Results 21 to 30 of about 272 (215)

Do Hydrogen Bonds Influence Excitonic Splittings?

open access: yesCHIMIA, 2016
The excitonic splitting and vibronic quenching of the inversion-symmetric homodimers of benzonitrile, (BN)2, and meta-cyanophenol, (mCP)2, are investigated by two-color resonant two-photon ionization spectroscopy.
Franziska A. Balmer   +2 more
doaj   +1 more source

Hydrogen bond symmetrization and equation of state of phase D [PDF]

open access: yesJournal of Geophysical Research, 2011
We have synthesized phase D at 24 GPa and at temperatures of 1250-1100 C in a multianvil press under conditions of high silica activity. The compressibility of this high-silica-activity phase D (Mg{sub 1.0}Si{sub 1.7}H{sub 3.0}O{sub 6}) has been measured up to 55.8 GPa at ambient temperature by powder X-ray diffraction.
Anwar Hushur   +8 more
openaire   +1 more source

Multivariate analysis of hydrophobic descriptors

open access: yesADMET and DMPK, 2014
Multivariate approaches like principal component analysis (PCA) are powerful tools to investigate hydrophobic descriptors and to discriminate between intrinsic hydrophobicity and polar contributions as hydrogen bonds and other electronic effects.
Stefan Dove
doaj   +1 more source

A Synthetic Method to Access Symmetric and Non-Symmetric 2-(<em>N</em>,<em>N</em><em>'</em>-disubstituted)guanidinebenzothiazoles

open access: yesMolecules, 2012
Symmetric and non-symmetric 2-(<em>N</em>-H, <em>N</em>-methyl, <em>N</em>-ethylenyl and <em>N</em>-aryl)guanidinebenzothiazoles were synthesized from the reaction of ammonia, methylamine, pyrrolidine and ...
Efrén V. García-Báez   +2 more
doaj   +1 more source

The role of hydrogen bonds in hydrous minerals stable at lower mantle pressure conditions

open access: yesProgress in Earth and Planetary Science, 2022
Over the past few decades, hydrous minerals were thought to be absent in the lower mantle, due to their instability at high-pressure conditions. Recently, however, hydrous phases including phase H (MgSiO $$_4$$ 4 H $$_2$$ 2 ), pyrite-type FeOOH, and ...
Jun Tsuchiya, Elizabeth C. Thompson
doaj   +1 more source

Structures of mycobacterial 3‐methylcrotonyl‐CoA carboxylase reveal carrier‐domain translocation between catalytic sites

open access: yesFEBS Letters, EarlyView.
Mycobacterial 3‐methylcrotonyl‐CoA carboxylase uses a mobile biotin‐carrying domain to shuttle a carboxyl group between two catalytic sites, enabling carboxylation of 3‐methylcrotonyl‐CoA during leucine breakdown. Cryo‐electron microscopy captures the carrier at both sites and reveals an inward loop movement that may prevent futile rebinding to the ...
Ajit Yadav   +2 more
wiley   +1 more source

Crystal structures of the homologues diethyl and dimethyl (10H-indeno[1,2-b]quinoxalin-11-yl)phosphonate: use of non-spherical scattering factors

open access: yesActa Crystallographica Section E: Crystallographic Communications
The two title compounds, 4a C19H19N2O3P and 4b C17H15N2O3P, are not isotypic. The tetracyclic ring systems are essentially planar. The phosphonate groups are similarly oriented.
Ghada A. Eldeken   +6 more
doaj   +1 more source

Tetraaqua(nitrato-&#954;2O,O&#8242;)bis(pyridinium-4-carboxylate-&#954;O)europium(III) dinitrate

open access: yesActa Crystallographica Section E, 2011
The asymmetric unit of the title compound, [Eu(NO3)(C6H5NO2)2(H2O)4](NO3)2, consists of one-half of the C2 symmetric coordination cation and one nitrate anion. The eight-coordinated EuIII atom is in a distorted dodecahedral coordination environment.
Zhi-Guo Zhong   +3 more
doaj   +1 more source

The Shewanella oneidensis Fic enzyme SoFic targets the switch‐I region of EF‐Tu for AMPylation

open access: yesFEBS Letters, EarlyView.
Fic enzymes mediate diverse post‐translational modifications across all domains of life, including AMPylation. Prokaryotic EF‐Tu can be AMPylated and deAMPylated by the conserved Fic enzyme SoFic. Structural and biochemical approaches were used to characterize the effect of AMPylation on EF‐Tu, SoFic's enzymatic activities, and the enzyme‐target ...
Svenja Runge   +6 more
wiley   +1 more source

The heterodimeric amino acid transporters (HAT) of the SLC7/SLC3 family: A structure−function relationships and relevance to human pathology

open access: yesFEBS Letters, EarlyView.
Heterodimeric amino acid transporters consist of SLC7 and SLC3 family proteins arranged in a conserved structural organization. They regulate nutrient transport across cell membranes, supporting essential cellular functions. These transporters also contribute to xenobiotic/drug uptake and distribution.
Mariafrancesca Scalise   +5 more
wiley   +1 more source

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