Results 31 to 40 of about 30,690 (171)

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

Spatiotemporal Changes in Atomic and Molecular Architecture of Mineralized Bone under Pathogenic Conditions

Crystals, 2023
Mechanisms responsible for spatiotemporal changes in the atomic-molecular architecture of the human femur in intact and osteoarthritis-affected areas were studied using high-resolution X-ray diffraction and spectroscopic techniques.
Andrey A. Pavlychev, Xenia O. Brykalova, Alexander A. Cherny, Anatoliy V. Korneev, Nikolai N. Kornilov   +4 more
doaj   +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

Evaluation of DNA/BSA Binding and Chemical Nuclease Activity of L-Tyrosine-Based Mn(III) and Fe(III) Metallo-Intercalators

Acta Chimica Slovenica, 2019
A novel class of Mn(III) and Fe(III) complexes of L-tyrosine-based ligand has been synthesized and characterized through various analytical and spectroscopic techniques.
Biju Bennie Rajaretnam, Joel Chellappa, Daniel Abraham Solomon, Iyyam Pillai Subramanian, Theodore David Manickam Selvanayagam   +4 more
doaj   +1 more source

A simple model for high rotational excitations of molecules in a superfluid

New Journal of Physics, 2022
Recently it became possible to study highly excited rotational states of molecules in superfluid helium through nonadiabatic alignment experiments (Cherepanov et al 2021 Phys. Rev. A 104 L061303).
Igor N Cherepanov, Giacomo Bighin, Constant A Schouder, Adam S Chatterley, Henrik Stapelfeldt, Mikhail Lemeshko   +5 more
doaj   +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

Non-relativistic molecular modified shifted Morse potential system

Scientific Reports, 2022
A shifted Morse potential model is modified to fit the study of the vibrational energies of some molecules. Using a traditional technique/methodology, the vibrational energy and the un-normalized radial wave functions were calculated for the modified ...
C. A. Onate, I. B. Okon, U. E. Vincent, E. S. Eyube, M. C. Onyeaju, E. Omugbe, G. O. Egharevba   +6 more
doaj   +1 more source

An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN Radical

The Astrophysical Journal Supplement Series
The global mass-invariant coupled-channel deperturbation model of the B ^2 Σ ^+ , A ^2 Π, and X ^2 Σ ^+ states of the CN radical, which reproduces the overall rovibronic term values of mutually perturbed levels with almost spectroscopic accuracy, has ...
S. V. Kozlov, V. A. Terashkevich, E. A. Pazyuk, A. V. Stolyarov, S. N. Yurchenko, J. Tennyson   +5 more
doaj   +1 more source

Vibrational spectroscopies in liquid water: on temperature and coordination effects in Raman and infrared spectroscopies

Condensed Matter Physics, 2023
Water is an ubiquitous liquid that has several exotic and anomalous properties. Despite its apparent simple chemical formula, its capability of forming a dynamic network of hydrogen bonds leads to a rich variety of physics.
R. Vuilleumier, A. P. Seitsonen
doaj   +1 more source

A comparative spectroscopic and computational insight on the interaction of short and long chain pyrrolidinium based ionic liquids with bovine serum albumin

Journal of Ionic Liquids
In this study, bovine serum albumin (BSA), a model transport protein, is shown to interact with two pyrrolidinium based ionic liquids (ILs), namely, 1-hexyl-1-methyl pyrrolidinium bromide [PyrC6]Br−and 1-dodecyl-1-methyl pyrrolidinium bromide [PyrC12]Br−.
Aashima Anand, Juhi Saraswat, Rajan Patel   +2 more
doaj   +1 more source