Results 41 to 50 of about 30,690 (171)

Study of binding interaction of rivaroxaban with bovine serum albumin using multi-spectroscopic and molecular docking approach

Chemistry Central Journal, 2017
Background Rivaroxaban is a direct inhibitor of coagulation factor Xa and is used for venous thromboembolic disorders. The rivaroxaban interaction with BSA was studied to understand its PK and PD (pharmacokinetics and pharmacokinetics) properties.
Tanveer A. Wani, Haitham AlRabiah, Ahmed H. Bakheit, Mohd Abul Kalam, Seema Zargar   +4 more
doaj   +1 more source

Hunting for Sulfur-containing Molecules in Space: A Spectroscopic Characterization of Cyclopropenethione Based on High-level Ab Initio Calculations

The Astrophysical Journal
Cyclopropenethione falls into the class of complex organic molecules but has not yet been observed in the interstellar medium or any circumstellar disks. However, its existence is very likely, and thus this study provides high-level ab initio predictions,
Subhasish Das, Guntram Rauhut
doaj   +1 more source

The A2Π–X2Σ+ Band System of YO

The Astrophysical Journal
YO bands are conspicuous in the spectra of S stars. The laboratory spectrum of the A ^2 Π–X ^2 Σ ^+ electronic transition has been recorded with a Fourier transform spectrometer using a composite-wall hollow cathode lamp source.
Peter F Bernath, Manish Bhusal, Adam Pastorek   +2 more
doaj   +1 more source

Theoretical Calculation of Ground and Electronically Excited States of MgRb⁺ and SrRb⁺ Molecular Ions: Electronic Structure and Prospects of Photo-Association

Atoms
In this work, a comprehensive theoretical investigation is carried out to explore the electronic and spectroscopic properties of selected diatomic molecular ions MgRb+ and SrRb+. Using high-level ab initio calculations based on a pseudopotential approach,
Mohamed Farjallah, Hela Ladjimi, Wissem Zrafi, Hamid Berriche   +3 more
doaj   +1 more source

Stereo-selectivity of human serum albumin to enantiomeric and isoelectronic pollutants dissected by spectroscopy, calorimetry and bioinformatics. [PDF]

PLoS ONE, 2011
1-naphthol (1N), 2-naphthol (2N) and 8-quinolinol (8H) are general water pollutants. 1N and 2N are the configurational enantiomers and 8H is isoelectronic to 1N and 2N.
Ejaz Ahmad, Gulam Rabbani, Nida Zaidi, Saurabh Singh, Mohd Rehan, Mohd Moin Khan, Shah Kamranur Rahman, Zainuddin Quadri, Mohd Shadab, Mohd Tashfeen Ashraf, Naidu Subbarao, Rajiv Bhat, Rizwan Hasan Khan   +12 more
doaj   +1 more source

Rotational Fingerprints of Vinylketene for Astronomical Observations

The Astrophysical Journal, 2023
A high degree of isomerism in the realm of interstellar molecules stimulates systematic astronomical investigations of members of different families of isomers.
Lucie Kolesniková, Tereza Uhlíková, Jan Koucký, Kateřina Luková, Dominik Habiger, Patrik Kania, Jean-Claude Guillemin, Štěpán Urban   +7 more
doaj   +1 more source

Ab initio electronic structure and prospects for the formation of ultracold calcium–alkali-metal-atom molecular ions

New Journal of Physics, 2020
Experiments with cold ion–atom mixtures have recently opened the way for the production and application of ultracold molecular ions. Here, in a comparative study, we theoretically investigate ground and several excited electronic states and prospects for
Wissem Zrafi, Hela Ladjimi, Halima Said, Hamid Berriche, Michał Tomza   +4 more
doaj   +1 more source

Completing the Spectral Mosaic of Chloromethane by Adding the CHD₂Cl Missing Piece Through the Interplay of Rotational/Vibrational Spectroscopy and Quantum Chemical Calculations

Molecules
Chloromethane (CH3Cl) is a key chlorinated organic compound not only in atmospheric chemistry, but also in the field of molecular astrophysics and a possible biosignature in exoplanetary atmospheres.
Mattia Melosso, Paolo Stoppa, Daniela Alvarado-Jiménez, Filippo Tamassia, Carlotta Sapienza, Luca Bizzocchi, Luca Dore, Cristina Puzzarini, Andrea Pietropolli Charmet, Nicola Tasinato   +9 more
doaj   +1 more source

Differential effects of methoxy group on the interaction of curcuminoids with two major ligand binding sites of human serum albumin. [PDF]

PLoS ONE, 2014
Curcuminoids are a group of compounds with a similar chemical backbone structure but containing different numbers of methoxy groups that have therapeutic potential due to their anti-inflammatory and anti-oxidant properties. They mainly bind to albumin in
Hiroki Sato, Victor Tuan Giam Chuang, Victor Tuan Giam Chuang, Keishi Yamasaki, Noriyuki Yamaotsu, Hiroshi Watanabe, Kohei Nagumo, Makoto Anraku, Daisuke Kadowaki, Yu Ishima, Shuichi Hirono, Masaki Otagiri, Toru Maruyama   +12 more
doaj   +1 more source

Study to Probe Subsistence of Host-Guest Inclusion Complexes of α and β-Cyclodextrins with Biologically Potent Drugs for Safety Regulatory Dischargement

Scientific Reports, 2018
Host-guest interaction of two significant drugs, phenylephrine hydrochloride and synephrine with α and β-cyclodextrins were studied systematically. Initially two simple but reliable physicochemical techniques namely conductance and surface tension were ...
Biplab Rajbanshi, Subhadeep Saha, Koyeli Das, Biraj Kumar Barman, Swarnab Sengupta, Arindam Bhattacharjee, Mahendra Nath Roy   +6 more
doaj   +1 more source