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A green protocol has been developed for the preparation of 2,2′-(arylmethylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-ones) following the multicomponent condensation reaction between aromatic alde­hydes and dimedone with excellent yields. The reaction was carried out in water under microwave irradiation in the presence of montmorillonite KSF as a catalyst. The synthesized compounds were used for the functionaliza­tion of MCM-41 silica nanoparticles prepared by the modified Stober method.

A one-pot synthesis of new bis(polyfluoroalkyl)dialkylaminophosphoramidates (RF(CH2)2O)2P(O)NR2 (1–6) (RF = C6F13, NR2 = NC5H10 (1), NC4H8 (2), NEt2 (3); RF = C8F17, NR2 = NC5H10 (4), NC4H8 (5), NEt2 (6)) and polyfluoroalkyl bis(dialkylamino)phosphoramidates RF(CH2)2OP(O)(NR2)2 (9–14) (RF = C6F13, NR2 = NC5H10 (9), NC4H8 (10), NEt2 (11); RF = C8F17, NR2 = NC5H10 (12), NC4H8 (13), NEt2 (14)) was performed through phosphorylation of corresponding highly fluorinated alcohols with P(O)Cl3 in dry diethyl ether followed by aminolysis. However, the former phosphoramidates (1–6) and corresponding morpholinyl derivatives 7 and 8 were alternatively prepared in better yields from phosphoramidation reaction of bis(fluoroalkyl)phosphites with amines in the presence of I2 and H2O2 in dichloromethane. All these phosphoramidates were obtained in good yields and characterized by multinuclear (1H, 13C, 31P and 19F) NMR, IR spectroscopy and HRMS.

In this article, a theoretical study was performed in order to elucidate the adsorption mechanism of methylene blue (MB) on Cortaderia selloana flower spikes (FSs) and on Cortaderia selloana flower spikes derived carbon fibers (CFs). For this objective, the Hill model developed using grand canonical ensemble was successfully applied. This model represents the general case of Langmuir model assuming that the receptor sites of CFs and FSs accepts a variable number of MB molecules and is defined by the number of molecules captured per adsorbent site (n). Based on the model parameters, the MB adsorption geometry was described at different temperatures indicating that the MB molecules were fixed by an angled position on the investigated adsorbents. The elucidation of the adsorption capacity showed that CFs was more effective for removing MB from wastewater than FSs. This behavior was detailed and corroborated by an energetic investigation. Moreover, the adsorption energy varies from 22.187 to 25.378 kJ mol−1 for FSs and from 24.503 to 27.412 kJ mol−1 for the CFs reflecting a physisorption process. Interestingly, and based on this energetic investigation, it was deduced that the adsorption mechanism of MB was endothermic. Excellent correlation between the number of molecules captured by the receptor site, the adsorption capacity, and the adsorption energy was observed.

A series of new sulfoximine derived bis(fluoroalkyl)phosphoramidates of the type MeRS(O)NP(O)(ORF)2 (R = Me or Ph; RF = CH2CF3, CH2C2F5, CH(CF3)2, CH2CH2C6F13 or CH2CH2C8F17) have been synthesized from phosphoramidation reaction of sulfoximine with bis(polyfluoroalkyl)phosphites as phosphorylating agents. These fluoroalkyl phosphoramidates were characterized by multinuclear (1H, 13C, 19F and 31P) NMR, IR and elemental analyses. Different literature methods were examined; results showed that whilst the presence of fluoroalkoxy groups gave better reactivity than non fluorinated analogs in such reactions, the choice of the method for phosphoramidate formation depended upon the nature of both sulfoximine and fluoroalkoxy groups.

The statistical physics approach has been well studied by our research team for liquid and gaseous adsorption systems. This treatment is based on the grand canonical partition function to give new interpretations of the adsorption process at molecular level for chemical senses: olfaction and taste. This work represents a contribution to understand the olfaction mechanism of four of enantiomeric terpenes by applying a statistical physics treatment that allows giving a physico-chemical meaning to parameters involved in the analytical model. It is possible to estimate the number of adsorbed molecules per site, the anchorage number, the receptor density, the concentration at half saturation and the molar adsorption energy. Through this selection of the best fitting model and through fitted values of these parameters, we showed that the adsorption of carvone and limonene enantiomers is not a multilayer process but a monolayer monosite process (monolayer adsorption model with identical and independent sites (n ≠ 1)). The physico-chemical model parameters can be used for the energetic characterization of the interactions between the carvone and the limonene enantiomers and the human olfactory receptor OR1A1 and the determination of an olfactory band of order of 14 kJ/mol, 7 kJ/mol, 9 kJ/mol, 8 kJ/mol for (R)-(−)-carvone, (S)-(+)-carvone, (R)-(+)-limonene and (S)-(−)-limonene, respectively, through the determination of the adsorption energy values and the adsorption energy distributions (AEDs). Thanks to the grand canonical formalism in statistical physics, the negative values of the Gibbs free enthalpy indicate that the adsorption process of the four enantiomeric terpenes onto the human olfactory receptor OR1A1 was spontaneous. The exothermic adsorption mechanism involved in the olfactory perception was explained via the negative values of the internal energy.

Steric and energetic characterizations were performed for the adsorption of eugenol (EG), vanillin and ethyl vanillin (EV) onto the mouse eugenol olfactory receptor mOR-EG by using a proposed model expression established by statistical physics methods. We started with a modeling of dose-response curves. The calculated curves fit well the experimental data and the physico-chemical model parameters can be used for the characterization of the interactions between the eugenol, vanillin and ethyl vanillin molecules and the mouse eugenol receptor and the determination of the olfactory band for these three odorant molecules through the determination of the adsorption energy values and the adsorption energy distributions. Furthermore, thermodynamic functions of the odorant adsorption such as the configurational entropy, Gibbs free enthalpy and internal energy were calculated and their negative values indicate that the adsorption process included in the olfaction mechanism was exothermic and spontaneous nature.

Fiberboards were manufactured from filled phenolic resins (lignin-formaldehyde or glyoxal) and petiole date palm fibers. Lignin was obtained from paper industry waste black liquor. To improve lignin reactivity and increase the bonding strength between matrix and fiber, phosphogypsum (PG) was used as a filler in the resin formulation from 1 to 3 wt%. Phosphogypsum exhibited excellent performance as binder; this was verified by a decrease in the gelation time and an increase in internal bond (IB) in fiberboards. The analysis confirmed that resin reactivity depends on aldehyde types (glyoxal or formaldehyde) and PG proportion. Most of the obtained boards were of good quality [modulus of elasticity (MOE) up to 1230 MPa; modulus of rupture (MOR) up to 25 MPa; internal bond (IB) up to 0.23 MPa; water absorption (WA) up to 28%].

The Mg 50 Ni 45 Cr 5 alloy for hydrogen storage is prepared by mechanical alloying. First, using the X-ray diffraction (XRD) and the scanning electron microscopy (SEM) we examine the morphology and the structure of the substrate. The obtained results highlight the effectiveness of this alloy in loading hydrogen as it is a nanocrystalline and a ductile one. Second, we attempt to justify these expectations using the statistical physic, precisely the model monolayer with two levels of energy, in modeling a hydrogen absorption and desorption isotherms on Mg 50 Ni 45 Cr 5 alloy at four temperatures T = 275 K, T = 300 K, T = 325 K and T = 350 K. The model has six physicochemical parameters deduced from the fitting of the isotherms, they are divided by two categories of steric and energetic parameters. Thanks to these parameters we compare the absorption and desorption processes, in order to highlight the hysteresis phenomenon encountered during the hydrogen sorption.

Different composites panels were prepared using two granulometrys of fibers from date palm petiole (PDPF) and bio-matrix from lignin-glyoxal-resin (LGR). The composites panels were manufactured at different PDPF percentages ranging from 10 to 70 wt%. Mechanical properties of the prepared samples were evaluated by measuring tensile strength, Young`s modulus and elongation. The obtained results showed that the sample made from fibers/thermo pressed resin 50/50 wt% has the best mechanical properties. The increase of the granulometry of the fibers from 250 to 500 µm results in an improvement of the tensile strength and Young`s modulus values. However, the LGR matrix reinforced with PDPF showed high values of water diffusion coefficient when compared to the unreinforced LGR.

International audience; The synthesis of fluoroalkyl and non-fluorinated long chain alkyl ferrocenylphosphonates of the type FcP(O)(OR)2 (Fc: ferrocenyl; R = CH2CF3 (1), CH2C2F5 (2), Et (3) n-Hex (4), n-Hep (5) and n-Oct (6)) from reaction of ferrocene with corresponding phosphorochloridates is reported. The ferrocenyl phosphonates 1-4 were used as ligands, which reacted with tin(IV) chloride to produce the new complexes [SnCl4(1)2] (7), [SnCl4(2)2] (8), [SnCl4(3)2] (9) and [SnCl4(4)2] (10). All these ferrocenylphosphonate derivatives were characterized with multinuclear (1H, 13C, 19F, 31P and 119Sn) NMR, IR and UV-visible spectroscopic techniques. The electrochemical behavior of these compounds was investigated using cyclic voltammetry (CV); the results show that fluoroalkyl groups render the reverse one-electron transfer oxidation reaction more difficult (ΔE1/2 = 310–330 mV) as compared to non-fluorinated alkyl groups (ΔE1/2 = 215–261 mV). Preliminary results from CV measurements on the viability of ferrocenyl-containing tin(IV) complexes 7–10 as sensitizers for TiO2-based dye sensitized solar cells are also described.

Based on statistical physics elements, the equilibrium adsorption of diclofenac (DFC) and nimesulide (NM) on activated carbon was analyzed by a multilayer model with saturation. The paper aimed to describe experimentally and theoretically the adsorption process and study the effect of adsorbate size using the model parameters. From numerical simulation, the number of molecules per site showed that the adsorbate molecules (DFC and NM) were mostly anchored in both sides of the pore walls. The receptor sites density increase suggested that additional sites appeared during the process, to participate in DFC and NM adsorption. The description of the adsorption energy behavior indicated that the process was physisorption. Finally, by a model parameters correlation, the size effect of the adsorbate was deduced indicating that the molecule dimension has a negligible effect on the DFC and NM adsorption.

In Tunisia the Cenomanian-Turonian boundary coincides with the transition between two carbonate deposits: the Late Cenomanian Bahloul Formation at the bottom and the Early Turonian Gattar Member at the top. According to field study and microscope examination of the studied Formations throughout Tunisia, the Bahloul Formation consists of a deep-water condensed carbonate platform largely extended throughout Tunisia. Detailed analysis shows a particular richness in planktonic microfauna and ammonites. Thin bedded limestones within the Upper part exhibits a high TOC ratio and commonly called the black shales, whereas the Gattar Member displayed a rudist-bearing carbonate ramp which pinches northward while being progressively relayed by hemipelagic marls forming the so-called Annaba Member. The Cenomanian-Turonian transition was marked by relevant changes the main features of which are well recorded in the Tunisian carbonate platform. The changes consist of consecutive (i) shutdown and recovery of the carbonate factory and (ii) extinction, development and diversification of many faunal species. As matter of fact, during Late Cenomanian many planktonic foraminifers (Rotaliporidae) and rudists (Caprinidae) were extinct, and simultaneously the carbonate production rate fallen into 0.003–0.017 m k y −1. During Early Turonian the carbonate platform recovered contemporaneously with the development and diversification of many planktonic foraminifera and rudists (Hippuritidae); the carbonate productivity rose to 0.125 m k y −1 in average. The whole previous changes are to be linked with the significant sea-level fluctuation and the contemporaneous oceanic anoxic event (OAE2) having occurred at the Cenomanian-Turonian boundary.

International audience; Large mineral fillers have long been used in papermaking for many reasons. The finish of the writing and printing paper depends on using the fillers as internal or surface treatments. During this study, Tamarisk sp. and Prunus amygdalus pulp-filled papers with raw phosphogypsum (PG) and calcined PG (CPG) at different percentages were studied. First, the prepared minerals (treated and untreated ones) were characterized by different analytical methods such as SEM and EDS. Subsequently, different handsheets with a basis weight 60 g−2 were prepared on a Rapid Khöten sheet former following the standard method. The added amounts of PG and CPG fillers were included from 0% to 15% based on the pulp. The effects of incorporation as well as the quality fillers into physical and optical properties were assessed. It can be deduced that the incorporation of CPG at 800 °C improved filler retention by as high as 92%, and the optical properties of the filled paper was strikingly enhanced, while the strength properties were practically negatively influenced. It was clear that calcinationstepsreduce the fiber–filler–fiber bond. Thus, results are in accordance with the SEM observation, which confirmed the obtained physical properties.

Limited data about New Delhi metallo-β-lactamase (NDM) bacteremia are available. Blood isolates from 40 patients with NDM bacteremia were studied for antibiotic susceptibility and whole-genomic sequencing. NDM bacteremia has high 30-day mortality. In most cases, aztreonam-avibactam is active in vitro. Ceftazidime-avibactam plus aztreonam may represent a feasible therapeutic option.

In this paper, an adsorption modeling has been presented to describe the interactions of a binary mixture of l-muscone and d-muscone with the mouse muscone receptor MOR215-1. The formulation of the 2-dimensional monolayer models with identical and two types of sites for the perceived response of odor binary mixture odor are based on statistical physics and some theoretical hypothesis, in order to model pure and binary mixture dose-response curves. Thanks to the grand canonical ensemble of statistical physics, some pertinent physico-chemical parameters describing the adsorption process were introduced in the analytical model expressions. The results showed a high correlation of the 2-dimensional monolayer model using two types of sites with binary mixture of l-muscone and d-muscone response curve. In this model, six physico-chemical parameters derived from the fitting of the experimental data by a numerical simulation were discussed. Furthermore, these statistical physics models include physico-chemical parameters specific to the respective effects of each compound in the binary mixture, which may help to clarify the inhibitory effects that are often seen in l-muscone and d-muscone mixture through the determination of the involved new steric parameters. In addition, the calculation of the molar adsorption energies showed that the two muscone enantiomers and their racemic were physisorbed onto cell surface neurons.

Using the grand canonical ensemble in statistical physics, a hydrogen absorption and desorption isotherms on LaNi4.85 Al0.15 alloy have been modeled by a monolayer model with two level of energy. The model has six physicochemical parameters which are deduced from the fitting of the isotherms at three temperatures T = 298 K, T = 303 K and T = 313 K. These parameters were used to better understand and compare between the absorption and desorption phenomena. A macroscopic study is achieved through thermodynamic functions as the internal energy, the entropy, the free enthalpy, the chemical potential, the enthalpy, and the free energy. We proved the coexistence of the α and β phases during absorption process.

Modeling of absorption and desorption isotherms of hydrogen on LaNi4.85Al0.15 alloy at 298 K, 303 K and 313 K has been achieved through the use of grand canonical ensemble in statistical physics. In fact, a monolayer model with two levels of energy has been adopted to better fit the experimental data. Besides, six physicochemical parameters have been used to better describe the absorption and desorption processes from the point of view of α and β phases. These parameters are divided into two types. The first type of parameters contains four main parameters, namely the number of atoms per site, nα and nβ, and the densities of hydrogen receptor sites Nmα as well as Nmβ. The second type of parameters are mainly the two energetic parameters Pα and Pβ which respectively refer to the pressures at half saturations for the α phase and the β phase. Thanks to these steric and energetic parameters, we could compare the absorption and desorption processes to highlight the evolution of these parameters during hysteresis encountered in the desorption isotherms.

The olfactory response curves of muscone enantiomers on the mouse muscone receptor MOR215-1 modeling by a statistical physics treatment led us to better understand the olfactory phenomenon. Our objective in this modeling is to select an adequate model that presents a significant correlation with the olfactory response curves. The application of the grand canonical ensemble in statistical thermodynamics introduces some physico-chemical parameters in the theoretical model which allows to attain an expression of the single olfactory response Rsin. Fitting results showed that the muscone enantiomers ( l -muscone and d -muscone) followed an adsorption model with one monolayer onto identical sites. The calculation of the molar adsorption energy showed that the two muscone enantiomers were physisorbed onto cell surface neurons. Then, the configurational entropy which gave an idea about order and disorder, was calculated according to the appropriate model.

In this work, statistical physics treatment has been employed to understand the olfaction mechanism through the study of the dose-olfactory response of putative adsorption process of key food odorants onto the human olfactory receptor OR2W1. This is in order to obtain new steric and energetic characterizations at the molecular level of this chemical sense system. Three models have been proposed: a monolayer, a double layer and a three layers model. The monolayer model with identical and independent receptor sites has been chosen as an appropriate one to present a good correlation with the experimental dose-response curves. Indeed, the numerical values of the three fitted parameters (RM, n, C1/2) are used to characterize the size of the human olfactory receptor binding sites and the interactions between eight key food odorants i.e., (R)-(−)-carvone, (S)-(−)-limonene, (R)-(+)-limonene, 2-phenylethanthiol, 3-mercaptohexyl acetate, methyl cinnamate, cinnamyl acetate and 2-phenylethyl acetate and OR2W1 through the receptor site size distribution (RSD) and to determine an olfactory band of these odorants through the determination of the adsorption energy values and the adsorption energy distributions (AEDs).

The current research aims to use plants as substituent of chemical additives in the elimination of pollutants, therefore making polluting industries environmentally friendly. In the present work, the potential use of Stipa tenacissima (cultivated in the dry region of North Africa) in the removal of H2S in aqueous solution was investigated. The obtained experimental results showed successful elimination of H2S through reaction with Stipa tenacissima fibers in an alkaline aqueous medium. The effect of Stipa tenacissima’s mass, temperature ranging 20–60 °C, and aeration on sulfide removal efficiency was examined. The study clearly revealed that the aeration processes enhanced the removal reaction, and the increase in temperature gave a better removal rate with an optimal mass ratio of Stipa tenacissima of 0.1 g to eliminate 0.2 mg H2S.

In the present work the absorption of carbon dioxide in aqueous solution with Stipa tenacissima fibers has been studied in a stirred cell at 298 K. The obtained experimental results show successful elimination of CO 2 (96%)through hydration of neutral aqueous CO 2 molecules to HCO 3 − species by S. tenacissima fibers. This reactivity has been accompanied by a disorder at the surface morphology and a reduction in crystallinity % of cellulose results of the modification in hydrogen bonds. During the characterization Fourier Transform Infrared Spectroscopy (FTIR), X-ray diffraction (XRD), and scanning electron microscopy (SEM) were employed to investigate the structural and morphological changes in S. tenacissima fibers.

In the biosensor system, olfactory receptor sites could be activated by odorant molecules and then the biological interactions are converted into electrical signals by a signal transduction cascade that leads the toopening of ion channels, generating a current that leads into the cilia and depolarizes the membrane. The aim of this paper is to present a new investigation that allows determining the olfactory band using a monolayer adsorption with identical sites modeling which may also describe the static and the dynamic sensitivities through the expression of the olfactory response. Moreover, knowing the size of receptor site in olfactory sensory neurons provides valuable information about the relationship between molecular structure and biological activity. The determination of microreceptors and mesoreceptors is mostly carried out via physical adsorption and the radius is calculated using the Kelvin equation. The mean values of radius obtained from the maximum of the receptor size distributions peaks are 4 nm for l-muscone and 6 nm for d-muscone.

During the production of hydrocarbons from subterranean reservoirs, scaling with calcium carbonate and barium sulfate causes flux decline and dangerous problems in production facilities. This work is intended to study the effect of calcium ions on the precipitation of barium sulfate (barite); then, the effect of the formed barite on calcium carbonate crystallization. The conductometric and pH methods were used to follow the progress of the precipitation reaction in aqueous medium. The obtained precipitates were characterized by FTIR, RAMAN, SEM, and XRD. It was shown that Ca2+ in the reaction media does not affect the microstructure of barite even for higher calcium–barium molar ratio. It influences the precipitation kinetics and the solubility of barite by the formation of CaSO4° ion pairing as a predominant role of complex formation (CaSO4) and the increase of the ionic strength. In Ca(HCO3)2-BaSO4-NaCl aqueous system, experiments have showed that added or formed barite in the reaction media accelerates calcite precipitation. No effect on the microstructure of heterogeneous formed calcite which remain calcite shape. However the presence of carbonate ions affects slightly the microstructure of barite.

In this work, a LiK3P2O7 ceramic material was prepared by the solid-state reaction method and identified by X-ray diffractometry. The dielectric properties, impedance characteristics, and modulus were studied over a range of frequency (200 Hz to 5 MHz) and temperature (615–708 K). The frequency and temperature dependence of dielectric permittivity, dielectric loss, and electric modulus is studied. The frequency analysis of modulus properties showed a distribution of relaxation times. Conductivity plots against frequency at a higher frequency suggested the response obeying the universal power law. The temperature behavior of the frequency exponents shows that the correlated barrier hopping CBH model is well adapted to this material. The activation energy associated with the impedance relaxation and the electric modulus spectra is close to the activation energy for dc conductivity indicating the similar nature of relaxation and conductivity. Thermodynamic parameters such as free energy of activation, enthalpy, and entropy have been calculated.

Introduction Italy is still characterized by a mild iodine deficiency and is among the most intensive users of chemical products for agriculture in Europe. The aim of this study was i) to evaluate thyroid effects of exposure to mancozeb, a fungicide widely used in agriculture, in a sample of Italian grapevine workers, and ii) to verify whether the iodine intake may modulate the risk of thyroid disruption due to the mancozeb metabolite ethylenthiourea (ETU). Methods One hundred seventy-seven occupationally exposed male workers (29 from Chianti, a mild iodine deficient area, and 148 from Bolzano an iodine sufficient province) and 74 non-occupationally exposed male controls (34 from Chianti and 40 from Bolzano) were enrolled in the study. Serum biomarkers of thyroid function, as well as urinary iodine and ETU concentrations were assessed. Moreover all the recruited subjects underwent clinical examination and thyroid ultrasound. Results Multivariate comparisons showed lower mean serum levels of FT4 in Chianti-workers as compared to Bolzano-workers. Moreover, an increased urinary iodine excretion (>250 µg/L) was more frequently found among more exposed workers (ETU>20 µg/L) than among less exposed ones and this effect was more pronounced in Chianti- than in Bolzano-workers. Chianti-workers also showed a significantly higher frequency of very low thyroid volume (≤6.0 ml) as compared to controls. Conclusions These findings showed a mild thyroid disrupting effect due to occupational exposure to mancozeb, more pronounced in workers residing in an area characterized by a mild to moderate iodine deficiency as compared to workers residing in an area covered by a long-lasting iodine prophylaxis program.

The Mg50Ni45Ti5 alloy for the hydrogen storage is prepared by mechanical alloying. The structure and the morphology of the alloy are characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). These techniques esteemed that this alloy is a good candidate for hydrogen storage, since it is both nanocristallin and dsuctile. This is confirmed by the modeling of the hydrogen equilibrium pressure-composition-temperature (PCT) relationships for this alloy. These isotherms were experimentally generated for three temperatures 313 K, 327 K and 340 K and modeled through the statistical physics using the monolayer model with two energies levels. Energetic, steric and thermodynamic studies were released thanks to this model which proved the efficiency and the security of this alloy to the storage of hydrogen.

New transition metal complex of Cobalt(III) of the ligand (E)-3-(1-(2-aminoethylimino)ethyl)-4-hydroxy-2H-chromen-2-one, derived from condensation of ethylene diamine with 3-acetyl-4-hydroxy-chromene-2-one have been synthesized by reaction of cobalt(III) salt and the ligand, in amounts equal to metal-ligand molar ratio of 1:2. Both the Schiff base and the complex of Co(III) were characterized by IR, UV-Vis, 1H NMR- and 13C NMR-spectroscopy techniques. Single crystal X-ray diffraction investigation, at low temperature T = 120 K, shows that the cobalt complex is triclinic P-1, a = 10.426(5) A, b = 11.3234(2) A, c = 15.729(5) A, α(°) = 70.102(4), β(°) = 86.049(4), γ(°) = 82.497(4), Z = 2, and its structure consists of isolated [Co(III)(C13H13N2O3)2]+ complex cations with distorted octahedral geometry, ClO-4 counter anions, acetone solvent and water molecules. The crystal cohesion is stabilized by hydrogen bonds between ligands and water molecules, and ionic interactions between complex cations and counter anions.

New trinuclear mixed-valent CoIII-CoII-CoIII complexes with salen-type ligands have been synthesized and characterized both in the solid state and in solution. These complexescomprise a central CoCl2 unit connecting two [RCo(4,4′,7,7′tmsalen)] fragments with chlorides acting as bridging ligands between the metals, while the central CoII ion completes its octahedral coordination through the salen oxygen donors. Complex 1 (R = CH2Cl), which has cis Cl ligands at the central CoII ion, has approximate C2 symmetry, whereas the centrosymmetric complex 2 (R = CF3CH2) contains trans Cl ligands (C2h symmetry). Complexes 1 and 2 are paramagnetic with magnetic moments of 4.7 and 4.4 μB, respectively, which indicate the presence of a high-spin CoII center in the molecule. The 1H NMR spectra, which spread over a range of nearly 190 ppm, are consistent with the presence of both cis and trans isomers in solution (with cis being the prevailing species), and indicate that exchange is slow on the NMR time-scale. Isotropically shifted 1H NMR signals have been fully assigned by comparison with those of appropriately substituted complexes and by T1 measurements and 2D exchange experiments (EXSY). The K constant for the trans [rlarr2] cis equilibrium, as evaluated from the 1H NMR signal intensity ratio at various temperatures, has allowed us to estimate, at least qualitatively, the thermodynamic parameters ΔH° and ΔS°.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

Objective To assess the clinical effect of caudate-putaminal transplantation of fetal striatal tissue in Huntington9s disease (HD). Methods We carried out a follow-up study on 10 HD transplanted patients and 16 HD not-transplanted patients. All patients were evaluated with the Unified HD Rating Scale (UHDRS) whose change in motor, cognitive, behavioural and functional capacity total scores were considered as outcome measures. Grafted patients also received morphological and molecular neuroimaging. Results Patients were followed-up from disease onset for a total of 309.3 person-years (minimum 5.3, median 11.2 years, maximum 21.6 years). UHDRS scores have been available since 2004 (median time of 5.7 years since onset, minimum zero, maximum 17.2 years). Median post-transplantation follow-up was 4.3 years, minimum 2.8, maximum 5.1 years. Adjusted post-transplantation motor score deterioration rate was reduced compared to the pretransplantation period, and to that of not-transplanted patients by 0.9 unit/years (95% CI 0.2 to 1.6). Cognitive score deterioration was reduced of 2.7 unit/years (95% CI 0.1 to 5.3). For grafted patients the 2-year post-transplantation [ 18 F]fluorodeoxyglucose positron emission tomography (PET) showed striatal/cortical metabolic increase compared to the presurgical evaluation; 4-year post-transplantation PET values were slightly decreased, but remained higher than preoperatively. [ 123 I]iodobenzamide single photon emission CT demonstrated an increase in striatal D2-receptor density during postgrafting follow-up. Conclusions Grafted patients experienced a milder clinical course with less pronounced motor/cognitive decline and associated brain metabolism improvement. Life-time follow-up may ultimately clarify whether transplantation permanently modifies the natural course of the disease, allowing longer sojourn time at less severe clinical stage, and improvement of overall survival.

A new chalcone of the coumarin, C21H18O7, containing an annulated α-pyrone ring, was obtained by condensation of the borate complex of acyl(hydroxy)coumarin with trimethoxybenzaldehyde. The structure exhibits intramolecular hydrogen bonding between the hydroxyl oxygen and the ketonic oxygen in the coumarin group. The bicyclic coumarin fragment and the benzene ring form a dihedral angle of 17.1 (4)°. The crystal packing involves dimers interconnected by C—H...O hydrogen bonding.

Mesmo o Brasil sendo o maior produtor de feijão, é necessário importar para suprir a grande demanda interna, que é agravada pelas grandes perdas por infestações durante o armazenamento. Para combater estas perdas o processo de irradiação dos feijões é uma alternativa. Foram avaliadas as alterações que ocorreram em grãos de feijão preto crus e cozidos irradiados nas doses de 0, 2, 4, 6, 8 e 10kGy e avaliadas a quantidade de ferro, taninos e ácido fítico, a digestibilidade da proteína e a disponibilidade de ferro. Para o teor de ferro em grãos cozidos não houve variação (média de 118,17mg/Kg). Os teores encontrados de taninos para o cru não variaram com a intensidade radioativa, não sendo possível detecção nos cozidos. Quanto ao teor de ácido fítico, ocorreu diminuição da quantidade com aumento da irradiação nos grãos crus até dose 8kGy. A digestibilidade da proteína diminuiu nos feijões crus com o aumento da irradiação. Ocorreu crescente aumento na disponibilidade de ferro nos feijões crus irradiados (exceto na dose 8kGy), que não varia das doses 4 e 6kGy. Os resultados encontrados neste trabalho mostram que o processo de irradiação não compromete o valor nutricional do feijão preto. Even so Brazil be producer of bean, it is necessay import to supply the itern demand which is very big. The damage to swarm over during the storage occur with frequency. To battle this damages the process of irradiation of beans is an option. The modifications was evaluated in black beans crude and cooked irradiated with dosis of 0, 2, 4, 6, 8 and 10kGy and evaluated the iron quantity, tannin and phitic acid, protein digestibity and iron availability. The iron content of cooked beans was not variation (mean 118.17mg/kg). The content of tannin for crude bean was not variation with the intensity of radiation. The phitic acid content decreased its quantity with irradiation dosis increase at crude beans until dosis 8kGy. The protein digestibility decreased with the increase of irradiation dosis in crude beans. Iron availability increased with the dosis of irradiaton (Except in dosis 8kGy) and was not variation of dosis 4 and 6kGy. The results demonstrated that the nutritional value was not engaged for irradiation process of black beans.

Objective: To evaluate the frequency of JC polyomavirus (JCPyV) infection and anti-JCPyV antibodies in patients with multiple sclerosis under natalizumab therapy. Methods: Presence of anti-JCPyV antibodies and JCPyV DNA was analyzed in 39 patients with relapsing-remitting multiple sclerosis undergoing natalizumab therapy. Anti-JCPyV antibodies were evaluated in serum by a 2-step virus-like particle-based ELISA assay (Stratify), and JCPyV DNA was evaluated in peripheral blood mononuclear cells, plasma, and urine by quantitative PCR. The anti-JCPyV antibodies were evaluated in serum samples collected at the same time or later than those collected for DNA analysis. Results: JCPyV DNA was detected in 59% of patients, and anti-JCPyV antibodies were present in 67%. JCPyV DNA occurred more often in blood than in urine. Anti-JCPyV antibodies were observed in 70% of the JCPyV-infected patients, and JCPyV DNA was detected in 50% of the patients without anti-JCPyV antibodies. When JCPyV DNA was investigated in blood and urine the frequency of infection was higher than previously described. Conclusion: Under these experimental conditions, with respect to the observed frequency of JCPyV infection, the sensitivity of the anti-JCPyV antibody assay was lower than expected.