Schiff base

In this paper, the calculation was done to determine the magnetic exchange of the studied molecules, Schiff base complexes via DFT calculations. Using the ZORA approach with the BP86 functionals and appropriate basis set def2-tzvp and Coulomb fitting, the optimized geometries were obtained with reliable accuracy and precision. The dipole moment was calculated.

5p vikwong 29-09-2024 5 1   Download

A series of Cu(II), Co(II), and Zn(II), mononuclear Schiff base complexes were studied and characterized by DFT calculations. The ligand was derived from the experiment of condensing 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)- dione with o-phenylenediamine.

5p vikwong 29-09-2024 1 1   Download

In recent times many research activities have been carried out to prove the metal ion detection ability of Schiff bases. [13,14] In the present study, a new Schiff base has been synthesized from 5-bromo-2- hydroxybenzaldehyde and naphthalene-1,8-diamine and it is complexated with Co(II), Ni(II), Cu(II) and Zn(II) ions. The biological application of all the compounds has been analyzed and metal ions recognition property of the Schiff base has also been studied.

16p dianmotminh02 03-05-2024 8 2   Download

The geometries and relative stabilities of 15 tautomeric forms and the corresponding isomers of the studied molecules have been identified and their relative stabilities are investigated. The potential energy profiles and intrinsic reaction coordinates (IRC) calculations along the proton transfer coordinates both in the ground and in the excited state are monitored as well. The impact of the donating (OMe) and withdrawing (NO2) groups on the single and double proton transfers are investigated both in the gas phase and solution.

9p dianmotminh02 03-05-2024 10 2   Download

Bài viết trình bày tổng hợp và thử hoạt tính kháng khuẩn của các dẫn chất 1,3-benzodioxole. Kết quả nghiên cứu gợi ý về sự phối hợp giữa nhóm base Schiff và khung 1,3-benzodioxole trong phát triển các chất kháng khuẩn mới.

6p vipierre 30-09-2023 8 3   Download

The complexation activity of NADO with various metal ions in an ethanolic solution is specifically studied by means of fluorescent spectra. The NADO exhibits a significant fluorescence enhancement at 469 nm in presence of Al3 þ due to the formation of a complex.

8p tamynhan4 06-09-2020 10 2   Download

A new series of transition metal complexes of Co(III), Ni(II) and VO(IV) was synthesized with the bidentate Schiff base ligand (HL) derived from the condensation of 2-amino-3-benzyloxypyridine and 5-bromo salicylaldehyde.

14p tocectocec 25-05-2020 23 2   Download

New ruthenium(III) complexes with 3-(Benzothiazol-2-yliminomethyl)-phenol (HL) ligand have been synthesized and characterized with the aid of elemental analysis, IR, electronic, and electron paramagnetic resonance spectroscopic techniques.

12p tocectocec 25-05-2020 10 2   Download

A group of new fluoroaniline Schiff bases (3a–3f) were synthesized and structurally characterized by various spectroscopic techniques such as 1H-NMR, LC-MS and FT-IR spectral studies.

8p tocectocec 25-05-2020 14 1   Download

The mechanism of corrosion inhibition was explored and supplemented by adsorption and surface morphological studies. Quantum mechanical investigations on corrosion behaviour of compounds were also conducted and satisfying correlation was noticed between the results of corrosion measurement methods and quantum mechanical evaluations.

12p tocectocec 25-05-2020 19 2   Download

The corrosion inhibition efficiencies of two novel Schiff bases, namely (E)-3-[thiophen-2-lmethyleneamino]benzoic acid (T2YMABA) and (E)-4-(5-[(2-phenylhydrazono) methyl]thiophen-2-yl)benzoic acid (PHMT2YBA) on mild steel (MS) in 1.0M HCl solution has been investigated and compared using electrochemical impedance spectroscopy and potentiodynamic polarization analysis.

10p tocectocec 25-05-2020 19 2   Download

Chứa trong cấu trúc nhóm chức imin tương tự các base Schiff, các dẫn chất hydrazon thể hiện tiềm năng có nhiều hoạt tính sinh học trong đó có hoạt tính kháng khuẩn, kháng nấm. Một số nghiên cứu cho thấy nhóm dẫn chất hydrazon có khả năng ức chế pyruvat kinase của MRSA cũng như ức chế FabH của các vi khuẩn gram dương lẫn gram âm. Nghiên cứu trên nhóm cấu trúc này có thể tìm được các hợp chất có tác dụng kháng khuẩn tốt với đích tác động khác so với các kháng sinh cổ điển.

6p viachilles2711 10-10-2019 53 3   Download

Nội dung bài viết trình bày về tổng hợp và thử hoạt tính kháng khuẩn của các base schiff (được tổng hợp từ 5-bromosalicyaldehyd) và các dẫn chất amin tương ứng, khả năng gắn kết ở mức độ phân tử của các chất tổng hợp với enzym FabH của staphylocoocus aureus được minh họa bằng nghiên cứu ‘docking’.

6p hanh_hoa96 04-12-2018 65 1   Download

Bài viết với mục tiêu nhằm khảo sát các điều kiện phù hợp cho phản ứng tổng hợp base schiff từ sulfanilamid và các aldehyd thơm, khảo sát hoạt tính trên một số chủng nấm men và nấm da của các chất tổng hợp được, phân tích mối liên quan cấu trúc - hoạt tính.

6p hanh_thom96 03-12-2018 54 1   Download

Tetravalent chemistry: Inorganic. This chapter gives an overview on the chemistry of tetravalent lanthanide compounds, especially those of tetravalent cerium. Following a brief Introduction it covers the tetrahalides, dioxides and other lanthanides(IV) salts. Coordination compounds of cerium in the oxidation state +4 include halogeno complexes and complexes of oxo acids, β-diketonates and related Schiff-base complexes as well as porphyrinates and related complexes.

13p duchlpr 01-05-2018 23 0   Download

Gossypol, a yellow pigment, isolated from cotton seeds, exhibits many interesting biological activities: antitumor, antimalarial, anti-HIV [1]. But gossypol is toxic and this toxicity may be related to the two-functional aldehyde groups [2]. Many authors prepared the Schiff’s’ base adducts of gossypol from 1985 to 2002, but these authors did not pay attention to the factor that these adducts may present under or the imine form or the enamine one.

5p uocvong04 24-09-2015 37 5   Download

bR, N-like and O-like intermediate states of [ 15 N]methionine-labelled wild type and D85N⁄T170C bacteriorhodopsin were accumulated in native membranes by controlling the pH of the preparations. 15 N cross polariza-tion and magic angle sample spinning (CPMAS) NMR spectroscopy allowed resolution of seven out of nine resonances in the bR-state. It was possible to assign some of the observed resonances by using 13 C⁄ 15 N rota

0p awards 06-04-2013 26 3   Download

For bovine serum amine oxidase, two different mechanisms of substrate-induced inactivation have been proposed. One consists of a slow oxidation by H2O2of a conserved residue in the reduced enzyme after the fast turnover phase [Pietr-angeli, P., Nocera, S., Fattibene, P., Wang, X.T., Mondovı`, B. &Morpurgo, L. (2000)Biochem. Biophys. Res. Commun. 267, 174–178] and the other of the oxidation byH2O2of the dihydrobenzoxazole in equilibrium with the product Schiff base, during the catalytic cycle [Lee, Y., Shepard, E., Smith, J., Dooley, D.M. & Sayre, L.M. (2001)Biochemistry40, 822–829]. ...

7p dell39 03-04-2013 47 3   Download

Tuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành hóa học dành cho các bạn yêu hóa học tham khảo đề tài: Antioxidant, antimicrobial, and theoretical studies of the thiosemicarbazone derivative Schiff base 2-(2-imino-1-methylimidazolidin-4-ylidene)hydrazinecarbothioamide (IMHC)

23p sting06 16-02-2012 52 7   Download

Phase-transfer-catalyzed alkylation of glycinate Schiff base with racemic secondary alkyl halides proceeded with excellent levels of synand enantioselectivities under the influence of a chiral quaternary ammonium bromide and 18- crown-6. The alkylation product can be selectively converted to the corresponding anti isomer, allowing the preparation of all the stereoisomers of β-alkyl-α-amino acid derivatives.

12p heoxinhkute 19-07-2010 83 5   Download