Transition Metal Complexes of Turmeric Schiff Base: A New Avenue for the Development of Antioxidant, Anti‐Inflammatory, and Preliminary Anticancer Therapies via In Silico, In Vitro, and In Vivo Assessments DOI Open Access
Samuel Michael, Porkodi Jeyaraman, Bhuvaneswari Marimuthu

et al.

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 24, 2024

ABSTRACT In the current study, Knoevenagel condensates mediated by ultrasound were created using cinnamaldehyde and physiologically active curcumin. These have been reacted with 4‐aminoantipyrene to create curcumin Schiff bases. The octahedral geometry of synthesized transition metal complexes is verified a range analytical methods spectroscopic techniques. It interesting note that viscosity tests against calf thymus‐DNA UV–visible absorption titration are used confirm synthetic drugs intercalative binding effectiveness. VLS3D online program was utilized examine properties SWISS ADME. experimental validation antioxidant anti‐inflammatory activity demonstrates theoretical expectations align findings. minimum inhibitory concentration values show they more effective microbes than ligand. Density functional theory simulations performed at B3LYP/6–31G(d) level complexes' thermodynamic stability physiological accessibility. Every molecule has docked bovine serum albumin 3v03 enzyme.

Language: Английский

Tailored Silica‐Based Sensors (SBA‐Pr‐Ald‐MA) for Efficient Detection of Iron (III) Ions: A Comprehensive Theoretical and Experimental Viewpoint DOI
Ghodsi Mohammadi Ziarani, Dorsa Ebrahimi, Mehran Feizi‐Dehnayebi

et al.

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 39(1)

Published: Dec. 10, 2024

ABSTRACT The synthesis and characterization of SBA‐Pr‐Ald‐MA as a modified mesoporous silica material made from SBA‐15 are presented in this work. Meldrum's acid (MA), 2‐chloroquinoline‐3‐carbaldehyde, 3‐(chloropropyl)‐trimethoxysilane were used to functionalize the SBA‐15. detection limit 7.80 × 10 −8 M for demonstrated its exceptional selectivity toward Fe 3+ ions. Density functional theory (DFT) calculations conducted using B3LYP/6‐311g(d,p)/LANL2DZ investigate molecular electrostatic potential (MEP), geometry optimization, orbital analysis, quantum chemical descriptors, photoinduced electron transfer (PET). Geometry optimization MEP diagram verified mechanism interaction obtained experimental results. PET analysis indicated that electrons transition LUMO Pr‐Ald‐MA + complex, leading maximum fluorescence quenching efficiency. Future research could explore sensor's application real‐world environmental monitoring systems extend detect other hazardous metal

Language: Английский

Citations

10
AIE diphenylquinoxaline-decorated Ni(II) coordination polymer as efficient multifunctional sensor for Cr2O72−, 2,4,6-trinitrophenol and nitrofuran antibiotics DOI

Chuanzong Dong,

Xuancheng Sun,

Bingxi Wang

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141760 - 141760

Published: Feb. 1, 2025

Language: Английский

Citations

0
8-Aminoquinoline-Based Promising Zn Complexes with Dicyanamide and Tricyanomethane Anions: Supramolecular R44(8)/R22(16) Synthons, DFT Rationalization, and Biological Insights DOI Creative Commons
Suman Hazra, Dhrubajyoti Majumdar,

Jessica Elizabeth Philip

et al.

ACS Omega, Journal Year: 2025, Volume and Issue: unknown

Published: April 7, 2025

Considering the new crystal engineering integrity utilizing DFT and issues surrounding antimicrobial resistance in complexes, there is a pressing need to tackle antifungal photodynamic therapy about global health challenges. Within sphere of this study, we meticulously introduce synthesis, characterization, single-crystal structure two 8-aminoquinoline-based Zn complexes [Zn{(8-AMQ) (X)}2], X = dca (1) TCM (2). The X-ray study reveals that crystallize monoclinic triclinic space groups P21/c P-1. packing both feature N-H···N hydrogen bonds as well weak C-H···N interactions. Hirshfeld surface provides quantitative insight into various supramolecular interactions, including π···π stacking, at large Cg···Cg distances. FMO supports complexes' conductive behavior, excellent stability, reactivity parameters. DOS investigation suggests good conductivity properties. NBO analyzed 2 exhibits greater reactive high potential charge transfer mechanism. QTAIM/NCI-RDG plot ensured N···Zn/H···N interactions explored R 4 (8)/R 2(16) synthons. Trypan blue exclusion method was used evaluate cytotoxicity against DLA cell line, demonstrating 1's effectiveness cell, lowest % death, promising anticancer agent. complex finding showed significant activity C. albicans.

Language: Английский

Citations

0
Recent Advances in Crystalline Porous Materials for Antibacterial Applications DOI

Peijie Wu,

Liangming Wei,

Rui Yao

et al.

Chemistry - An Asian Journal, Journal Year: 2025, Volume and Issue: unknown

Published: April 8, 2025

Abstract Bacterial infections remain a significant and escalating threat to global health, exacerbated by multidrug‐resistant strains that undermine the efficacy of conventional antibiotics. This pressing issue underscores urgent need for development new antimicrobial materials. Among these, molecular‐based crystalline porous materials, such as metal–organic frameworks (MOFs), covalent organic (COFs), hydrogen‐bonded (HOFs), supramolecular assembly (SAFs), have emerged promising class antibacterial agents. These materials exhibit well‐defined crystallinity tunable structures, offering exceptional versatility applications. Notably, their high surface area, adjustable pore size, potential functionalization enable efficient loading controlled release agents, including metal ions molecules. review provides comprehensive analysis recent advancements in this field, highlighting design strategies, structural diversity, mechanisms, Finally, we discuss current challenges outline future opportunities practical deployment

Language: Английский

Citations

0
Experimental and Theoretical Studies of Novel Cadmium(II) N2O-Schiff Base Complexes: Synthesis, Spectroscopic Characterization, X-ray Crystal Structure, and Fluorescent Properties DOI
Yang Song, Yangyang Zhao,

Zhengnan Zhou

et al.

Journal of Fluorescence, Journal Year: 2025, Volume and Issue: unknown

Published: April 23, 2025

Language: Английский

Citations

0
Two novel viologen-based photochromic complexes with photo-regulated fluorescence, ammonia and Cr2O72− detection performance DOI

Mengnan Zhao,

Yuling Mao,

Jingying Chu

et al.

Inorganica Chimica Acta, Journal Year: 2025, Volume and Issue: unknown, P. 122747 - 122747

Published: May 1, 2025

Language: Английский

Citations

0
A Cubic Heptanuclear Cobalt(II) Bis(Salamo)‐Type Cluster: Structural, Spectroscopic, and Computational Studies DOI Open Access

Li Na,

Lele Liu, Suming Chen

et al.

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(3)

Published: Feb. 5, 2025

ABSTRACT A cube‐like heptanuclear cobalt(II) cluster single crystals, namely, [Co 7 (L) 2 ( μ 3 ‐OCH ) ‐OH) 4 ](ClO , was successfully grown up by reacting of a bis(salamo)‐type ligand H L containing two N O coordination cavities with Co(NO ·6H using natural volatilization method. Single‐crystal analysis displayed that the is cluster. In this paper, UV–Vis absorption and fluorescence spectra its have been investigated. Through Hirshfeld surface analyses, intermolecular interactions on molecular surfaces are visually presented, contributions each interaction to quantified two‐dimensional fingerprints. DFT calculation MEP analyses used investigate electronic structures sites

Language: Английский

Citations

0
Structural speciation in binary-ternary Pb(II)-(di)carboxylato-(aromatic chelator) aqueous systems. Architecture correlations with luminescence properties DOI

M. Perikli,

Sevasti Matsia, Catherine Gabriel

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141749 - 141749

Published: March 1, 2025

Language: Английский

Citations

0
In Vitro Anticancer and Antibacterial Activity of a New Hg(II) Pyridinedicarboxylate Coordination Supramolecular Compound DOI

Elham Akhtari,

Khosro Mohammadi, Payam Hayati

et al.

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(6)

Published: May 8, 2025

ABSTRACT Nanoparticles and single crystals of mercury(II) coordination supramolecular compounds, [HL′][Hg(L)(Cl)(H 2 O)], (where H L = pyridine‐2,6‐dicarboxylic acid L′ 2,4‐diamino‐6‐chloropyrimidine), have been synthesized using both the branch tube (1) ultrasonic irradiation (UI) (1′) methods. The compounds were characterized SEM, XRPD, FTIR spectroscopy, elemental analysis through EDS method. Single crystal X‐ray diffraction (SCXRD) data for compound indicates that Hg 2+ ion has a number five. thermal stability macro nano‐structures was investigated gravimetric (TG). antimicrobial properties evaluated against gram‐negative gram‐positive bacteria disk diffusion Staphylococcus aureus (IZD 13 mm) identified as more susceptible bacterium after treatment compared to Pseudomonas aeruginosa 10 at concentration 31.25 μg/μL. In vitro cytotoxicity screened two cancer cell lines: human breast (MCF7) prostatic adenocarcinoma (PC3). results showed antiproliferative activity, with IC50 values 15.83 μM PC3 22.50 MCF7. Finally, antioxidant activity testing revealed Hg(II) possesses relatively poor radical scavenging properties.

Language: Английский

Citations

0
Transition Metal Complexes of Turmeric Schiff Base: A New Avenue for the Development of Antioxidant, Anti‐Inflammatory, and Preliminary Anticancer Therapies via In Silico, In Vitro, and In Vivo Assessments DOI Open Access
Samuel Michael, Porkodi Jeyaraman, Bhuvaneswari Marimuthu

et al.

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 24, 2024

ABSTRACT In the current study, Knoevenagel condensates mediated by ultrasound were created using cinnamaldehyde and physiologically active curcumin. These have been reacted with 4‐aminoantipyrene to create curcumin Schiff bases. The octahedral geometry of synthesized transition metal complexes is verified a range analytical methods spectroscopic techniques. It interesting note that viscosity tests against calf thymus‐DNA UV–visible absorption titration are used confirm synthetic drugs intercalative binding effectiveness. VLS3D online program was utilized examine properties SWISS ADME. experimental validation antioxidant anti‐inflammatory activity demonstrates theoretical expectations align findings. minimum inhibitory concentration values show they more effective microbes than ligand. Density functional theory simulations performed at B3LYP/6–31G(d) level complexes' thermodynamic stability physiological accessibility. Every molecule has docked bovine serum albumin 3v03 enzyme.

Language: Английский

Citations

1