Pt(II) complexes of 4-amino-4H-1,2,4-triazole

Kavlakova, M.; Bakalova, Adriana; Momekov, Georgi; Ivanov, D.

doi:10.1080/00958972.2010.516432

Cited by 8 publications

(3 citation statements)

References 40 publications

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“…According to the FTIR spectra of DOPO‐SGA shown in Figure a, the peak intensity of CO at 1668 cm −1 of syringaldehyde attenuated. [ 32 ] The sharp peaks of the NH 2 group in GA at 3398 and 3316 cm −1[ 33 ] became round. The P‐H of DOPO at 2435 cm −1[ 34 ] was difficult to be observed in DOPO‐SGA, indicating the chemical linking between SGA and DOPO.…”

Section: Resultsmentioning

confidence: 99%

Synthesis of a DOPO Derivative to Improve the Fire Safety and Mechanical Performance of Epoxy Resin

Hua

Jun

Jiang

et al. 2022

Macro Materials & Eng

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A 9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide (DOPO) derivative is prepared. At first, an intermediate 4,4'‐((triazole)bis(azaneylylidene)bis(2,6‐dimethoxyphenol)) (SGA) is obtained from the Schiff‐base reaction between syringaldehyde (S) and 3,5‐diamino‐1,2,4‐triazole (GA). The further product DOPO‐SGA is then introduced into epoxy by blending to improve flame retardancy and mechanical properties. The flammability evaluation is implemented by limited oxygen index (LOI), UL‐94, and cone calorimeter tests. The presence of 3wt.% DOPO‐SGA increases the LOI to 33.2%, upgrades the UL‐94 rating to V‐0, and reduces the release of smoke and heat of epoxy. The tensile strength and impact strength are also enhanced after the introduction of DOPO‐SGA. The addition of 5% DOPO‐SGA increases the tensile strength and impact strength by 47% and 42%, respectively, compared with that of the control EP sample. It is suggested that the mechanical strengthening is ascribed to the ternary cross‐linked network among epoxy monomer, curing agent, and DOPO‐SGA. This work provides a feasible solution to obtain flame‐retardant epoxy resin with enhanced mechanical performance.

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Section: Resultsmentioning

confidence: 99%

Synthesis of a DOPO Derivative to Improve the Fire Safety and Mechanical Performance of Epoxy Resin

Hua

Jun

Jiang

et al. 2022

Macro Materials & Eng

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“…The corresponding ʋ NH2 s is observed as a split IR band at 3277 and 3180 cm -1 . This phenomenon is common in systems with asymmetric hydrogen bonding involving the primary amino group, and it is caused by the Fermi resonance splitting of the corresponding band for ʋ NH2 s [15]. The corresponding values for and should be 3570 and 3482 cm -1 , respectively.…”

Section: Assignment Of Vibrational Spectramentioning

confidence: 99%

“…A study by Dirtu [14] worked on the crystal structures and synthesis of Cu(II) [NH2trz] mononuclear complexes. In another study, the structure and spectroscopic properties of the Pt (II) complex of the 4-AHT molecule were investigated using various spectroscopic techniques (IR, 1 Hand 13 C-NMR, UV-Vis, and mass spectroscopy) [15].…”

Section: Introductionmentioning

confidence: 99%

Investigations on spectroscopic characterizations, molecular docking, NBO, drug-Likeness, and ADME properties of 4H-1,2,4-triazol-4-amine by combined computational approach

Celik

Yurdakul

2021

Eur J Chem

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In this study, the spectroscopic characterization, frontier molecular orbital analysis, and natural bond orbital analysis (NBO) analysis were executed to determine the movement of electrons within the molecule and the stability, and charge delocalization of the 4H-1,2,4-triazol-4-amine (4-AHT) through density functional theory (DFT) approach and B3LYP/6-311++G(d,p) level of theory. Surface plots of the hybrids’ Molecular Electrostatic Potential (MEP) revealed probable electrophilic and nucleophilic attacking sites. The discussed ligand were observed to be characterized by various spectral studies (FT-IR, UV-Vis). The calculated IR was found to be correlated with experimental values. The UV-Vis data of the molecule was used to analyze the visible absorption maximum (λmax) using the time-dependent DFT method. Since the principle of drug-likeness is usually used in combinatorial chemistry to minimize depletion in pharmacological investigations and growth, drug-likeness and ADME properties were calculated in this research to establish 4-AHT molecule bioavailability. Furthermore, molecular docking studies were carried out. Molecular docking analysis was performed for the title ligand inside the active site of the Epidermal Growth Factor Receptor (EGFR). The title compound’s anti-tumor activity against the cancer cell, in which EGFR is strongly expressed, prompted us to conduct molecular docking into the ATP binding site of EGFR to predict whether this molecule has an analogous binding mode to the EGFR inhibitors (PDB: ID: 1M17).

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Platinum iodido complexes: A comprehensive overview of anticancer activity and mechanisms of action

Štarha

Vančo

Trávníček

2019

Coordination Chemistry Reviews

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Pt(II) complexes of 4-amino-4H-1,2,4-triazole

Cited by 8 publications

References 40 publications

Synthesis of a DOPO Derivative to Improve the Fire Safety and Mechanical Performance of Epoxy Resin

Synthesis of a DOPO Derivative to Improve the Fire Safety and Mechanical Performance of Epoxy Resin

Investigations on spectroscopic characterizations, molecular docking, NBO, drug-Likeness, and ADME properties of 4H-1,2,4-triazol-4-amine by combined computational approach

Platinum iodido complexes: A comprehensive overview of anticancer activity and mechanisms of action

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