Browsing by Author "Serdaroğlu, Goncagül"
Now showing items 1-14 of 14
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A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions
Serdaroğlu, Goncagül (Elsevier, 2021)This study aims to evaluate and understand the adsorption of eriochrome black T (EB) by chitosan extracted from local shrimp shells under different experimental conditions. Chitosan samples were characterized by XRD, ... -
Adsorption of Eriochrome Black T on the chitin surface: Experimental study, DFT calculations and molecular dynamics simulation
Serdaroğlu, Goncagül (Elsevier, 2021)In this study, chitinwith highmolecularweightwas extracted fromshrimp shells and characterized by XRD, FTIR, and SEM. The solid was investigated in Eriochrome black T dye (EB) adsorption in aqueous solution. Experimental results ... -
Anticorrosive and antioxidant effect of the aqueous extract of the leaves, flowers, and stems of Cistus monspeliensis L: Experimental and computational study
Serdaroğlu, Goncagül (Elsevier, 2021)The objective of this study is to contribute to the promotion of Cistusmonspeliensis L (CM) plant as a green inhibitor of mild steel in a hydrochloric acid solution that behaves as a source for ecological guarantee high ... -
Carbazole derivatives: Synthesis, spectroscopic characterization, antioxidant activity, molecular docking study, and the quantum chemical calculations
Serdaroğlu, Goncagül (Elsevier, 2021)A various carbazole derivativeswere synthesized for the synthesis 2,3-Dihydro-1H-carbazol-4(9H)-one O-acetyl oxime (3), ethyl 2-(2,3,4,9-tetrahydrospiro[carbazole-1,2 -[1,3]dithiolane]-2-yl)acetate (5), 2- hydroxyethyl ... -
Copper(II) chelates derived from an N,N,O-tridentate 2-pyridinecarboxaldehyde-N 4 -phenylsemicarbazone: Synthesis, spectral aspects, crystal structure, FMO and NBO analysis
Seven novel Cu(II) complexes [Cu(HPySc)Cl 2 ] ( 1 ), [Cu 2 (PySc) 2 (NO 3 ) 2 ] ·H 2 O ( 2 ), [Cu(HPySc)(SO 4 )] ·½H 2 O ( 3 ), [Cu 2 (PySc) 2 (OAc) 2 ] ·CH 3 OH ( 4 ), [Cu 2 (PySc) 2 Br 2 ] ·H 2 O ( 5 ), [Cu(PySc)(NCS)] ... -
Equilibrium, Thermodynamic, and Density Functional Theory Modeling Studies for the Removal of Dichromate Ions from Wastewater Using Calix[4]arene Modified Silica Resin
Junejo, Ranjhan; Jalbani, Nida Shams; Memon, Shahabuddin; Kaya Savaş; Erkan Sultan; Serdaroğlu, Goncagül; Palabiyik, Ismail Murat (ACS, 2021)Water is contaminated by different toxicants such as anions, cations, and organic waste products. In this regard, this study reveals the removal of Cr2O7 ions from water using calix[4]arene modified silica (CMS) resin under ... -
Hydroxy phenyl hydrazides and their role as corrosion impeding agent: A detail experimental and theoretical study
Serdaroğlu, Goncagül (Elsevier, 2021)This study presents synthesis of environmentally benign corrosion inhibitors, hydroxy acetophenone derivative namely, N′-(1-(2-hydroxyphenyl) ethylidene) acetohydrazide (ATOH), N′-(1-(2-hydroxyphenyl) ethylidene) benzohydrazide ... -
New Hybrid (E)-4-((pyren-1-ylmethylene)amino)-N-(thiazol- 2-yl)benzenesulfonamide as a Potential Drug Candidate: Spectroscopy, TD-DFT, NBO, FMO, and MEP Studies
Serdaroğlu, Goncagül (Wiley, 2021)A novel pyrene-sulfathiazole-based potential drug candidate 3 was designed, successfully synthesized by a condensation reaction of pyrenecarboxaldehyde (1) with sulfathiazole (2) in good yield, and fully characterized ... -
Novel Ag(I)-NHC complex: synthesis, in vitro cytotoxic activity, molecular docking, and quantum chemical studies
The importance of organometallic complexes in cancer biology has attracted attention in recent years. In this paper, we look for the in vitro cytotoxic capability of novel benzimidazole-based N-heterocyclic carbene ... -
PEPPSI type complexes: Synthesis, x-ray structures, spectral studies, molecular docking and theoretical investigations
Serdaroğlu, Goncagül; Şahin, Neslihan; Üstün, Elvan; Tahir, Muhammad Nawaz; Arıcı, Cengiz; Gürbüz, Nevin; Özdemir, İsmail (2021)In this work, three novel potent benzimidazolium-derived PEPPSI type palladium complexes, namely dichloro[1-allyl-3-benzylbenzimidazole-2-ylidene]pyridine palladium(II) (1), dichloro[1-allyl-3-(1- naphthylmethyl)benzim ... -
Structural, electronic, and spectroscopic study on 1,5‑methanoazocino[4,3‑b]indole synthesized by TFB‑based route
Serdaroğlu, Goncagül (Springer, 2021)This work proposed a new route to synthesizing pharmaceutical important molecules just in three steps. This synthetic route provides an economical way for synthetic chemistry to get the key products concerning the biochemical ... -
Synthesis, identification, density functional and Hirshfeld surface studies of 2,20-disulfanediylbis(tetrahydro-4Hcyclopenta[ d][1,3,2]dioxaphosphole-2-sulfide)
Serdaroğlu, Goncagül (Wiley, 2021)The new compound 2,20-disulfanediylbis (tetrahydro-4H-cyclo penta[d][1,3,2] dioxaphosphole 2-sulfide), the dimeric form of 2-mercaptotetrahydro-4H-cyclopenta [d] [1,3,2] dioxaphosphole 2-sulfide, has been synthesized and ... -
Synthesis, in vitro anticancer activities, and quantum chemical investigations on 1,3-bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex
Serdaroğlu, Goncagül; Şahin-Bölükbaşı, Serap; Barut-Celepçi, Duygu; Sevinçek, Resul; Şahin, Neslihan; Gürbüz, Nevin; Özdemir, İsmail (2021)1,3-Bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex are synthesized and the structures are elucidated using spectroscopies techniques. The molecular and crystal structures of the benzimidazolium ... -
Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles
Serdaroğlu, Goncagül (Elsevier, 2021)Two empirical formulae for estimating the standard entropies of some inorganic ionic solids are proposed. Linear relations are suggested between the standard entropy and the cube root of the formula unit volume as well ...