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Khlood?S.?Abu-Melha Nashwa?M.?El-MetwallyEmail author 《Transition Metal Chemistry》2007,32(6):828-834
Some new complexes were synthesized using pyrol-2-carbaldhyde thiocarbohydrazone ligand and characterized using physicochemical
techniques. The i.r. data reveal that, the ligand acts as a mononegative tetradentate in NiII and CuII binuclear complexes. Also, they coordinate as mononegative tridentates with CoII, CdII and VO2+ ions but in the neutral state with PtIV ion in a mononuclear monomer structure for CoII and CdII complexes, but binuclear dimer structure through bridged sulphate for the VO2+ complex. The magnetic moment beside the electronic spectral data proposed the complex geometries as a mixed stereochemistry
for NiII, square-planar for CuII, square-pyramidal for VO2+ and octahedral for the other complexes. The thermal analysis supports the proposal of the presence or absence of water molecule
in or outside the coordination sphere. The EPR spectra of CuII and VO2+ complexes were illustrated elaborately and some theoretical data were abstracted from EPR curves to support the proposed
structures. 相似文献
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Abu-Melha KS El-Metwally NM 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2008,70(2):277-283
The coordination behavior of bis (benzylthiocarbohydrazone) as a macrocyclic ligand (H(2)BBTC), towards Co(II), Ni(II), Cu(II) nitrates, Cd(II) and Pt(IV) chlorides as well as VO(2+) sulphate has been investigated. The elemental analysis, magnetic moments, spectral (UV-vis, IR, (1)H NMR and EPR) with thermal studies were used to characterize the isolated complexes. The IR spectra showed that the ligand acts as a binegative hexadentate donor through NH groups and thiol S atoms. Electronic and magnetic data proposed the octahedral structure for all complexes under investigation, except VO(2+), is a square-pyramidal geometry. EPR spectra for VO(2+) and Cu(II) reveal data confirmed the proposed structures. The ionization constants (pK(1)=8.3 and pK(2)=7.7) of the ligand and the stability constants of its complexes in solution were determined. The TG analysis for most complexes supports the absence of solvent molecules in or out the coordination sphere through the high thermal stability observed on the thermal curves for the investigated complexes. 相似文献
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Sraa Abu-Melha Mastoura Mohamed Edrees Musa A. Said Sayed M. Riyadh Nadia S. Al-Kaff Sobhi M. Gomha 《Molecules (Basel, Switzerland)》2022,27(2)
A novel series of 1-aryl-N-[4-phenyl-5-(arylazo)thiazol-2-yl)methanimines has been synthesized via the condensation of 2-amino-4-phenyl-5-arylazothiazole with various aromatic aldehydes. The synthesized imines were characterized by spectroscopic techniques, namely 1H and 13C-NMR, FTIR, MS, and Elemental Analysis. A molecular comparative docking study for 3a–f was calculated, with reference to two approved drugs, Molnupiravir and Remdesivir, using 7BQY (Mpro; PDB code 7BQY; resolution: 1.7 A°) under identical conditions. The binding scores against 7BQY were in the range of −7.7 to −8.7 kcal/mol for 3a–f. The high scores of the compounds indicated an enhanced binding affinity of the molecules to the receptor. This is due to the hydrophobic interactions and multi-hydrogen bonds between 3a–f ligands and the receptor’s active amino acid residues. The main aim of using in silco molecular docking was to rank 3a–f with respect to the approved drugs, Molnupiravir and Remdesivir, using free energy methods as greener pastures. A further interesting comparison presented the laydown of the ligands before and after molecular docking. These results and other supporting statistical analyses suggested that ligands 3a–f deserve further investigation in the context of potential therapeutic agents for COVID-19. Free-cost, PASS, SwissADME, and Way2drug were used in this research paper to determine the possible biological activities and cytotoxicity of 3a–f. 相似文献
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Wed Mohammed Ali Alaerjani Sraa Abu-Melha Rahaf Mohammed Hussein Alshareef Badriah Saad Al-Farhan Hamed A. Ghramh Badria Mohammed Abdallah Al-Shehri Majed A. Bajaber Khalid Ali Khan Munira M. Alrooqi Gad Allah Modawe Mohammed Elimam Ahamed Mohammed 《Molecules (Basel, Switzerland)》2022,27(15)
Honey is known for its content of biomolecules, such as enzymes. The enzymes of honey originate from bees, plant nectars, secretions or excretions of plant-sucking insects, or from microorganisms such as yeasts. Honey can be characterized by enzyme-catalyzed and non-enzymatic reactions. Notable examples of enzyme-catalyzed reactions are the production of hydrogen peroxide through glucose oxidase activity and the conversion of hydrogen peroxide to water and oxygen by catalase enzymes. Production of hydroxymethylfurfural (HMF) from glucose or fructose is an example of non-enzymatic reactions in honey. 相似文献
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Saraa Abu-Melha Sobhi M. Gomha Amr S. Abouzied Mastoura M. Edrees Ahmed S. Abo Dena Zeinab A. Muhammad 《Molecules (Basel, Switzerland)》2021,26(14)
Pyridazine and thiazole derivatives have various biological activities such as antimicrobial, analgesic, anticancer, anticonvulsant, antitubercular and other anticipated biological properties. Chitosan can be used as heterogeneous phase transfer basic biocatalyst in heterocyclic syntheses. Novel 1-thiazolyl-pyridazinedione derivatives were prepared via multicomponent synthesis under microwave irradiation as ecofriendly energy source and using the eco-friendly naturally occurring chitosan basic catalyst with high/efficient yields and short reaction time. All the prepared compounds were fully characterized by spectroscopic methods, and their in vitro biological activities were investigated. The obtained results were compared with those of standard antibacterial/antifungal agents. DFT calculations and molecular docking studies were used to investigate the electronic properties and molecular interactions with specific microbial receptors. 相似文献
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