Synthesis, Spectral, Thermal Analyses and Molecular Modeling of Bioactive Cu(II)-complexes with 1,3,4-thiadiazole Schiff Base Derivatives. Their Catalytic Effect on the Cathodic Reduction of Oxygen

Abdalla M. Khedr; Hadi M. Marwani

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Synthesis, Spectral, Thermal Analyses and Molecular Modeling of Bioactive Cu(II)-complexes with 1,3,4-thiadiazole Schiff Base Derivatives. Their Catalytic Effect on the Cathodic Reduction of Oxygen

机译：具有1,3,4-噻二唑席夫碱衍生物的生物活性Cu（II）配合物的合成，光谱，热分析和分子建模。它们对氧气阴极还原的催化作用

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New mono- and binuclear copper(II) complexes with Schiff bases derived from the condensation of 2- amino-5-substituted-aryl-1,3,4-thiadiazole with substituted aryl aldehydes were synthesized. The1 complexes were characterized by elemental analyses, molar conductivity, magnetic moment, IR, HNMR, electronic, ESR and mass spectrometry as well as thermal analyses. The conductivity data of thecomplexes confirmed their non-electrolytic nature. An octahedral geometry was suggested for complex1, square-planar geometry proposed for complex 2 and square pyramidal structure suggested forcomplexes 3-7. The 3D molecular modeling of a representative complex was carried out on a CSChem 3-D Ultra Molecular Modeling and Analysis Program. The synthesized complexes and ligandswere screened in-vitro for their antimicrobial activity against gram-positive bacteria (Staphylococcusaureus), gram-negative bacteria (Escherichia coli) and fungi (Aspergillus flavus and Candidaalbicans). In most cases, metallation increased the antimicrobial activity compared with the freeligands. Also, the catalytic effect of the prepared complexes on the cathodic reduction of oxygen wasstudied.

机译：合成了由2-氨基-5-取代的芳基-1,3,4-噻二唑与取代的芳基醛缩合得到的具有席夫碱的新型单核和双核铜（II）配合物。通过元素分析，摩尔电导率，磁矩，IR，HNMR，电子，ESR和质谱以及热分析来表征这1种配合物。复合物的电导率数据证实了它们的非电解性质。建议为complex1建议使用八面体几何形状，建议为complex 2建议使用方平面几何形状，而建议为complex 3-7建议采用方形锥体结构。代表性复合物的3D分子建模是在CSChem 3-D超分子建模和分析程序上进行的。体外筛选了合成的复合物和配体对革兰氏阳性菌（Staphylococcusaureus），革兰氏阴性菌（大肠杆菌）和真菌（黄曲霉和白色念珠菌）的抗菌活性。在大多数情况下，与游离配体相比，金属化增加了抗菌活性。而且，研究了所制备的配合物对氧的阴极还原的催化作用。

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《International Journal of Electrochemical Science》 |2012年第10期|共20页
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Abdalla M. Khedr; Hadi M. Marwani;
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1. Synthesis, Spectral, Thermal Analyses and Molecular Modeling of Bioactive Cu(II)-complexes with 1,3,4-thiadiazole Schiff Base Derivatives. Their Catalytic Effect on the Cathodic Reduction of Oxygen [J] . Abdalla M. Khedr, Hadi M. Marwani International Journal of Electrochemical Science . 2012,第10期

机译：具有1,3,4-噻二唑席夫碱衍生物的生物活性Cu（II）配合物的合成，光谱，热分析和分子建模。它们对氧气阴极还原的催化作用
2. Synthesis, spectral, thermal analyses, molecular modeling, and antimicrobial activities of Cu(II)-complexes with 1,3,4-oxadiazole Schiff-base derivatives [J] . ABDALLA M. KHEDR, NADIA A. EL-WAKIEL, SUDHA JADON Journal of Coordination Chemistry . 2011,第5a6期

机译：具有1,3,4-恶二唑席夫碱衍生物的Cu（II）配合物的合成，光谱，热分析，分子建模和抗菌活性
3. Synthesis, spectral and thermal studies of Co(II), Ni(II), Cu(II) and Zn(II) complexes of Schiff bases derived from 2-amino-5-aryl-1,3,4-thiadiazole [J] . Nath M., Vashistha S., Kumar A. Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry . 1998,第6期

机译：衍生自2-氨基-5-芳基-1,3,4-噻二唑的席夫碱的Co（II），Ni（II），Cu（II）和Zn（II）配合物的合成，光谱和热学研究
4. Synthesis and antibacterial activity of several nonvel schiff bases bearing acetylferrocenyl and 2-amino-5-substituted-1,3,4-thiadiazole [C] . Yuting Liu, Shu Chen, Dawei Yin International Conference on Chemical, Material and Metallurgical Engineering . 2012

机译：几种非平均席夫碱的合成及抗菌活性轴承乙酰比基烯基和2-氨基-5-取代-1,3,4-噻唑的1,3,4-噻唑
5. Synthesis and Characterization of Nickel(II) Complexes of Schiff Bases and Other Ligands as Potential Models for Molecular Magnets. [D] . Ayikoe, Kouassi. 2011

机译：席夫碱和其他配体的镍（II）配合物的合成和表征，作为分子磁体的潜在模型。
6. Antibacterial Co(II), Cu(II), Ni(II) and Zn(II) Complexes of Thiadiazoles Schiff Bases [O] . Zahid H. Chohan, Maimoon F. Jaffery, Claudiu T. Supuran 1947

机译：噻二唑席夫碱的抗菌Co（II），Cu（II），Ni（II）和Zn（II）配合物
7. Synthesis, Spectral Characterization, Molecular Modeling, and Antimicrobial Studies of Cu(II), Ni(II), Co(II), Mn(II), and Zn(II) Complexes of ONO Schiff Base [O] . Padmaja Mendu, J. Pragathi, B. Anupama, 2012

机译：ONO Schiff基地的Cu（II），Ni（II），Ni（II），CO（II），Mn（II）和Zn（II）复合物的合成，光谱表征，分子建模和抗微生物研究

Synthesis, Spectral, Thermal Analyses and Molecular Modeling of Bioactive Cu(II)-complexes with 1,3,4-thiadiazole Schiff Base Derivatives. Their Catalytic Effect on the Cathodic Reduction of Oxygen

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