2022
DOI: 10.1016/j.molstruc.2022.133126
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Development of azithromycin–Pd mono nanocomposite: Synthesis, physicochemical, characterization and TD-DFT calculations

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Cited by 28 publications
(8 citation statements)
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“…The peak 2580 cm −1 represents S-H stretching and other modes at 2824, 3043 and 3172 cm −1 are due to O-H stretching (of carboxylic acid).Also the observed peaks observed in this composite are slightly shifted to that seen in case of pristine MnO 2 and PANI. 30,31 This observation clear indicates that an interaction between metal oxide and polymer is going on in the composite format. 32 These findings are further supported by its XRD data.…”
Section: Resultsmentioning
confidence: 80%
“…The peak 2580 cm −1 represents S-H stretching and other modes at 2824, 3043 and 3172 cm −1 are due to O-H stretching (of carboxylic acid).Also the observed peaks observed in this composite are slightly shifted to that seen in case of pristine MnO 2 and PANI. 30,31 This observation clear indicates that an interaction between metal oxide and polymer is going on in the composite format. 32 These findings are further supported by its XRD data.…”
Section: Resultsmentioning
confidence: 80%
“…These energy terms are based on the all-atom vacuum force field with added functions to account for solvation free energy, desolvation energy and entropic contribution. It was shown that after each random step, full local minimization greatly improves the efficiency of the procedure (Abd El-Aal et al 2022;Al-Hossainy et al 2021;Ibrahim et al 2020;Mohamed et al 2022;Zwawi et al 2021). The ICM program relies on global optimization of the entire flexible ligand in the receptor field and combines large-scale random moves of several types with gradient local minimization and a search history mechanism (Arthur et al 2018).…”
Section: Preparation Of Receptormentioning
confidence: 99%
“…Its spectrum of action, acid stability, oral bioavailability, and pharmacokinetics is better than that of erythromycin. Because of its potency against germs, prolonged half-life, high tissue permeability, and few side effects, Az is one of the most frequently given antibiotics worldwide. , …”
Section: Introductionmentioning
confidence: 99%
“…Because of its potency against germs, prolonged half-life, high tissue permeability, and few side effects, Az is one of the most frequently given antibiotics worldwide. 30,31 The current work reviews contemporary time-dependent density functional theory (TD-DFT) applications (DMol 3 and CASTEP methodologies) for studying (antibiotic + dye) blend matrix structures, copolymer phase stability, and nanocomposite compounds. 32 This comprehensive energy-based technique has received less attention for its application in the estimation and study of spectroscopic characteristics.…”
Section: Introductionmentioning
confidence: 99%
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