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81.
In order to examine the acidity of organic sulfuric acid derivatives in gas phase, comprehensive density functional theory (DFT) calculations at B3LYP/6-31++G(d,p) level have been undertaken. In the title compounds, one of the oxygen atoms is substituted by an 1,3-cyclopentadiene group. The focus of this paper is on DFT studies of two classes of sulfuric acid derivatives: dithionic and peroxydisulfuric acids. Tautomers of proposed organic sulfuric acids are also investigated. DFT calculations indicate that the acidity of the proposed acids without any electron withdrawing groups on the ring was more than sulfuric acid.
相似文献82.
M. Shaheer Malik Zaki S. Seddigi Shaik Bajee Shaik Azeeza Syed Riyaz Saleh A. Ahmed Ismail I. Althagafi Qazi M. Sajid Jamal Ahmed Kamal 《Journal of Saudi Chemical Society》2019,23(4):503-513
The versatility of multicomponent Biginelli’s reaction is exploited in the development of proline and cyclized cysteine tethered conjugates of monastrol, a kinesin Eg5 inhibitor. Ten new conjugates are synthesized focusing on structural replacement of the ester moiety (C-5 position) of the monastrol backbone with amino acid based amide moieties. On cytotoxic evaluation, conjugate 24 has shown promising in vitro cytotoxic activity against leukemia. Molecular docking studies revealed that the conjugates 19 and 24 exhibit better interaction at kinesin Eg5 receptor compared to monastrol. Moreover, computational calculations and predictions of important molecular properties suggest that these new amino acid based conjugates could be further improved to provide potential anticancer agents. 相似文献
83.
Zaki Nadia G. Mahmoud Walaa H. El Kerdawy Ahmed M. Abdallah Abanoub Mosaad Mohamed Gehad G. 《Research on Chemical Intermediates》2020,46(6):3193-3216
Research on Chemical Intermediates - Reaction of cocaine (Cn) with Ln(III) chloride salts [where Ln?=?La(III), Er(III), and Yb(III)] afforded complexes of the [Ln(Cn)Cl(OH2)3].2Cl type... 相似文献
84.
Agisho Habtamu Abebe Hairat Suboot Zaki Mehvash 《Monatshefte für Chemie / Chemical Monthly》2020,151(4):599-603
Monatshefte für Chemie - Chemical Monthly - A transition metal-free and efficient TBHP/TBAI-mediated protocol has been developed for the synthesis of 4H-chromen-4-ones from chroman-4-ones via... 相似文献
85.
Siamak Shams Es-haghi Robert A. Weiss 《Journal of polymer science. Part A, Polymer chemistry》2022,60(16):2476-2487
A continuum damage model was developed to describe the finite tensile deformation of tough double-network (DN) hydrogels synthesized by polymerization of a water-soluble monomer inside a highly crosslinked rigid polyelectrolyte network. Damage evolution in DN hydrogels was characterized by performing loading-unloading tensile tests and oscillatory shear rheometry on DN hydrogels synthesized from 3-sulfopropyl acrylate potassium salt (SAPS) and acrylamide (AAm). The model can explain all the mechanical features of finite tensile deformation of DN hydrogels, including idealized Mullins effect and permanent set observed after unloading, qualitatively and quantitatively. The constitutive equation can describe the finite elasto-plastic tensile behavior of DN hydrogels without resorting to a yield function. It was showed that tensile mechanics of DN hydrogels in the model is controlled by two material parameters which are related to the elastic moduli of first and second networks. In effect, the ratio of these two parameters is a dimensionless number that controls the behavior of material. The model can capture the stable branch of material response during neck propagation where engineering stress becomes constant. Consistent with experimental data, by increasing the elastic modulus of the second network the finite tensile behavior of the DN hydrogel changes from necking to strain hardening. 相似文献
86.
Jalal Hassan Gholam-Reza Shams Hossein Meighani 《Journal of Analytical Chemistry》2015,70(12):1495-1500
87.
Elsayed Abd El-Rahman Shilkamy Hoda A. El-Shafy Elrouby Mahmoud 《Journal of Solid State Electrochemistry》2021,25(8):2161-2174
Journal of Solid State Electrochemistry - Zinc metal is an important element that can be used for long-life alkaline batteries. In this work, it is found that the addition of minor amounts of... 相似文献
88.
Roshanak Hatamvand Azim Shams Ehsan Mohammadifar Abdollah Yari Mohsen Adeli 《Journal of polymer science. Part A, Polymer chemistry》2019,57(13):1430-1439
Despite the outstanding properties of hyperbranched polyglycerols such as biocompatibility and multifunctionality, enough attention has not been paid to the synthesis of their functional copolymers. This problem has limited the structural diversity of hyperbranched polyglycerols and hampers further developments and their practical usage. In this work, butyrolactone segments were incorporated into the backbone of polyglycerols by one‐pot ring‐opening copolymerization of a mixture of glycidol and γ‐butyrolactone in the presence of tin(II) 2‐ethylhexanoate. Poly(glycerol‐oligoγ‐butyrolactone)s were then crosslinked by 2,5‐thiophenediylbisboronic acid to obtain polymeric nanonetworks with 140 nm average size. Afterwards, the gold electrode was modified by the polymeric nano‐networks, and it was used for the determination of glucose, glycated hemoglobin, and Escherichia coli in phosphate buffer solution (pH = 9.0) through cyclic voltammetry and impedance spectroscopic. Taking advantage of the straightforward synthesis, cheap precursors and multifunctionality of poly(glycerol‐oligoγ‐butyrolactone)s, they could be used for real‐time sensing of a wide range of biosystems. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 1430–1439 相似文献
89.
90.
Khaligh Nader Ghaffari Gorjian Hayedeh Fahim Hoda Titinchi Salam J. J. 《Research on Chemical Intermediates》2021,47(9):3529-3536
Research on Chemical Intermediates - An efficient solid/slurry-state synthesis of arylidene and alkylidene malonates as versatile intermediates is developed in the presence of mesoporous... 相似文献