Crystal structures of two deca­vanadates(V) with penta­aqua­manganese(II) pendant groups: (NMe4)2[V10O28{Mn(H2O)5}2]·5H2O and [NH3C(CH2OH)3]2[V10O28{Mn(H2O)5}2]·2H2O

Two heterometallic decavanadate(V) compounds, bis(tetramethylammonium) decaaquadi-μ4-oxido-tetra-μ3-oxido-hexadeca-μ2-oxido-hexaoxidodimanganese(II)decavanadate(V) pentahydrate, (Me4N)2[V10O28{Mn(H2O)5}2]·5H2O, A, and bis{[tris(hydroxymethyl)methyl]ammonium} decaaquadi-μ4-oxido-tetra-μ3-oxido-hexadeca-μ2-oxido-hexaoxidodimanganese(II)decavanadate(V) dihydrate, [NH3C(CH2OH)3]2[V10O28{Mn(H2O)5}2]·2H2O, B, have been synthesized under mild reaction conditions in an aqueous medium. Both polyanions present two [Mn(OH2)5]2+ complex units bound to the decavanadate cluster through oxide bridges. In A, the decavanadate unit has 2/m symmetry, whereas in B it has twofold symmetry. Apart from this, the main differences between A and B rest on the organic cations, tetramethylammonium and [tris(hydroxymethyl)methyl]ammonium, respectively, and on the number and arrangement of the water molecules of crystallization. In both compounds, the H atoms from the coordinating water molecules participate in extensive three-dimensional hydrogen-bonding networks, which link the cluster units both directly and through solvent molecules and, in B, through the `tris' cation hydroxyl groups. The cation in B also participates in N—H...O hydrogen bonds. A number of C—H...O interactions are also observed in both structures

Rezultati post mortem analize koncentracije alkohola u krvi u Srbiji tokom 2011 godine

The prevalence of alcohol in blood samples from medicolegal autopsies performed in the Institute of Forensic Medicine in Belgrade, in 2011, was studied. In total, 293 blood samples were analyzed for alcohol by headspace gas chromatography. The blood alcohol concentrations were evaluated according to sex, age, and cause of death. The blood alcohol concentrations were . 0.5 g/L in 23.9% of the cases; in suicides 22.4%, accidents 34.4% and homicides 25.0%. The largest proportion of high BACs were found in the sample from subjects killed in traffic accidents. These findings confirm that alcohol use is an important factor in many fatal accidents, suicides and cases of violent death.U ovom radu su razmatrani rezultati post mortem koncentracije alkohola (BAC) u 293 uzorka krvi dobijena na osnovu sudsko-medicinskih autopsija sprovedenih na Institutu za sudsku medicinu u Beogradu tokom 2011. godine. Gasna hromatografija sa headspace tehnikom (HS GH) se koristi kao rutinska i referentna metoda za određivanje alkohola. Podaci su analizirani prema godištu i polu žrtve u trenutku smrti i prema uzroku smrti. Od ukupnog broja žrtava, svaka treća žrtva je bila pod uticajem alkohola u momentu smrti. BAC je bila - 0.5 g/L u 23.9% slučajeva, i to 22.4% kod samoubistava, 34.4% kod nesrećnih slučajeva i 25.0% u slučajevima ubistava. Najveći procenat visokih vrednosti BAC utvrđen je u uzorcima subjekata nastradalih u saobraćajnim nesrećama. Kod žrtava saobraćajnih nesreća, od 42 slučaja pozitivnih na alkohol, 26 žrtava ima koncentracija alkohola u krvi veću od 2 g/L. 90% žrtava pozitivno testiranih na alkohola su muškarci.Analiza pokazuje da je alkohol visok faktor rizika kod mnogih fatalnih nesreća, samoubistava i slučajeva nasilne smrti. Podaci izneti u ovom radu svakako bi trebalo da pomognu u razumevanju uloge alkohola u momentu smrti ali i da skrenu pažnju celom društvu u borbi protiv alkoholizma

Clinical significance of optimal red cell mass and plasma volume estimation methods

BACKGROUND: The aim of this study was to present and compare the results of proposed methods for optimal red cell mass and plasma volume (RCM&PV) estimation, and their influence on the interpretation of obtained results. MATERIAL AND METHODS: In 120/280 patients with polycythaemia rubra vera, subjected to RCM&PV determination with autologous erythrocytes in vitro labelled with 51Cr-sodium chromate, optimal volumes were determined using: 1. traditional ml/kg of: - the real body weight method (ml/kg RBW); - the optimal body weight method (ml/kg OBW). 2. the body weight, height, and sex based method (Retzlaff's tables), 3. the method recommended by the International Council for Standardization in Haematology (ICSH), based on body surface area. RESULTS: Different interpretation of the same results of 120 RCM&PV measurements was registered in 48/120 patients (40%). The greatest disagreement existed between ml/kg RBW and ml/kg OBW methods (in 39/120 subjects, 32.5%). In underweight patients the ml/kg RBW method, and in overweight patients the ml/kg OBW method, offered better agreement with ICSH&Retzlaff's methods. The ml/kg RBW method disagreed with ICSH&Retzlaff's methods and ml/kg OBW in 25% and 19.2% of patients respectively. ICSH and Retzlaff's methods disagreed in 10/120 patients (8.3%). The ICSH method yielded significantly lower optimal volumes than Retzlaff's. CONCLUSION: Three methods for optimal RCM&PV estimation lead to different interpretations of the same results of RCM&PV measurements with 51Cr-erythrocytes in 40% of patients. Two ml/kg body weight methods show greater disagreement in comparison with ICSH and Retzlaff's methods, which differ significantly. The ICSH method yields lower optimal values compared to Retzlaff's

Influence of heteropoly acids on rat synaptic plasma membrane atp -ase activity

The in vitro influence of 12-tungstosilicic acid (WSiA) and 12-tungstophosporic acid (WPA) on Na+/K+_ATPase activity, using rat synaptic plasma membrane (SPM) as a model system was investigated. The half-maximum inhibition (IC50) of the enzyme activity was achieved with 5.80⋅ 10-5mol/L of WPA and 1.17⋅10-4 mol/L of WSiA. The both examined compounds showed a dose-dependent inhibitory effect on the enzyme activity in the concentration higher than 1 μmol/L

Protein-Assisted Formation and Stabilization of Catalytically Active Polyoxometalate Species

International audienceThe effect of the protein environment on the formation and stabilization of an elusive catalytically active polyoxometalate (POM) species, K$_6$[Hf($\alpha_2$-P$_2$W$_{17}$O$_{61}$)] (1), is reported. In the co-crystal of hen egg-white lysozyme (HEWL) with 1, the catalytically active monomeric species is observed, originating from the dimeric 1:2 POM form, while it is intrinsically unstable under physiological pH conditions. The protein-assisted dissociation of the dimeric POM was rationalized by means of DFT calculations. The dissociation process is unfavorable in bulk water, but becomes favorable in the protein–POM complex due to the low dielectric response at the protein surface. The crystal structure shows that the monomeric form is stabilized by electrostatic and water-mediated hydrogen bonding interactions with the protein. It interacts at three distinct sites, close to the aspartate-containing hydrolysis sites, demonstrating high selectivity towards peptide bonds containing this residue

Prevalence of post-mortem blood alcohol concentration among deaths in Serbia during 2011

The prevalence of alcohol in blood samples from medicolegal autopsies performed in the Institute of Forensic Medicine in Belgrade, in 2011, was studied. In total, 293 blood samples were analyzed for alcohol by headspace gas chromatography. The blood alcohol concentrations were evaluated according to sex, age, and cause of death. The blood alcohol concentrations were . 0.5 g/L in 23.9% of the cases; in suicides 22.4%, accidents 34.4% and homicides 25.0%. The largest proportion of high BACs were found in the sample from subjects killed in traffic accidents. These findings confirm that alcohol use is an important factor in many fatal accidents, suicides and cases of violent death

NPLIN (Non-Photochemical Laser-Induced nucleation) of caffeine-gallic acid co-crystals in water, methanol and mixture of water methanol

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Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study

International audienceA high resolution X-ray diffraction study has been carried out on [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OCCH2CH3}2] (V6–C3) at 100 K. The V6 core possesses a negative charge, leading to a strong polarization of the anion. A nucleophilic region localized near the organic moiety and an electrophilic region in the vicinity of the V6 core provide an overall description of charge-transfer behavior

Reactivity of 12-tungstophosphoric acid and its inhibitor potency toward Na + /K + -ATPase: A combined 31 P NMR study, ab initio calculations and crystallographic analysis

International audienceInfluence of 12-tungstophosphoric acid (WPA) on conversion of adenosine triphosphate (ATP) to adenosine diphosphate (ADP) in the presence of Na + /K +-ATPase was monitored by 31 P NMR spectroscopy. It was shown that WPA exhibits inhibitory effect on Na + /K +-ATPase activity. In order to study WPA reactivity and inter-molecular interactions between WPA oxygen atoms and different proton donor types (D = O, N, C), we have considered data for WPA based compounds from the Cambridge Structural Database (CSD), the Crystallographic Open Database (COD) and the Inorganic Crystal Structure Database (ICSD). Binding properties of Keggin's anion in biological systems are illustrated using Protein Data Bank (PDB). This work constitutes the first determination of theoretical Bader charges on polyoxotungstate compound via the Atom In Molecule theory. An analysis of electrostatic potential maps at the molecular surface and charge of WPA, resulting from DFT calculations, suggests that the preferred protonation site corresponds to WPA bridging oxygen. These results enlightened WPA chemical reactivity and its potential biological applications such as the inhibition of the ATPase activity