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The highly protective natural medical agents against COVID-19
(2021)
OBJECTIVE: The studies to prevent the Corona virus, which is a huge epidemic nowadays and causes the
death of many people, are of great importance. Drugs to be developed to prevent the proliferation and spread
of it. The ...
Experimental and theoretical investigation of inhibition behavior of 2-((4-(dimethylamino)benzylidene)amino)benzenethiol for carbon steel in HCl solution
(2021)
2-((4-(dimethylamino) benzylidene)amino)benzenethiol (DBB) compound has been synthesized and tested for
prevention of carbon steel corrosion in HCl at different temperatures. The research was carried out using ...
Could Peganum harmala be effective in the treatment of COVID-19?
(2021)
BACKGROUND: Predominant molecules in Peganum harmala leaves were detected using gas
chromatography-mass spectrometry (GC-MS). Based on the results of this analysis, most alkaloids,
fl avonoids and triterpenoids in found ...
Investigations of structural, spectral (IR, 1H‑, 9F‑, 11B‑, 13C‑, 15 N‑, 17O‑NMR) and anticancer properties of 5FU@B12N12 complexes
(2021)
B12N12 nanocage was selected as a drug carrier for 5-fluorouracil (5FU). Both compounds were optimized B3LYP/6–
31 + G(d) level in the water. Electrophilic/nucleophilic attack regions and the appropriate interaction sites ...
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 ...
Experimental and Computational Investigation for (E)-2-hydroxy-5-(2- benzylidene) Aminobenzoic Acid Schiff Base as a Corrosion Inhibitor for Copper in Acidic Media
(2021)
The corrosion behavior of copper in 1 M HCl in the absence and presence of Hha ((E)-2-hydroxy-5-(2-benzylidene)
aminobenzoic acid) has been investigated experimentally and computationally. In this way, the electrochemical ...
Synthesis and competitive 7 Li NMR studies of two morpholine-based ligands
(Elsevier, 2021)
7 Li NMR spectroscopy was used to investigation the stability, stoichiometry and thermodynamic infor- mation of a Li + complex with one known, N1-(2-morpholinoethyl)-N1-((pyridine-2-yl)methyl)propane- 1,3-diamine (A 1 ) ...
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 ...
New anti-viral drugs for the treatment of COVID-19 instead of favipiravir
(2021)
The SARS-CoV-2 virus is a major problem in the world right now. Currently, all the attention of
research centers and governments globally are focused on the investigation of vaccination studies and
the discovery of small ...
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 ...