Transmission of the spin-spin coupling constants through hydrogen bonds in ammonia clusters

Spin-spin coupling constants are reported using six ab initio and fifteen DFT methods for dimers and larger clusters of ammonia. An analysis of components (Fermi contact, spin dipole, paramagnetic spin-orbit, and diamagnetic spin-orbit) of more relevant coupling constants ¹J_NH′, ^1hJ_NH′ and ^2hJ_NN has been carried out. Fermi contact is the dominant term in the total value for all constants. For dimers, a relationship between the addition of direct and intermolecular coupling constants gives the direct constants of monomer. From the comparison of all ab initio and DFT methods for dimers, SOPPA(CCSD) and S55VWN5 methods are, respectively, more reliable taking into account their accuracy and the computing time. Both methods are employed for the analysis of the transmission of coupling constants through the hydrogen bond for ammonia clusters. A linear relation between the intermolecular constants ^1hJ_NH′ and the length of the hydrogen bond is found.     

以脉冲萃取柱利用三异辛胺从高浓度铀溶液中回收铀

利用三异辛胺(TOA)纯化Gattar小型试验工厂的高浓度铀溶液(洗脱液的铀浓度7 g·L^-1),研究了脉冲萃取柱的性能。利用实验室级脉冲萃取柱进行了实验室规模的溶剂萃取实验和后续实验。结果表明,在室温、pH=1和有机相与水相的比例(V_O/V_A)约为1.8：1时,加入二(2-乙基己基)磷酸(D2EHPA)使其与TOA的比例(V_D2EHPA/V_TOA)为2：3,可使萃取克服Cl-的抑制效应,提高效率。将结论用于考察试验工厂级萃取柱的流体力学和传质性能,结果表明用脉冲萃取柱萃取铀可以达到97%的萃取效率,具有可行性。     

Ultra-Sensitive Fluorimetric Method for the First Estimation of Vonoprazan in Real Human Plasma and Content Uniformity Test

Journal of Fluorescence - Vonoprazan (VON) has been approved recently via US-FDA in 2015 as the first in class of potassium competitive acid blocker group. VON is used for management of...     

Bioguided isolation of pentacyclic triterpenes from the leaves of Alstonia scholaris (Linn.) R. Br. growing in Egypt

Ethanolic and aqueous extracts of the leaves and flowers of Alstonia scholaris were evaluated for their antioxidant activity by investigating their effect on blood glutathione levels in alloxan-induced diabetic rats. The ethanolic extract of the leaves was the most active; therefore, its cytotoxicity against HepG2 cells was also tested. Promising GI?? values of 1.96, 4.34 and 4.65?μg?mL?1 were observed for the extract, its chloroform and ethyl acetate fractions, respectively. The chloroform active subfraction I (GI???=?2.97?μg?mL?1) yielded betulin (1), betulinic acid (2) and ursolic acid (3) upon purification. Compounds 1-3 were identified using spectroscopic techniques and by comparison with reported data. GLC of unsaponifiable and saponifiable fractions of the hexane extract revealed β-sitosterol (7.37%) and n-tetracosane (54.4%) to be the major sterol and hydrocarbon components, respectively. Linoleic acid (48.89%) was the predominant fatty acid.     

Chitosan/cyclodextrin nanoparticles as drug delivery system

One of the most attractive areas of research in drug delivery is the design of nanomedicines consisting of nanosystems that are able to deliver drugs to the right place, at appropriate time. Natural polysaccharides, due to their outstanding merits, have received more and more attention in the field of drug delivery systems. In particular, polysaccharides seem to be the most promising materials in the preparation of nanometric carriers. The main goal of the present study was to investigate the potential of a recent generation of hybrid polysaccharide nanocarriers, composed of chitosan (CS) and an anionic cyclodextrin, carboxymethyl-β-cyclodextrin (CM-β-CD), for the encapsulation of a model drug, sulindac. CS and CM-β-CD were processed to nanoparticles (NPs) via the ionotropic gelation technique. The stoichiometric ratio between these two polymers was found to influence particle size and zeta potential. Decreasing CS:CM-β-CD ratio led to an increase in particle size and decrease in zeta potential. DSC and FTIR analyses confirmed formation of NPs and encapsulation of sulindac inside them. Release profiles indicate a continuous release of the drug throughout 24?h. However, the rate of release was more rapid during the first hours; about 55–90% of the drug being released after 3?h.     

Effect of thermal dispersion on free convection in a fluid saturated porous medium

The present article considers a numerical study of thermal dispersion effect on the non-Darcy natural convection over a vertical flat plate in a fluid saturated porous medium. Forchheimer extension is considered in the flow equations. The coefficient of thermal diffusivity has been assumed to be the sum of molecular diffusivity and the dispersion thermal diffusivity due to mechanical dispersion. The non-dimensional governing equations are solved by the finite element method (FEM) with a Newton–Raphson solver. Numerical results for the details of the stream function, velocity and temperature contours and profiles as well as heat transfer rates in terms of Nusselt number are obtained. The study shows that the increase in thermal dispersion coefficient of the porous medium results in more heat energy to disperse away in the normal direction to the wall. This induces more fluid to flow along the wall, enhancing the heat transfer coefficient particularly near the wall.     

An Interaction Value Perspective on Firms of Differing Size

We present a general model of a network of interacting individuals, each of whom derives a known, real-valued benefit from each possible dyadic interaction. The model views interactions as knowledge-transfer exchanges that add value to the organization. We use this model to derive interaction patterns within an organization. We assume that the value of dyadic interaction benefits is distributed as a randomly permuted geometric series. Moreover, interactions only add value when a large enough waiting period is observed between interaction attempts. We show that an organization optimized for knowledge transfer has a distribution of interaction frequencies which correlates well with observations. Organizations of differing sizes can have similar optimal structures as long they have similar normalized levels of interdependence between interactions, and distribution of interaction benefit values. This research has implications for the design of communication infrastructure in a growing organization, as well as for the predictive value of modeling organizations at different scales.     

On the Quasi-Static Evolution of Nonequilibrium Steady States

The quasi-static evolution of steady states far from equilibrium is investigated from the point of view of quantum statistical mechanics. As a concrete example of a thermodynamic system, a two-level quantum dot coupled to several reservoirs of free fermions at different temperatures is considered. A novel adiabatic theorem for unbounded and nonnormal generators of evolution is proven and applied to study the quasi-static evolution of the nonequilibrium steady state (NESS) of the coupled system. Submitted: April 23, 2006. Accepted: October 4, 2006.