Results 31 to 40 of about 3,951,961 (299)

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

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

Synergistic perspectives—How single‐molecule biophysics complement biochemical understanding

FEBS Letters, EarlyView.
In this review, we discuss how ensemble biochemistry and single‐molecule approaches are complementary, outline commonly used single‐molecule techniques, and illustrate their relevance through two representative case studies: chromatin organization by SMC complexes and pathway choice during DNA double‐strand break repair.
Sara De Bragança, Eline L. Jansen, Jorine M. Eeftens   +2 more
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

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

Probing the Interaction between Isoflucypram Fungicides and Human Serum Albumin: Multiple Spectroscopic and Molecular Modeling Investigations

, 2023
To better understand the potential toxicity risks of isoflucypram in humans, The interaction between isoflucypram and HSA (human serum albumin) was studied through molecular docking, molecular dynamics simulations, ultraviolet–visible absorption ...
Shuning Chen, Xiaojing Yan, Xiangshuai Li, Daibin Yang, Huizhu Yuan   +4 more
core   +1 more source

Structural and biochemical analysis of a B12 superbinder

FEBS Letters, EarlyView.
BtuG proteins are vitamin B12 scavengers in Bacteroides thetaiotaomicron, a dominant human gut bacterium. We present crystal structures of three BtuG homologs bound to cobalamin and its precursor cobinamide, revealing picomolar binding affinities, among the highest known for any natural protein.
Jose M. Martinez Felices, Jacob J. Whittaker, Dirk J. Slotboom, Albert Guskov   +3 more
wiley   +1 more source

Modeling Triatomic Biosignatures: Ozone and Isotopomers

The Astrophysical Journal
In this work, we present a new approach to produce spectroscopic constants and model first-principles synthetic spectra for all molecules of astrophysical interest.
Thomas M. Cross, David M. Benoit, Marco Pignatari   +2 more
doaj   +1 more source

Depicting the Non-Covalent Interaction of Whey Proteins with Galangin or Genistein Using the Multi-Spectroscopic Techniques and Molecular Docking

Foods, 2019
The non-covalent interactions between a commercial whey protein isolate (WPI) and two bioactive polyphenols galangin and genistein were studied at pH 6.8 via the multi-spectroscopic assays and molecular docking.
Chun-Min Ma, Xin-Huai Zhao
doaj   +1 more source

The Schumann-Runge absorption bands of O2 at 670 K and the spectroscopic constants of the ground state, X3Σ-g

, 1996
High-resolution absorption spectra of O 2 have been photographed at 670 K throughout the wavelength region 179 to 212 nm. Precise wavelength measurements and rotational analyses of the Schumann-Runge (v′, v″) bands with v′ = 12-17 and v″ = 1-4 have been ...
Esmond, JR, Cheung, ASC, Yoshino, K, Parkinson, WH   +3 more
core   +1 more source