Complexes of gadolinium(III) with N-octanoyl-N-methylglucamine (L8) and N-decanoyl-N-methylglucamine (L10) with 1 : 2 stoichiometry were synthesized and characterized by elemental analysis, electrospray ionization-tandem mass spectrometry (ESI-MS), infrared (IR) spectroscopy, and molar conductivity measurements. The transverse (r 2) and longitudinal (r 1) relaxivity protons were measured at 20 ...

This paper presents the results of isotherm and basic (Δ H , Δ F, S ) thermodynamic characteristics ammonia adsorption in Na zeolites 2,87 ZSM-5 Li 3,37 ZSM-5; also is described by bulk micro-pore filling theory (BFM) equations. The correlation between adsorption-energy found, molecular mechanism whole region revealed. adsorbed NaZSM-5 LiZSM-5 located first coordination sphere with + cations, f...

In this issue of Molecular Cell, Roy et al. (2021) and Belan demonstrate that the yeast nematode RAD51 paralog complexes function as chaperones to promote assembly nucleoprotein filament on RPA-coated ssDNA.

Size-exclusion chromatography (SEC) and capillary zone electrophoresis (CZE) coupled with inductively coupled plasma mass spectrometry were applied to characterize low, medium, and high molecular weight cadmium complexes with glutathione and phytochelatins (PCs). The dominant stoichiometry of the complexes formed in vitro was established as 1:1 using electrospray ionization mass spectrometry. C...

first-principle calculations were carried out to investigate the adsorption of co over cun nanoclusters. the structural, spectroscopic and electronic properties like optimized geometries, homo (highest occupied molecular orbital) and lumo (lowest unoccupied molecular orbital) energy levels, binding energy, adsorption energy, vibrational frequency and density of states (doss) of the pure cun nan...

The quaternary structural relationships between subunits of the follitropin (FSH) receptor were determined through the use of the reversible, homobifunctional, chemical cross-linking reagent bis[2-(succinimidooxycarbonyloxy)ethyl]sulfone (BSOCOES) after formation of covalent 125I-azidobenzoyl-FSH-receptor subunit complexes by photoaffinity labeling. This experimental approach resulted in the fo...

Nitrogen reduction in mild conditions (room T and atmospheric P), using a non-fossil source of hydrogen remains challenge. Molecular metal complexes, notably Mo based, have recently shown to be active for such nitrogen fixation. In this work, we report about the electrochemical N2 splitting with MoIII triphosphino complex [(PPP)MoI3], at room temperature moderately negative potential. A MoIV ni...

Results of ab initio molecular orbital studies are presented for one elementary reaction and two full catalytic cycles of organo-transition metal complexes: (i) the oxidative addition of H-H, C-H, N-H, 0-H and Si-H bonds to CpRh(C0) in gas phase, (ii) the full catalytic cycle of hydroboration of olefin with Rh(PR3)2Cl, and (iii) the full catalytic cycle of hydroformylation of olefin with RhH(C0...

In this paper, the adsorption of CO on FexCuy (x + y = 3) clusters was studied by BPW91 method, and all conceivable geometries electronic states carbonyl complexes were explored. The results show that bimetallic tend to have higher stepwise energy than corresponding pure clusters, capacity FeCu2 with is substantially larger other complexes. bond length stretching indicated significantly weakene...

Transition metal complexes forming agostic interactions have been extensively surveyed. However, the dynamic behaviour of these interactions is less documented though it could be crucial in chemical processes. For this purpose, ab initio molecular dynamics simulations (AIMD) of some representative T-shaped Pt(II) complexes (quantum mechanics) have been performed in an explicit dichloromethane s...