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Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory
(Royal Society of Chemistry, 2017)
Despite the usefulness of curly arrows in chemistry, their relationship with real electron density flows
is still imprecise, and even their direct connection to quantum chemistry is still controversial. The
paradigmatic ...
High-pressure study of the behavior of mineral barite by x-ray diffraction
(American Physical Society, 2011-08-02)
In this paper, we report the angle-dispersive x-ray diffraction data of barite, BaSO4 , measured in a diamond-anvil cell up to a pressure of 48 GPa, using three different fluid pressure-transmitting media (methanol-ethanol ...
The role of streptavidin and its variants in catalysis by biotinylated secondary amines
(Royal Society of Chemistry, 2021-11-15)
Here, we combine the use of host screening, protein crystallography and QM/MM molecular dynamics simulations to investigate how the protein structure affects iminium catalysis by biotinylated secondary amines in a model ...
From Complex Inorganic Oxides to Ag–Bi Nanoalloy: Synthesis by Femtosecond Laser Irradiation
(American Chemical Society, 2018-08-24)
Bimetallic nanoalloys with a wide variety of
structures and compositions have been fabricated through many diverse techniques. Generally, various steps and chemicals are involved in their fabrication. In this study, the ...
Do zwitterionic species exist in the non-enzymatic peptide bond formation?
(The Royal Society of Chemistry, 2012-09-30)
The use of proper computational methods and models has allowed answering the controversial question of whether zwitterionic species exist in the mechanism of peptide bond synthesis in aqueous solution. In fact, the different ...
Hemilability of phosphine-thioether ligands coordinated to trinuclear Mo3S4 cluster and its effect on hydrogenation catalysis
(Royal Society of Chemistry, 2018)
Ligand-exchange reactions of [Mo3S4(tu)8(H2O)]Cl44H2O (tu = thiourea) with
(PhCH2CH2)2PCH2CH2SR ligands, where R = Ph (PS1), pentyl (PS2) or Pr (PS3) afford new
complexes isolated as [Mo3S4Cl3(PS1)3]PF6 ([1]PF6), ...
Laser and electron beam-induced formation of Ag/Cr structures on Ag2CrO4
(Royal Society of Chemistry, 2019)
The interactions of silver chromate (Ag2CrO4) with a femtosecond (fs) laser and electron beam
irradiations were investigated. For the first time, the growth and coalescence of metallic Ag nanoparticles (NPs) on an Ag2CrO4 ...
Multi-class determination of undesirables in aquaculture samples by gas chromatography/tandem mass spectrometry with atmospheric pressure chemical ionization: A novel approach for polycyclic aromatic hydrocarbons
(Elsevier, 2017)
In this work, a method for the analysis of 24 PAHs in 19 different matrices, including
fish tissues, feeds and feed ingredients, has been developed using gas chromatography
coupled to triple quadrupole tandem mass ...
Unraveling a Biomass-Derived Multiphase Catalyst for the Dehydrogenative Coupling of Silanes with Alcohols under Aerobic Conditions
(American Chemical Society, 2021)
Herein, a novel silver and chromium nanostructured N-doped carbonaceous material has been synthesized by a biomass-annealing approach using readily available chitosan as a raw material. The resulting catalyst AgCr@CN-800 ...
Experimental and theoretical study to explain the morphology of CaMoO4 crystals
(Elsevier, 2018-03)
CaMoO4 crystals were prepared by a controlled co-precipitation method and processed in a domestic microwave-assisted hydrothermal system with two different surfactants (ethyl 4-dimethylaminobenzoate and 1,2,4,5-benzenete ...