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81.
Zarife Sibel ahin Fatma Sevindi Hasan budak amil Ik 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(10):m314-m318
The title compounds, trans‐bis(trans‐cyclohexane‐1,2‐diamine)bis(6‐methyl‐2,2,4‐trioxo‐3,4‐dihydro‐1,2,3‐oxathiazin‐3‐ido)copper(II), [Cu(C4H4NO4S)2(C6H14N2)2], (I), and trans‐diaquabis(cyclohexane‐1,2‐diamine)zinc(II) 6‐methyl‐2,2,4‐trioxo‐3,4‐dihydro‐1,2,3‐oxathiazin‐3‐ide dihydrate, [Zn(C6H14N2)2(H2O)2](C4H4NO4S)2·2H2O, (II), are two‐dimensional hydrogen‐bonded supramolecular complexes. In (I), the CuII ion resides on a centre of symmetry in a neutral complex, in a tetragonally distorted octahedral coordination environment comprising four amine N atoms from cyclohexane‐1,2‐diamine ligands and two N atoms of two acesulfamate ligands. Intermolecular N—H...O and C—H...O hydrogen bonds produce R22(12) motif rings which lead to two‐dimensional polymeric networks. In contrast, the ZnII ion in (II) resides on a centre of symmetry in a complex dication with a less distorted octahedral coordination environment comprising four amine N atoms from cyclohexane‐1,2‐diamine ligands and two O atoms from aqua ligands. In (II), an extensive two‐dimensional network of N—H...O, O—H...O and C—H...O hydrogen bonds includes R21(6) and R44(16) motif rings. 相似文献
82.
Eno E. Ebenso Taner Arslan Fatma Kandemi̇rlı Ian Love Cemi̇l Öğretır Murat Saracoğlu Savıour A. Umoren 《International journal of quantum chemistry》2010,110(14):2614-2636
Density functional theory (DFT) at the B3LYP/6‐31G (d,p) and BP86/CEP‐31G* basis set levels and ab initio calculations using the RHF/6‐31G (d,p) methods were performed on four sulfonamides (namely sulfaacetamide (SAM), sulfapyridine (SPY), sulfamerazine (SMR), and sulfathiazole (STI)) used as corrosion inhibitors for mild steel in acidic medium to determine the relationship between molecular structure and their inhibition efficiencies (%IE). The order of inhibition efficiency obtained was SMR > SPY > STI > SAM which corresponded with the order of most of the calculated quantum chemical parameters namely EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap (ΔE), the Mulliken charges on the C, O, N, S atoms, hardness (η), softness (S), polarizability (α), dipole moment (μ), total energy change (ΔET), electrophilicity (ω), electron affinity (A), ionization potential (I), the absolute electronegativity (χ), and the fraction of electrons transferred (ΔN). Quantitative structure activity relationship (QSAR) approach has been used and a correlation of the composite index of some of the quantum chemical parameters was performed to characterize the inhibition performance of the sulfonamides studied. The results showed that the %IE of the sulfonamides was closely related to some of the quantum chemical parameters but with varying degrees/order. The calculated %IE of the sulfonamides studied was found to be close to their experimental corrosion inhibition efficiencies. The experimental data obtained fits the Langmuir adsorption isotherm. The negative sign of the EHOMO values and other thermodynamic parameters obtained indicates that the data obtained supports physical adsorption mechanism. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 相似文献
83.
The reaction of 2‐amino‐3‐cyano‐4,5,6,7‐tetrahydrobenzo[b]thiophene ( 1 ) with diethyl malonate ( 2 ) gave two products: 3 and 4 . The reactivity of 3 toward a variety of chemical reagents was studied to give azoles, azines, and their fused derivatives. © 2001 John Wiley & Sons, Inc. Heteroatom Chem 12:168–175, 2001 相似文献
84.
Tahir SAVRAN Abdurrahman KARAG
Z ükriye Nihan KARUK ELMAS Duygu AYDIN Furkan
ZEN Kenan KORAN Fatma Nur ARSLAN Ahmet Orhan G
RGÜLÜ brahim YILMAZ 《Turkish Journal of Chemistry》2020,44(4):1148
A fluorogenic probe based on a coumarin-derivative for Cu2+ sensing in CH3CN/H2O media (v/v, 95/5, 5.0 μM) was developed and applied in real samples. 3-(4-chlorophenyl)-6,7-dihydroxy-coumarin (MCPC) probe was obtained by synthetic methodologies and identified by spectral techniques. The probe MCPC showed remarkable changes with a “turn-off” fluorogenic sensing approach for the monitoring of Cu2+ at 456 nm under an excitation wavelength of 366 nm. The response time of the probe MCPC was founded as only 1 min. The detection limit of the probe MCPC was recorded to be 1.47 nM. The binding constant and possible stoichiometric ratio (1:1) values were determined by Benesi-Hildebrand and Job’s plot systems, respectively. The mechanism of the probe MCPC with Cu2+ was further confirmed by ESI-MS and FT-IR analyses, as well as supported by theoretical calculations. Furthermore, the probe MCPC was successfully employed for the practical applications to sense Cu2+ in different herbal and black tea samples. The proposed sensing method was also verified by ICP-OES method. 相似文献
85.
Mohamed H. Hekal Fatma S. M. Abu El‐Azm Hanan A. Sallam 《Journal of heterocyclic chemistry》2019,56(3):795-803
A series of new N‐substituted isoquinolin‐1,3‐dione derivatives were prepared, starting from reaction of (Z)‐4‐((E)‐3‐phenylallylidene)isochromane‐1,3‐dione 4 with different nitrogen nucleophiles. The assigned structures of the prepared compounds were elucidated by spectral methods (IR, 1H NMR, 13C NMR, and mass spectroscopy). Some of the newly prepared compounds were tested in vitro against a panel of three human tumor cell lines, namely, hepatocellular carcinoma (liver) HepG2, colon cancer HCT‐116, and mammary gland breast MCF‐7. Also, they were tested as antioxidants. Some of the tested compounds showed very strong cytotoxic activity with respect to the standard. 相似文献
86.
87.
Mahmoud Sawsan A. Mohamed Fatma E. El-Sadek B. M. Elsawy M. M. Bendary Samar H. 《Journal of Solid State Electrochemistry》2021,25(8):2345-2360
Journal of Solid State Electrochemistry - In this context, the electrical conductivity and surface activity of cobalt sulphide (CoS) as counter electrode CE is improved by incorporating with... 相似文献
88.
Cemil Aydoan Bekir elebi Aslhan Bayraktar Fatma Ylmaz Adil Denizli Ali Tuncel 《先进技术聚合物》2014,25(8):777-783
A new reactive monolith, poly(3‐chloro‐2‐hydroxypropyl methacrylate‐co‐ethylene dimethacrylate), poly(HPMA‐Cl‐co‐EDMA) was synthesized and post‐functionalized by taurine (2‐aminoethane sulfonic acid) to obtain a zwitterionic stationary phase for capillary electrochromatography. The new stationary phase contained charged groups such as secondary amine providing anodic electroosmotic flow and sulfonic acid groups providing cathodic electroosmotic flow. Hence, the capillary electrochromatography separations with the new zwitterionic monolith were performed with either anodic or cathodic electroosmotic flow. The electrochromatographic separation of alkylbenzenes and phenols was successfully performed. The zwitterionic monolith also allowed the separation of nucleosides using only electrokinetic mode. Theoretical plate numbers up to ~105 plates/m were achieved. Our study is the first report based on poly(HPMA‐Cl‐co‐EDMA) reactive monolith post‐functionalized with a zwitterionic ligand allowing to operate in both anodic and cathodic electroosmotic flow modes. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
89.
A new approach, combining metal coordination with the molecular imprinting technique, was developed to prepare affinity materials. Magnetic poly(glycidyl methacrylate) microspheres in monosize form were used for specific recognition toward the target protein. The magnetic poly(glycidyl methacrylate) microspheres were prepared by dispersion polymerization in the presence of magnetite nanopowder. Surface imprinted magnetic poly(glycidyl methacrylate) microspheres based on metal coordination were prepared and used for the selective recognition of human serum albumin. Iminodiacetic acid was used as the metal coordinating agent and human serum albumin was anchored by Cu2+ ions on the surface of magnetic poly(glycidyl methacrylate) microspheres by metal coordination. The magnetic poly(glycidyl methacrylate) microspheres were coated with a polymer formed by condensation of tetraethyl orthosilicate and 3‐aminopropyltrimethoxysilane. The human serum albumin imprinted magnetic poly(glycidyl methacrylate) microspheres were characterized by scanning electron microscopy, attenuated total reflectance Fourier transform infrared spectroscopy and particle size analysis. The maximum adsorption capacity of human serum albumin imprinted magnetic poly(glycidyl methacrylate) microspheres was 37.7 mg/g polymer at pH 6.0. The selectivity experiments of human serum albumin imprinted magnetic poly(glycidyl methacrylate) microspheres prepared with different concentrations in the presence of lysozyme, bovine serum albumin and cytochrome C were performed in order to determine the relative selectivity coefficients. 相似文献
90.
Shyam Babu Singh Pankaj Kumar Verma Kamleshwar Tiwari Mandavi Singh Preyas Ankit Shahin Fatma 《合成通讯》2014,44(12):1795-1802
An efficient triphenylphosphine-catalyzed synthesis of β-acetamido carbonyls via multicomponent reaction of aromatic aldehydes, enolizable ketones or β-keto esters, acid chlorides and acetonitrile at room temperature is described. The process is remarkably simple, environmentally benign, and uses Lewis base for the first time in such type of reaction. 相似文献