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First-principles study for comparison of the electronic and optic bandgaps of the CH3NH3Pb1-xYxI3 (Y=Bi, x=0.00, 0.125) and CH3NH3Pb1-xYxI3 (Y=Ca, Sr, x=0.125, 0.250) perovskites
(Elsevier B.V., 2021)We computed the optical bandgaps of the CH3NH3Pb(1-x)Y(x)I3 (Y=Bi, x = 0.00, 0.125) and CH3NH3Pb(1-x)Y(x)I3 (Y=Ca, Sr, x = 0.125, 0.250) perovskite crystal structures using optical arguments such as the imaginary part of ... -
Synthesis, crystal structure and spectroscopic studies of a new silver complex derived from [1-(3-pyridinyl) ethanone]
(Elsevier, 2023)In this work, a new silver (I) complex, [Ag(3-pye)2(H2O)](NO3) where 3-pye=1-(3-pyridinyl) ethanone, has been synthesized and characterized by elemental analyses, FT-IR, fluorescence spectroscopy, and single X-ray ... -
Synthesis, spectroscopic characterization (FT-IR, PL), DFT calculations and antibacterial activity of silver(I) nitrate complex with nicotinaldehyde
(Elsevier B.V., 2021)The [Ag(3-Py-CHO)2NO3] complex, where (3-Py-CHO); Nicotinaldehyde (3-pyridinecarboxaldehyde), was synthesized and characterized by means of elemental analysis, various spectroscopic techniques (FT-IR, 1H NMR, PL) and DFT ... -
Antıprolıferatıve Effect Of Lactobacıllus Plantarum L4 Straın Isolated From Cervıcovagınal Mıcroflora On Hela Cancer Cell Lıne
(İstanbul Uni., 2022)Objective: Lactobacillus has been shown to inhibit proliferation of various cancer cells, but the effects of vaginal Lactobacillus on cervical cancer cells have rarely been reported. The goal of this investigation was to ... -
Electrospinning Polymers of Intrinsic Microporosity (PIMs) ultrafine fibers; preparations, applications and future perspectives
(Elsevier Ltd, 2022)Polymers of Intrinsic Microporosity (PIMs) are increasingly recognized as membrane materials for molecular separation applications due to their unique structural and functional properties. Development of electrospun PIMs ... -
Experimental and theoretical Fourier transform infrared and Raman spectroscopy, density functional theory, antibacterial activity and molecular docking studies on 1-(4-methoxyphenyl)-1H-imidazole
(Springer Science and Business Media Deutschland GmbH, 2022)Fourier transform infrared (FT-IR) and Raman (FT-Ra) spectra of 1-(4-methoxyphenyl)-1H-imidazole were recorded and analyzed. The vibrational wavenumbers of the structure were computed by using the density functional theory ... -
Electrospinning Polymers of Intrinsic Microporosity (PIMs) ultrafine fibers; preparations, applications and future perspectives
(Elsevier Ltd, 2022)Polymers of Intrinsic Microporosity (PIMs) are increasingly recognized as membrane materials for molecular separation applications due to their unique structural and functional properties. Development of electrospun PIMs ... -
Synthesis, characterization, thermal, DFT study, antioxidant and antimicrobial in vitro investigations of indazole and its Ag(I) complex
(Elsevier Ltd, 2023)In this study, experimental and computational analyses were performed on free indazole and its silver metal complex. By using spectral methods, thermal studies, and analytical analysis, a new synthesized Ag(I) complex has ... -
DFT investigations and molecular docking as potent inhibitors of SARS-CoV-2 main protease of 4-phenylpyrimidine
(Elsevier, 2023)In this work, quantum chemical descriptors and a vibrational analysis of 4-Phenylpyrimidine (4-PPy) were also investigated. Through conformational analysis, the most stable conformer can be determined. The geometry of the ... -
Recombinant Production and Biochemical Characterization of Thermostable Arabinofuranosidase from Acidothermophilic Alicyclobacillus Acidocaldarius
(Springer, 2023)The complete enzymatic degradation of lignocellulosic biomass requires the cooperative action of cellulosic, hemicellulosic, and lignolytic enzymes such as cellulase, xylanase, laccase, galactosidase, and arabinofuranosidase. ... -
Crystal structure, vibrational spectroscopy, 1H NMR, and DFT analyses with antibacterial activity studies on silver nitrate complex of 5-iodoindole
(Elsevier, 2023)A novel complex silver nitrate of 5-iodindole molecule has been synthesized and characterized by single-crystal X-ray diffraction, infrared and Raman spectroscopy, and 1H NMR analysis. DFT calculations were performed using ... -
Lactobacillus spp. isolated from prebiotic-derived raw goat milk: probiotic characteristics, cholesterol assimilation and folate production
(Springer Science and Business Media B.V., 2023)Objectives: This work provides to evaluate cholesterol assimilation and folic acid production by determining the probiotic properties of Lactobacillus spp. from raw goat milk with prebiotic properties. Results: We isolated ... -
Computational and experimental tools of MiRNAs in cancer
(Shriaz University of Medical Sciences, 2020)MicroRNAs (miRNAs) are short non-protein coding and single-stranded small RNA molecules with a critical role in the regulation of gene expression. These molecules are crucial regulatory elements in diverse biological ... -
Evaluation of total oxidant status, total antioxidant capacity and oxidative stress levels in humor aqueous of diabetic cataract patients
(Gazi Eye Foundation, 2020)Purpose: Diabetic retinopathy (DRP) is one of the most common complications of diabetes mellitus and various studies have demonstrated the role of increased oxidative stress due to hyperglycemia in its pathophysiology. ... -
Comparison of the effects of Sr2+ and Ca2+ substitution on the structural and electronic properties of the perovskites CH3NH3Pb1-xYxI3 (Y[dbnd]Sr, Ca) by using the Density Functional Theory
(Elsevier B.V., 2021)The Vienna ab-initio simulation package (VASP) and Density Functional Theory (DFT) calculation method are used to study the structural and detailed electronic properties through atomic substitution in the CH3NH3Pb(1-x)Y(x)I3 ... -
Copper(I) iodide complex with 4-pyridinecarboxaldehyde ligand: Synthesis, spectroscopic characterisation, AIM and NCI analysis combined with molecular docking and antibacterial activity studies
(Elsevier, 2023)In this article, we synthesized a [CuI(4-pyridinecarboxaldehyde)4] complex characterized by CHN analy-ses, FT-IR, UV-Vis, and DFT. The spectroscopic characteristics and biological activities of the synthesized complex were ... -
Structural and spectroscopic characterization, electronic properties, and biological activity of the 4-(3-methoxyphenyl)piperazin-1-ium 4-(3-methoxyphenyl)piperazine-1-carboxylate monohydrate
(Springer Science and Business Media Deutschland GmbH, 2023)In this study, 4-(3-methoxyphenyl)piperazin-1-ium 4-(3-methoxyphenyl)piperazine-1-carboxylate monohydrate was synthesized and characterized by using spectroscopic (XRD, FT-IR, FT-Ra, and NMR) techniques. Theoretical ... -
Experimental and DFT studies of 2-methyl-quinoxaline and its silver (I) complex: Non-covalent interaction analysis, antimicrobial activity and molecular docking study
(Elsevier B.V., 2022)The current study describes the characterization and vibrational spectra (elemental analysis, FT-IR, 1H NMR and UV–Visible absorption) of 2-Methyl-quinoxaline (2-MQ) and synthesized [Ag(2-Methyl-quinoxaline)(NO3)]. The ... -
Synthesis, structural characterization and X-ray analysis of (E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-4-ethylbenzenesulfonohydrazide and Its Ni(II) complex
(Elsevier B.V., 2022)A new p-toluene sulfonyl hydrazide derivative sulfonyl hydrazone and its Ni(II) complex have been synthesized. The ligand (E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-4-ethylbenzenesulfonohydrazide (HL) was characterized ... -
Investigation of the Mechanical, Electronic and Phonon Properties of X2ScAl (X = Ir, Os, and Pt) Heusler Compounds
(Korean Physıcal Soc, 2020)In the present study, the second-order elastic constants and the electronic band structures of the X2ScAl (x= Ir, Os, and Pt) compounds crystallized in the L2(1)phase were calculated separately by using theab-initiodensity ...
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