Chemistry Department, Faculty of Science, Alexandria University, Alexandria, Egypt.
Spectrochim Acta A Mol Biomol Spectrosc. 2012 May;90:93-108. doi: 10.1016/j.saa.2012.01.028. Epub 2012 Jan 25.
New sixteen uric acid metal complexes of different stoichiometry, stereo-chemistries and modes of interactions were synthesized using different metals Cr, Mn, Fe, Co, Ni, Cu, Cd, UO(2), Na and K. The synthesized complexes were characterized by elemental analysis, spectral (IR, UV-Vis and ESR) methods, thermal analysis (TG, DTA and DSC) and magnetic susceptibility studies. Molecular modeling calculations were used to characterize the ligation sites of the free ligand. Furthermore, quantum chemical parameters of uric acid such as the energies of highest occupied molecular orbital (E(HOMO)), energies of lowest unoccupied molecular orbital (E(LUMO)), the separation energy (ΔE=E(LUMO)-E(HOMO)), the absolute electronegativity, χ, the chemical potential, P(i), the absolute hardness, η and the softness (σ) were obtained for uric acid. Eight different microbial categories were used to study the antimicrobial activity of the free ligand and ten of its complexes. The results indicate that the ligand and its metal complexes possess antimicrobial properties. The stoichiometry of iron-uric acid complex was studied by using different spectrophotometric methods.
使用不同的金属 Cr、Mn、Fe、Co、Ni、Cu、Cd、UO(2)、Na 和 K，合成了具有不同化学计量、立体化学和相互作用模式的十六种新型尿酸金属配合物。通过元素分析、光谱（IR、UV-Vis 和 ESR）方法、热分析（TG、DTA 和 DSC）和磁化率研究对合成的配合物进行了表征。分子建模计算用于表征游离配体的配位位置。此外，还获得了尿酸的量子化学参数，如最高占据分子轨道（E(HOMO)）的能量、最低未占据分子轨道（E(LUMO)）的能量、分离能（ΔE=E(LUMO)-E(HOMO)）、绝对电负性χ、化学势 P(i)、绝对硬度 η 和软度（σ）。使用了八种不同的微生物类别来研究游离配体及其十种配合物的抗菌活性。结果表明，配体及其金属配合物具有抗菌性能。使用不同的分光光度法研究了铁-尿酸配合物的化学计量。
