The doctor who influenced me most: Divyen Shah on Sherbaan ben

Shah, Devina

doi:10.1136/bmj.325.7378.s211a

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“…They have excellent properties as treatment of wastewater, semiconducting catalytic properties, in metal recovery, in protective coating, as antifouling paints and anti-fungal properties. [10,[25][26][27] Uranyl polymer complexes of ligands (HL x ) are synthesized and characterized by using various spectroscopic techniques for identifying its structures and geometries. The geometrical studies of the ligands (HL x ) and their tautomeric forms are optimized theoretically.…”

Section: Introductionmentioning

confidence: 99%

Polymer complexes. LXXVIII. Synthesis and characterization of supramolecular uranyl polymer complexes: Determination of the bond lengths of uranyl ion in polymer complexes

Diab

Nozha

El‐Sonbati

et al. 2019

Applied Organom Chemis

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The UO2(II) polymer complexes (1–5) of azo dye ligands 5(4`‐derivatives phenylazo)‐8‐hydroxy‐7‐quinolinecarboxaldehyde (HLx) were prepared and characterized by elemental analysis, 1H NMR, IR spectra, thermal analysis and X‐ray diffraction analysis (XRD). The molecular geometrical structures and quantum chemical of the ligands (HLx) and their tautomeric forms (D and G) were calculated. Molecular docking between the HLx ligands and their tautomeric form with two receptors of the breast cancer (1JNX) and the prostate cancer (2Q7K) was discussed. From the histogram of the HOMO–LUMO energy gap (ΔE) and the estimated free energy of binding of the receptors of prostate cancer (2Q7K) and breast cancer (1JNX) for the ligands (HLx), it is observed that the ΔE values of the ligands (HLx) increases in the order HL2 < HL3 < HL4 < HL1 < HL5. The electronic structures and coordination were determined from a framework for the modeling of the formed polymer complexes. From the IR spectra of the polymer complexes, the symmetric stretching frequency υ3 values of UO22+ were used for the determination of the force constant (FU‐O (in 10−8 N/Ả)) and the bond length (RU‐O (Ả)) of the U–O bond by using Wilson, G. F. matrix method, McGlynn & Badger's formula and El‐Sonbati equations. The plot of the bond distance rU‐O (r1, r2, r3, and rt) vs. υ3 was showed straight lines with increase in the value of υ3 and decrease in rU‐O.

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Section: Introductionmentioning

confidence: 99%