Results 61 to 70 of about 3,736,159 (294)

Characterization of grewia gum, a potential pharmaceutical excipient [PDF]

, 2010
Grewia gum was extracted from the inner stem bark of Grewia mollis and characterized by several techniques such as gas chromatography (GC), gel permeation chromatography (GPC), scanning electron microscopy (SEM), dilute solution viscometry, differential ...
Conway, Barbara R, Barbara R. Conway, Nep, Elijah I, Nep, Elijah I., Conway, Barbara R., Elijah I Nep   +5 more
core   +4 more sources

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

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

Study on spectroscopic properties and molecular constants of the ground and excited states of AsCl free-radical

Acta Physica Sinica, 2013
The dissociation limit of AsCl free-radical is correctly determined based on group theory and atomic and molecular statics. Potential energy curves (PECs) for the ground state and several low-lying electronic excited states of AsCl free-radical are calculated using the multi-reference configuration interaction method with the basis set of aug-cc-pV5Z ...
null Zhu Zun-Lue, null Lang Jian-Hua, null Qiao Hao   +2 more
openaire   +1 more source

Optical constants of MgxZn1-xO

Optical constants of Mg(x)Zn(1-x)O films are measured by spectroscopic ellipsometry (M-2000U, J.A. Woollam Co.), where the Mg(x)Zn(1-x)O films are grown on Zn-polar ZnO (0001) substrates by molecular beam epitaxy. Ellipsometric parameters are measured at
Yusuke Kozuka
core   +1 more source

Field Report from Collaborative Research Center 1625: Heterogeneous Research Data Management Using Ontology Representations

Advanced Engineering Materials, EarlyView.
A unified research data management framework for heterogeneous materials data is presented. The system integrates multimodal datasets using ontologies and knowledge graphs, enabling interoperability and FAIR (findable, accessible, interoperable, reusable) data principles. By linking data across scales and workflows, it supports reproducible, Artifitial
Doaa Mohamed, Samuel García Vázquez, Behnam Mardani, Victor Dudarev, Alfred Ludwig, Maribel Acosta, Markus Stricker   +6 more
wiley   +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

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

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +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