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Confined Polar Mixtures within Cylindrical Nanocavities
Using molecular dynamics experiments, we have extended our previous analysis of equimolar mixtures of water and acetonitrile confined between silica walls [J. Phys. Chem. B... -
Aryl Bridged 1-Hydroxypyridin-2-one: Effect of the Bridge on the Eu(III) Sens...
The efficiency of Eu3+ luminescence by energy transfer from an antenna ligand can be strongly dependent on the metal ion coordination geometry. The geometric component of the... -
Calibration of ion effective temperatures achieved by resonant activation in ...
The present paper describes a calibration of the ion effective temperatures as a function of the resonant activation amplitude in a quadrupole ion trap mass spectrometer. MS/MS... -
Hybrid-DFT Study on Electronic Structures of the Active Site of Sweet Potato ...
The electronic structure and magnetic interactions of the active site of sweet potato purple acid phosphatase (PAP) were investigated by using UHF, pure DFT (UBLYP), and hybrid... -
r37980778c78--1e1567bea2bd276f767b521dce027604
The objective of this paper was to investigate the impact of wettability of porous media on pore-scale characteristics of residual nonaqueous phase liquids (NAPLs). Synchrotron... -
Metal−Metal Multiple Bonds in Early/Late Heterobimetallics Support Unusual Tr...
Reduction of Zr/Co heterobimetallic complexes ICo(MesNPiPr2)3ZrCl (1) and ICo(iPrNPiPr2)3ZrCl (2) with excess Na/Hg under N2, followed by subsequent benzene extraction to remove... -
Visible Light-Induced Efficient Contaminant Removal by Bi<sub>5</sub>O<sub>7<...
A new visible light-driven photocatalyst, Bi5O7I, prepared by a hydrothermal method was studied. The as-prepared Bi5O7I exhibited efficient photocatalytic activity in the... -
Pore Shape Affects Spontaneous Charge Redistribution in Small Pores
A complete understanding of charge redistribution (spontaneous movement of charge once the system has been placed on open-circuit) in porous materials is desirable because... -
r37980778c78--45c77806280e278526960e808d2b7b2b
Electrolysis of benzylthiocyanate, benzyl chloride, p-methylbenzyl chloride, p-methoxybenzyl chloride, or toluene in acetonitrile, at platinum electrodes in a two compartments... -
Extension of a Charged Anisotropic United Atoms Model to Polycyclic Aromatic ...
A new potential model for polycyclic aromatic hydrocarbons has been developed on the basis of a charged anisotropic united atoms (AUA) potential with six AUA force centers and... -
Highly Luminescent, Triple- and Quadruple-Stranded, Dinuclear Eu, Nd, and Sm(...
The bis(β-diketone) ligands 1,3-bis(3-phenyl-3-oxopropanoyl)benzene, H2L1 and 1,3-bis(3-phenyl-3-oxopropanoyl) 5-ethoxy-benzene, H2L2, have been prepared for the examination of... -
Influência da aplicação de filtros digitais no contraste de imagens mamográfi...
Breast cancer is a major public health problem with high occurrence worldwide. Mammography is the main radiological exam in the screening of this cancer, and recently, the... -
r37980778c78--5fe59bfba7121a460f69b0890ca06046
Reversible Mechanochromic Luminescence of [(C6F5Au)2(μ-1,4-Diisocyanobenzene)] -
Structure-activity relationships of phenyl-furanyl-rhodanines as inhibitors o...
The dramatic rise of antibiotic-resistant bacteria over the past two decades has stressed the need for completely novel classes of antibacterial agents. Accordingly, recent... -
r37980778c78--b5fcbcf487190be0fd83dd32b2ca65c5
We present a thermodynamic model of adsorption-induced deformation of microporous carbons. The model represents the carbon structure as a macroscopically isotropic disordered... -
Unimolecular HCl Elimination from 1,2-Dichloroethane: A Single Pulse Shock T...
Thermal decomposition of 1,2-dichloroethane (1,2-DCE) has been studied in the temperature range of 1050−1175 K behind reflected shock waves in a single pulse shock tube. The... -
Morphology-Tuned Synthesis of Single-Crystalline V<sub>5</sub>Si<sub>3</sub> ...
We report the morphology-tuned synthesis of single-crystalline V5Si3 nanotubes and nanowires. Free-standing hexagonal V5Si3 nanostructures are grown on a vanadium foil substrate... -
Alkaline-Earth Metal Mercury Intermetallics <i>A</i><sub>11−<i>x</i></sub>Hg<...
Re-examination of the mercury-rich regions of the Ca−Hg and Sr−Hg phase diagrams has shown that the phases previously identified as “AHg3.6” should be reformulated as... -
r37980778c78--d1bfb7661c219b26839ddb91e0e85b6b
l-Glycals can be prepared in seven steps from readily available d-glucals, enabling the facile construction of mirror-image carbohydrates such as the l-lactosamine derivative... -
Novel Functionally Grafted Pseudo-Semi-interpenetrating Networks Constructed ...
This paper describes the synthesis of amphiphilic pseudo-semi-interpenetrating polymer networks (pseudo-semi-IPNs) containing linear poly(styrene) and poly(ethylene glycol)...
