sulfur results in a more effective environmental photocatalytic applications.

The discharge of dye effluents from textile, cosmetic and food industries into the aquatic environment is a serious environmental concern. Most of the dyes are difficult to decomposing to its highly toxic and chemically stable nature. In recent decades, photocatalysis using semiconductor nanoparticles has been received tremendous attention for the degradation and mineralization of variety of organic pollutants (dyes, phenols, pesticides and pharmaceuticals) in aqueous media. In the past few years, CuO has attracted increasing interest for both fundamental and practical reasons. It has been shown that CuO is an important industrial material that can be widely used in applications such as gas sensors, magnetic storage media, solar-energy transformation, electronics, semiconductors, varistors, and catalysis. CuO is a p-type semiconductor. The direct band gap energy of CuO nanorods is evaluated to be 2.75 eV (450.85161nm). We use a simple wet-chemical method for preparing CuO nanorods in the presence of a nonionic surfactant, polyethylene glycol (PEG; Mw= 20 000). This method requires neither complex apparatus nor long synthesis times. CuO nanorods can be prepared easily and effectively without complicated control of the reaction conditions. Cuo do not destroy methylen blue in visible light well. Beacuse its band gap almost is on violet region. We synthesized Cuo functionalized with porphyrin for first time. Tetrakis (4-carboxyphenyl) porphyrin (TCPP) was prepared by reflaxing 4-Carboxybenzaldehyde and pyrrole in propionic acid. The photocatalytic activity of synthesized catalyst was investigated in degradation of methylene blue under visible light irradiation.

In recent years, the development of indium-mediated synthetic methods has grown up in the literature due to the special properties of indium metal. In this respect, we have established that this metal is a promoter of the solvent-free reaction of acid chlorides with arylstannanes applied to the synthesis of hindered benzophenones and alkyl aryl ketones under ultrasound irradiation. In this work, the reaction of acid chlorides with benzyltributyltin was successfully conducted in the presence of indium powder under solvent-free condition. The corresponding benzyl ketone products were obtained in good to excellent isolated yields (60-85%). Under ultrasonic irradiation the reaction times are significantly reduced from 2-3 h to 10-20 min without affecting yields. We carried out control experiments which showed that no reaction ocurred in the absence of indium, indicating that the metal acts as a promoter for this reaction. Working with dibenzyldibutyltin as substrate it is possible to transfer two benzyl groups from tin, thus improving effective mass yield. Benzyltriphenyltin affored the desired ketone although in moderate yield (45%).

Chemosensors are a subject of great interest and in recent years great efforts have been made to develop fluorescent probes that are capable of detecting ions with high sensitivity and selectivity. The ideal fluorophore for chemosensory application should have high fluorescence quantum yield, high molar extinction coefficients, long-wavelengths of excitation and emission, long service life and high photostability.[1]The imidazole nucleus plays an important role in medicinal chemistry and in biochemical processes as structural component of several biomolecules and has varied pharmacological activities.[2] Earlier studies reported by us showed that the optical and thermal properties of imidazole derivatives could be tuned by substitution of aryl groups at positions 2, 4 and 5 by five-membered heterocycles giving rise to innovative applications of these p-conjugated systems in nonlinear optics, chemosensors and DNA intercalators.[3]In this communication, we report the synthesis of new diphenylimidazoles in order to evaluate their photophysical properties and chemosensory ability. Therefore, imidazole derivative 2 bearing an heterocyclic π-bridge as well as the corresponding N-alkylated compound 3 were obtained in good yields through a Radziszewski reaction. The new derivatives were characterized by the usual techniques and a detailed photophysical study was undertaken. The evaluation of the compounds as fluorimetric chemosensors was carried out by performing spectrofluorimetric titrations in acetonitrile in the presence of relevant organic and inorganic anions, and of alkaline, alkaline-earth and transition metal cations.  Acknowledgements: Thank are due to Fundação para a Ciência e Tecnologia (Portugal) and FEDER-COMPETE for financial support through Centro de Química (PEst-C/QUI/UI0686/2013 (FCOMP-01-0124-FEDER-037302)) and Centro de Física [PTDC/CTM/105597/2008 (FCOMP-01-0124-FEDER-009457)], and a PhD grant to R.C.M. Ferreira (SFRH/BD/86408/2012). The NMR spectrometer Bruker Avance III 400 is part of the National NMR Network and was purchased with funds from FCT and FEDER. We are also grateful to the Instituto da Educação of Universidade do Minho for providing the laboratory infrastructure necessary for the development of this work.  References:1. Martinez-Mãnez R.; Sancennon, F. Chem. Rev. 2003,103, 4419.2 a) Rani N.; Sharma A.; Gupta G.K.; Singh R. Mini-rev. Med. Chem. 2013, 13, 1626.  b) Bellina F.; Cauteruccio S.; Rossi R. Tetrahedron 2007, 63, 4571. 3 a) Batista R. M. F.; Costa S. P. G.; Belsley M.; Lodeiro C.; Raposo M. M. M. Tetrahedron 2008, 64, 9230. b) Pedras B.; Batista R. M. F.; Tormo L.; Costa S. P. G.; Raposo M. M. M.; Orellana G.; Capelo J. L.; Lodeiro C. Inorg. Chim. Acta 2012, 381, 95. c) Batista R. M. F.; Costa S. P. G.; Raposo M. M. M. J. Photochem. Photobiol. Chem. 2013, 259, 33.

We have used computational chemistry methods to aid the rational design of long-wave length absorbing and emitting organic materials. For this purpose, the vertical electronic transition energies of 3,4-dicyano carbostyriles (quinolone-2(1H)-ones) substituted by electron-donating substituents (methoxy,methylamino, dimethylamino) at positions 6 and 7, are calculated by time-dependent density functional theory (B3LYP) within the Tamm-Dancoff approximation. Bulk solvent effects (CH3CN, DMSO, H2O)were taken into account by the CPCM solvation model. Particular long-wavelength absorption ( ~ 540 nm) is found for derivatives containing an amino group in position 6 irrespective of whether a 7-methoxy or an 7-amino group is present. In contrast, considerably shorter wave length absorption ( ~ 440 nm) results for 6-methoxy-7-amino substituted carbostyrils. Optimization of the first excited singlet state of 6-dimethylamino substituted carbostyrils leads to a perpendicular arrangement of the (CH3)2N – group with respect to the heterocyclic ring system leading to an extremely low electronic transition energy (1000 – 1500 nm) with vanishingly small intensity (oscillator strength f < 0.000). 6-Methoxy-7-amino substituted carbostyrils are predicted to emit at 490 – 520 nm. An especially long-wave length fluorescence ( ~ 660 nm) is calculated for 6-amino-7-methoxy- as well as 6,7-bis(methylamino)-3,4-dicyanocarbostyril.

Alzheimer's Disease (AD), Parkinson, and other neurodegenerative diseases are a major health problem nowadays. In this sense, the discovery of new drugs for neurodiseases treatment is a goal of the major importance. Public databases, like ChEMBL, contain a large amount of data about multiplexing assays of inhibitors of a group of enzymes with special relevance in central nervous system. Mono Amino Oxidases (MAOs), Acetyl Cholinesterase (AChE), Glycogen Synthase Kinase-3 (GSK-3), AChE (AChE), and 5α-reductases (5αRs). This data conform an important information source for the application of multi-target computational models. However, almost all the computational models known focus in only one target. In this work, we developed mt-QSAR for inhibitors of 8 different enzymes promising in the treatment of different neurodiseases. In so doing, we combined by the first time the software DRAGON with Moving Average parameters with this objective. The best DRAGON model found predict with very high accuracy, specificity, and sensitivity >90% a very large data set >10000 cases in training and validation series. We also report experimental results about the assay of several 7H-benzo[e]perimidin-7-one derivatives as possible MAO-A inhibitors. Last, we used these compounds in the model to predict the activity of against other targets