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Now showing items 10698-10717 of 14156
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Quantitative Structure-activity Relationship (QSAR) in Studying the Biologically Active Molecules
(Bentham Books, 2023)Recently, many new methods have been used in the research and development of a new drug. In this article, QSAR, which is one of the usable areas of artificial intelligence during molecule research, and the analysis and ... -
Quantum chemical and molecular dynamic simulation studies for the identification of the extracted cinnamon essential oil constituent responsible for copper corrosion inhibition in acidified 3.0 wt% NaCl medium
(Elsevier, Şubat 2021)The influence of the extracted cinnamon essential oil (CiO) on the copper corrosion resistance in acidified 3.0 wt% NaCl (pH = 2) medium was investigated by using electrochemical measurements and Scanning Electron Microscopy ... -
Quantum chemical and molecular dynamic simulation studies for the prediction of inhibition efficiencies of some piperidine derivatives on the corrosion of iron
(ELSEVIER SCIENCE BV, 2016)The adsorption and corrosion inhibition properties of three piperidine derivatives namely, (1-(5-fluoro-2-(methylthio) pyrimidine-4-yl) piperidine 4 yl) 2,5-dimethoxybenzenesulfonamide (FMPPDBS), (1-(5-fluoro-2-(methylthio) ... -
Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron
(ELSEVIER SCIENCE BV, 2016)In the present study, to predict corrosion inhibition performances of 2-amino-4-(4-chlorophenyl)-thiazole (Inh1), 2-amino-4-(4-bromophenyl)-thiazole (Inh2), 4-(2-aminothiazole-4-yl)-phenol (Inh3), 5,5'-(ethane-1,2-diyldi ... -
Quantum chemical calculations, molecular dynamic (MD) simulations and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 2: Bis-azo dye derivatives
(ELSEVIER SCIENCE BV, 2018)The adsorption behavior and inhibition mechanism of five synthesized bis-azo dye (BAD) derivatives on the corrosion of iron in aerated HNO3 and NaOH were investigated by performing potentiostatic polarization, weight loss ... -
Quantum chemical calculations, molecular dynamics simulation and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 1: Mono-azo dye derivatives
(ELSEVIER SCIENCE BV, 2016)This study consists of two parts. In the first part, the inhibitive performance of six mono-azo dye (MAD_ 1 6 ) derivatives was investigated experimentally (gravimetric, thermometric, UVvisible spec-trophotometric and ... -
Quantum chemical investigation of levofloxacin-boron complexes: A computational approach
(ELSEVIER SCIENCE BV, 2018)Quantum chemical calculations are performed over some boron complexes with levofloxacin. Boron complex with fluorine atoms are optimized at three different methods (HF, B3LYP and M062X) with 6-31 + G(d) basis set. The best ... -
Quantum chemical studies and electrochemical investigations of pyrogallol red modified carbon paste electrode fabrication for sensor application
(2021)In order to develop a sensing platform, it is very important to understand the sensing mechanism of the modified electrode by locating the redox reactive sites of the modifier, for this better understanding we used the ... -
Quantum chemical studies on hypothetical Fischer type Mo(CO)(5)[C(OEt)Me] and Mo(CO)(5)[C(OMe)Et] carbene complexes
(ELSEVIER SCIENCE BV, 2018)Quantum chemical calculations at B3LYP/LANL2DZ/6-31G(d) level were made on anti-eclipsed, anti-staggered, syn-eclipsed, syn-staggered conformers of hypothetical Fischer type Mo(CO)(5)[C(OEt)Me] and Mo(CO)(5)[C(OMe)Et] ... -
Quantum Chemical Studies on the Corrosion Inhibition of Fe78B13Si9 glassy alloy in Na2SO4 Solution of Some Thiosemicarbazone Derivatives
(ESG, 2018)In this study, the density functional theory (DFT) at the gradient-corrected correlation functional of Lee-Yang-Parr (B3LYP) functional with 6-311++G(2d,2p), correlation-consistent, polarized valence, X-zeta (cc-pVTZ) basis ... -
Quantum chemical studies on the some inorganic corrosion inhibitors
(PERGAMON-ELSEVIER SCIENCE LTD, 2013)Some quantum chemical parameters were calculated by using Hartree-Fock (HF) approximation, Density Functional Theory (DFT/B3LYP) and Moller Plesset perturbation theory (MP3) methods at LANL2DZ, LANL2MB and SOD levels in ... -
Quantum chemical study of thiaozole derivatives as corrosion inhibitors based on density functional theory
(elsevier)Quantum chemical and theoretical calculations were carried out in the present study of some thiaozole derivatives. Relationship between electronic parameters of thiaozole derivatives 5- benzylidene-2,4-dioxo tetrahydro ... -
Quantum chemical study on the inhibition efficiencies of some sym-triazines as inhibitors for mild steel in acidic medium
(ELSEVIER SCIENCE BV, 2015)Quantum chemical calculations using density functional theory (DFT) at the B3LYP/6-31++G(d,p) basis set level were performed on five sym-triazines used as corrosion inhibitors for mild steel in acidic medium to determine ... -
Quasi-lacunary invariant statistical convergence of sequences of sets
(2020)In this study, we give definitions of Wijsman quasi-lacunary invariant convergence, Wijsman quasi-strongly lacunary invariant convergence and Wijsman quasi-strongly q-lacunary invariant convergence for sequences of sets. ... -
Quaternary stress regime change along the eastern North Anatolian fault zone, Turkey
(V H WINSTON & SON INC, 2002)The North Anatolian fault zone (NAFZ) is a major dextral strike-slip fault extending about 1400 km from Karliova in the east to Saros Gulf in the northern Aegean domain. Fault kinematic inversion results from the easternmost ... -
Quaternary stress regime change in the Hatay region (SE Turkey)
(WILEY-BLACKWELL, 2002)In this study we determine the Plio-Quaternary to present-day stress regime acting in the Hatay region located at the northeastern corner of the East Mediterranean region. The modern state of stress is obtained from inversion ... -
Quechers methodologies as an alternative to solid phase extraction (SPE) for the determination and characterization of residues of cephalosporins in beef muscle using LC-MS/MS
(ELSEVIER SCIENCE BV, 2012)This work was focused on the comparison of two clean-up methods to be used for the simultaneous determination of seven cephalosporins in cow muscle. In particular, the performance of novel dispersive solid phase extraction ... -
Quercetin protects radiation-induced DNA damage and apoptosis in kidney and bladder tissues of rats
(TAYLOR & FRANCIS LTD, 2014)Ionizing radiation (IR) can induce cell damage and cell death through the reactive oxygen species generated by radiolytic hydrolysis. The present study was aimed to determine the possible protective effects of quercetin, ... -
Quercetin treatment against ischemia/reperfusion injury in rat corpus cavernosum tissue: a role on apoptosis and oxidative stress
(TAYLOR & FRANCIS LTD, 2013)Reactive oxygen metabolites play an important role in the ischemia/reperfusion (I/R)-induced tissue injury. This study was designed to investigate the possible protective effects of quercetin against I/R injury of the rat ... -
Quinapril for treatment of hypertension in Turkey - Dose titration and diuretic combination treatment strategies
(ADIS INT LTD, 2007)Background and objective: Recently the PatenT (Prevalence, awareness, treatment and control of hypertension in Turkey) study showed that while the prevalence of hypertension in Turkey is high, effective control of BP is ...
