Results 21 to 30 of about 32,342 (259)

Spectroscopic parameters and molecular constants of X1+ and a3 electronic states of BF radical

Acta Physica Sinica, 2012
The potential energy curves (PECs) of the X1+ and a3 electronic states of the BF radical are studied by employing the ab initio quantum chemical method. The calculations are performed by using the complete active space self-consistent field (CASSCF) method followed by the valence internally contracted multireference configuration interaction (MRCI ...
null Shi De-Heng, null Niu Xiang-Hong, null Sun Jin-Feng, null Zhu Zun-Lue   +3 more
openaire   +1 more source

Spectroscopic Studies of Molecular Constants in some Polyatomic Molecules

Zeitschrift für Naturforschung A, 1966
Force constants have been evaluated by the WILSON group theoretical method for various ij3 molecules possessing a planar trigonal symmetry. Mean-square amplitude quantities and mean amplitudes of vibration for the bonded as well as nonbonded atom pairs have been computed at the temperatures T=0 and T=298 °K for C3 , Si3 , and XeF2 by the CYVIN method ...
openaire   +1 more source

Biophysical approaches for studying viral entry

FEBS Letters, EarlyView.
Viruses infect all living organisms and have been responsible for major epidemics and pandemics. Their ongoing evolutionary battle with host defenses creates a constant need for improved tools to study viral behavior. Advancing methods to probe viral attachment, fusion, and genome release deepen our understanding of how infections begin and support the
Inbar Yosibash, Raya Sorkin
wiley   +1 more source

Modulation of Homer1 EVH1 domain internal dynamics by putative autism‐associated mutations

FEBS Letters, EarlyView.
The putative autism‐associated M65I and S97L variants of the EVH1 domain of the postsynaptic scaffold protein Homer1 do not exhibit substantial changes in their overall structure or partner binding. Both of them, but especially the M65I variant, show altered internal dynamics relative to the wild‐type domain on the μs‐ms timescale, indicated by the ...
Fanni Farkas, Brigitta Maruzs, Zsófia E. Kálmán, Tomas Klumpler, Gyula Batta, Bálint Péterfia, Zoltán Gáspári   +6 more
wiley   +1 more source

Line List for the A2Π−X2Σ+ and the B2Σ+−X2Σ+ Band Systems of CaF

The Astrophysical Journal
The spectral analysis of molecule-rich asymptotic giant branch (AGB) stars is challenging. Although other calcium and fluorine bearing molecules are observed in the microwave and in the visible spectrum of AGB stars, CaF has never been detected, despite ...
Léo Lavy, Peter F Bernath, Adam Pastorek   +2 more
doaj   +1 more source

High-Resolution Infrared Spectroscopy of DC3N in the Stretching Region

Frontiers in Astronomy and Space Sciences, 2021
The perspectives opened by modern ground-based infrared facilities and the forthcoming James Webb Telescope mission have brought a great attention to the ro-vibrational spectra of simple interstellar molecules.
Ningjing Jiang, Mattia Melosso, Filippo Tamassia, Luca Bizzocchi, Luca Dore, Elisabetta Canè, Davide Fedele, Davide Fedele, Jean-Claude Guillemin, Cristina Puzzarini   +9 more
doaj   +1 more source

Study on spectroscopic parameters and molecular constants of CS+(X2Σ+) and CS+(A2Π) by MRCI

Acta Physica Sinica, 2011
The potential energy curves (PECs) of CS+(X2Σ+) and CS+(A2Π) have been investigated using the full valence complete active space self-consistent field (CASSCF) method through the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach over the internuclear separation range from 0.05 to 0.60 nm.
null Liu Hui, null Xing Wei, null Shi De-Heng, null Zhu Zun-Lue, null Sun Jin-Feng   +4 more
openaire   +1 more source

An unexpected alternative viologen electron mediator site in tungsten‐containing formate dehydrogenase

FEBS Letters, EarlyView.
An unexpected alternative interaction site for ethyl viologen was identified in formate dehydrogenase 1 from Methylorubrum extorquens. Combined mutagenesis, kinetic analysis, and docking revealed that aromatic residues near an iron–sulfur cluster enable flavin mononucleotide‐independent electron transfer, offering a framework for engineering improved ...
Eleni G. Poloniataki, Yong Hwan Kim
wiley   +1 more source

Mechanistic interaction study of 5,6-Dichloro-2-[2-(pyridin-2-yl)ethyl]isoindoline-1,3-dione with bovine serum albumin by spectroscopic and molecular docking approaches

Saudi Pharmaceutical Journal, 2019
A synthesized and promising biologically hypoglycemic compound 5,6-Dichloro-2-[2-(pyridin-2-yl)ethyl]isoindoline-1,3-dione (5e) was studied for its binding to a model protein (bovine serum albumin; BSA) by spectroscopic and molecular simulation ...
Mohammed M. Alanazi, Abdulrahman A. Almehizia, Ahmed H. Bakheit, Nawaf A. Alsaif, Hamad M. Alkahtani, Tanveer A. Wani   +5 more
doaj   +1 more source

Electron transfer between complexes III and IV in S. cerevisiae mitochondrial membranes

FEBS Letters, EarlyView.
Mitochondrial oxidative phosphorylation in S. cerevisiae mitoplasts is limited by complex IV catalytic capacity, rather than two‐dimensional cytochrome c diffusion. At physiological cytochrome c : supercomplex ratios at salinity equivalent to that of 20 mm monovalent salt, activity is maximized, indicating that this low ionic strength accurately mimics
Ana Paula Lobez, Mikael Oliveberg, Peter Brzezinski   +2 more
wiley   +1 more source