pH‐Dependent Chromogenic and Smartphone‐Assisted Detection of Fe(III) by Acid‐Sensitive 1,2‐Biphenyl‐Substituted Benzimidazole 1,2,3‐Triazole Hybrids: In Vitro Anticancer Property Evaluation and In Silico Inhibition of Breast Cancer Estrogen Receptor Mutant L536S DOI
Gurjaspreet Singh,

Tsering Diskit,

Puspa

и другие.

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(5)

Опубликована: Апрель 9, 2025

ABSTRACT The detection of Fe(III) ions and monitoring pH conditions are vital for safety, efficiency, sustainability in scientific research, environmental management, industrial applications. In this study, two 1,2‐biphenyl‐substituted benzimidazole‐1,2,3‐triazole hybrids, Pact Oact, were designed, developed, characterized by various spectroscopic techniques including single‐crystal XRD analysis. demonstrated high sensitivity selectivity towards under physiological pH, confirmed through visual tests, UV–visible, fluorescence spectroscopy, with limits (LOD) 0.3 (emission) 0.07 nM (absorption). A 1:1 ligand‐to‐metal binding ratio was established Job's plot supported NMR, mass, VSM, FT‐IR analyses. RGB tool (LOD: 3.4 mM) a paper kit test its portable reversible nature, validated EDTA suggesting potential molecular logic gate Environmental highlighted real water sample analysis, while DFT calculations identified favorable metal sites. Additionally, exhibited highly acidic conditions, containing nitro group, showed superior vitro anticancer activity against HeLa cells compared to Pact, higher score (−9.10 kcal/mol vs. −8.63 kcal/mol) docking studies the breast cancer estrogen receptor mutant L536S (PDB ID: 6sbo). Antioxidant assays further Oact's enhanced radical scavenging potential.

Язык: Английский

Bis-Schiff base for selective detection of Al(III) and citric acid: Real sample analysis, anticancer potential and docking study DOI
Gurjaspreet Singh,

Jigmat Stanzin,

Anita Devi

и другие.

Inorganica Chimica Acta, Год журнала: 2024, Номер 569, С. 122148 - 122148

Опубликована: Май 17, 2024

Язык: Английский

Процитировано

6
Anthracene‐Based Schiff Base Allied Triazolyl Silatranes: A Comparison of Stability and Biological Activity With Open Analog Silane DOI Open Access
Gurjaspreet Singh,

Pawan,

Manickam Selvaraj

и другие.

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(2)

Опубликована: Янв. 9, 2025

ABSTRACT In this article, we have synthesized a series of anthracene‐based triazolyl silatranes (ABSiT 1–7) using their open analogs, that is, tri‐ethoxysilanes via transesterification reaction. All compounds been characterized FTIR, NMR ( 1 H and 13 C), DFT techniques, TGA/DSC analysis to identify the stability melting temperatures. The prepared were subsequently subjected hydrolysis compare with open‐chain counterparts explore behavior under hydrolytic conditions. data demonstrate are about three times less prone attack by water than organo‐triethoxysilane hydrolytically more stable. Moreover, thermal pH checked, it was found stable up temperature range 400°C at 9.4, thus indicating corresponding silanes higher temperatures large range. all tested for antioxidant cytotoxicity activities, results disclosed efficacy. A molecular docking study showed interactions Mutant p53 antitumor protein binding affinity in −8.0 −9.0 kcal/mol identified as potent inhibitors.

Язык: Английский

Процитировано

0
pH‐Dependent Chromogenic and Smartphone‐Assisted Detection of Fe(III) by Acid‐Sensitive 1,2‐Biphenyl‐Substituted Benzimidazole 1,2,3‐Triazole Hybrids: In Vitro Anticancer Property Evaluation and In Silico Inhibition of Breast Cancer Estrogen Receptor Mutant L536S DOI
Gurjaspreet Singh,

Tsering Diskit,

Puspa

и другие.

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(5)

Опубликована: Апрель 9, 2025

ABSTRACT The detection of Fe(III) ions and monitoring pH conditions are vital for safety, efficiency, sustainability in scientific research, environmental management, industrial applications. In this study, two 1,2‐biphenyl‐substituted benzimidazole‐1,2,3‐triazole hybrids, Pact Oact, were designed, developed, characterized by various spectroscopic techniques including single‐crystal XRD analysis. demonstrated high sensitivity selectivity towards under physiological pH, confirmed through visual tests, UV–visible, fluorescence spectroscopy, with limits (LOD) 0.3 (emission) 0.07 nM (absorption). A 1:1 ligand‐to‐metal binding ratio was established Job's plot supported NMR, mass, VSM, FT‐IR analyses. RGB tool (LOD: 3.4 mM) a paper kit test its portable reversible nature, validated EDTA suggesting potential molecular logic gate Environmental highlighted real water sample analysis, while DFT calculations identified favorable metal sites. Additionally, exhibited highly acidic conditions, containing nitro group, showed superior vitro anticancer activity against HeLa cells compared to Pact, higher score (−9.10 kcal/mol vs. −8.63 kcal/mol) docking studies the breast cancer estrogen receptor mutant L536S (PDB ID: 6sbo). Antioxidant assays further Oact's enhanced radical scavenging potential.

Язык: Английский

Процитировано

0