[HTML][HTML] Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis
In this work, we studied intermolecular aqueous clusters of biuret, an important urea
derivative. FTIR showed an increase in the intensity of absorption bands when water …
derivative. FTIR showed an increase in the intensity of absorption bands when water …
Intermolecular hydrogen bonds interactions in water clusters of ammonium sulfamate: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NBO analysis
AS Kazachenko, F Akman, H Abdelmoulahi… - Journal of Molecular …, 2021 - Elsevier
Ammonium sulfamate is an important sulfamic acid derivative. It has found wide application
as a herbicide, fire-resistant agent, etc. In this work, we investigated intermolecular aqueous …
as a herbicide, fire-resistant agent, etc. In this work, we investigated intermolecular aqueous …
[HTML][HTML] Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19 …
O Noureddine, N Issaoui, M Medimagh… - Journal of King Saud …, 2021 - Elsevier
Abstract Structure− activity relationships for hydroxychloroquine compound and its
derivatives resulted in a potent antiviral activity. Where hydroxychloroquine derivatives …
derivatives resulted in a potent antiviral activity. Where hydroxychloroquine derivatives …
Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: experimental and computational analysis
This paper deals with the crystal structure of the new non-centrosymmetric organic-inorganic
hybrid material,(C 6 H 14 N) 2 [CdCl 4]. Single crystal X-ray diffraction analysis shows that …
hybrid material,(C 6 H 14 N) 2 [CdCl 4]. Single crystal X-ray diffraction analysis shows that …
Sulfation of diethylaminoethyl-cellulose: QTAIM topological analysis and experimental and DFT studies of the properties
A Kazachenko, F Akman, M Medimagh, N Issaoui… - ACS …, 2021 - ACS Publications
Sulfated cellulose derivatives are biologically active substances with anticoagulant
properties. In this study, a new sulfated diethylaminoethyl (DEAE)-cellulose derivative has …
properties. In this study, a new sulfated diethylaminoethyl (DEAE)-cellulose derivative has …
5-((1H-imidazol-1-yl) methyl) quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular …
A potential new drug to treat SARS-CoV-2 infections and chloroquine analogue, 5-((1H-
imidazol-1-yl) methyl) quinolin-8-ol (DD1) has been here synthesized and characterized by …
imidazol-1-yl) methyl) quinolin-8-ol (DD1) has been here synthesized and characterized by …
Spectroscopic, Computational (DFT), Quantum mechanical studies and protein-ligand interaction of Schiff base 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis …
TS Ganesan, N Elangovan, V Vanmathi… - Journal of the Indian …, 2022 - Elsevier
Abstract Infrared, 1 HNMR, 13 CNMR, and VU-Visible spectroscopy have been used to
characterize the novel 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) …
characterize the novel 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) …
Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate
O Noureddine, S Gatfaoui, SA Brandan… - Journal of Molecular …, 2020 - Elsevier
In this work, the organic material4-Phenylpiperazine-1-ium dihydrogen phosphate (4PPHP)
has been characterized by 13 C and 31 P nuclear magnetic resonance (NMR) spectra, UV …
has been characterized by 13 C and 31 P nuclear magnetic resonance (NMR) spectra, UV …
[HTML][HTML] Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative
O Noureddine, N Issaoui, S Gatfaoui… - Journal of King Saud …, 2021 - Elsevier
This work is devoted to investigating the molecular geometry, biological activities, electronic
and vibrational characteristics of 1-phenylpiperazin-1, 4-diium nitrate monohydrate (1PPNO …
and vibrational characteristics of 1-phenylpiperazin-1, 4-diium nitrate monohydrate (1PPNO …
Theoretical and experimental study of guar gum sulfation
AS Kazachenko, F Akman, A Sagaama… - Journal of Molecular …, 2021 - Springer
The synthesis of guar gum sulfates by a complex of sulfur trioxide with 1, 4-dioxane was
studied. The influence of temperature, process duration, and the volume of chlorosulfonic …
studied. The influence of temperature, process duration, and the volume of chlorosulfonic …