Sivas Cumhuriyet Universitesi: Recent submissions
Now showing items 2301-2320 of 14382
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Pd-PEPPSI: X-ray Structure, Spectroscopic Analyses, and Quantum Mechanical Studies
(2021)Pyridine enhanced precatalyst preparation stabilization and initiation (PEPPSI) complexes contain two halides, an unstable pyridine derivative and a bulky N-heterocyclic carbene (NHC) ligand. In this study, a new ... -
Activity analysis of new N-heterocyclic carbenes and silver N-heterocyclic carbene molecules against novel coronavirus by UV-vis, fluorescence spectroscopy and molecular docking
(2021)The biggest pandemic that this generation has experienced is still continuing. While researchers concentrated on vaccine studies, development of treatment procedures and anti-viral drugs are other important parts of ... -
Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes
(2021)Microorganisms attach to surfaces and interfaces and form biofilms which create a sheltered area for host cell response. Therefore, biofilms provide troubles in fields such as medicine, food, and pharmaceuticals. Inhibition ... -
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 ... -
Antimicrobial activity, inhibition of biofilm formation, and molecular docking study of novel Ag-NHC complexes
(ELSEVİER, 2021)In this study, we reported the synthesis of a new series of Silver(I)-N-heterocyclic carbene complexes which were obtained from the corresponding new N-heterocyclic carbene (NHC) precursors. All new compounds were ... -
Modifying Effects of Glucose and Insulin/Insulin-Like Growth Factors on Colon Cancer Cells
(05.07.2021)There are only a few experimental studies which have investigated effects of glucose alone, and glucose in combination with insulin/insulin-like growth factors (IGF) on the growth of colon cancer. In the present study, we ... -
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 ) ... -
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 ... -
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 ... -
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 ... -
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 ... -
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 ... -
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 ... -
Theoretical computation of normalised radii, density and global hardness as a function of orbital exponent
(Springer International Publishing, 21 Februar)The recent work has an aim to establish a pivotal role of orbital exponent in the normalized atomic radii, atomic density and atomic hardness. These three periodic descriptors help to understand the real scenario of an ... -
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 ... -
Optimisation of recycled moulding sand composition using the mixture design method
(Taylor and Francis, 25.05.2021)In the cast iron industry, mould sand quality and the most efficient recovery of used sand into the system are critical. For this purpose, the optimum values of the factors (humidity, active bentonite and coal dust) affecting ... -
A gossypol derivative as an efficient corrosion inhibitor for St2 steel in 1 M HCl + 1 M KCl: An experimental and theoretical investigation
(Journal of Molecular Liquids, 26 January)Currently, there are several types of corrosion inhibitors were studied. The new type of corrosion inhibitor based on a gossypol derivative was first introduced. The anti-corrosion performance of 6-aminopenicillanic acid ... -
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 ...