Search
Now showing items 1-10 of 11
Neuro-fuzzy modeling of deformation parameters for fusion-barriers
(2021)
The fusion-barrier distribution is very sensitive to the structure of the colliding nuclei such as nuclear quadrupole and hexadecapole deformation parameters and their signs. If the nuclei that enter the fusion reaction ...
Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent?
(2021)
BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral
characterizations are done at the M062X/6-31+G(d,p) level in water. Active sites of these compounds are
determined by contour ...
Investigations substituent effect on structural, spectral and optical properties of phenylboronic acids
(2021)
Ortho- and para-substituent arylboronic acid are investigated. Geometric structure and structural proper- ties of these compounds are done. IR and NMR spectrum are calculated for the spectral characterizations. Contour ...
Could boron compounds be effective against SARS-CoV-2?
(2021)
BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral
characterization is done at M062X/6-31+G(d,p) level in the water. Active sites of these compounds are
determined using ...
Experimental and in silico studies of dichloro- tetrakis (1H-pyrazole)-cobalt(II): Structural description, photoluminescent behavior and molecular docking
(2021)
A novel pyrazole-based Co(II) complex, namely dichloro-tetrakis(1H-pyrazole)-cobalt(II), was synthesized
and characterized. Its X-ray crystal structure showed that it crystallizes in the monoclinic C 2/ c space
group ...
Scale factor database for the vibration frequencies calculated in M06-2X, one of the DFT methods
(2021)
Vibrational scale factors were determined for the M06-2X method. The calculated scale factors were supported
statistically. The main objective is to determine the concordance between frequencies. Descriptive statistics ...
Pyrazolyl‐Benzoxazinone Derivatives as Dual Hsp Inhibitors in Human Breast Cancer
(2022)
Heat Shock Proteins (Hsps) play major role on the onset of several cancers. Metabolic rates of cancer cells are higher compared to that of untransformed cells. This accelerated rate force functional substrate proteins to ...
Possible effects of clinoptilolite on small intestinal ischemia-reperfusion injury caused by experimental mesenteric artery occlusion
(2022)
Objectives: Mesenteric ischemia is a surgical emergency caused by poor blood supply to the intestines. In ischemia,the decrease in blood flow to the tissue causes acidosis and cell death through anaerobic metabolism. ...
Design, synthesis and in vitro antiproliferation activity of some 2-aryl and -heteroaryl benzoxazole derivatives
(2022)
Background: Phortress produces reactive electrophilic metabolites that form DNA adducts only in
sensitive tumor cells. The authors converted the 2-phenylbenzothiazole nucleus in phortress to 2-
aryl and -heteroaryl ...
circRNAs in drug resistance of breast cancer
(2022)
Abstract: Breast cancer (BC) is the most common heterogeneous disease in women and one of the leading causes of cancer-related death. Surgery, chemotherapy, radiotherapy, hormone, and targeted therapy are the gold standards ...