Optical and Supramolecular Properties of Cyclometalated Palladium Nanostructures with Tumor Targeting Properties in Living Mice: A Quantum Mechanics Interpretation. DOI Creative Commons
Costantino Zazza, Nico Sanna, Stefano Borocci

et al.

ChemPhysChem, Journal Year: 2024, Volume and Issue: 25(23)

Published: July 30, 2024

Abstract The recent discovery that metallophilic interactions between cyclometalated palladium supramolecular nanostructures – with efficient tumour accumulation rate in a skin melanoma model maintain excellent photodynamic properties even hypoxic microenvironment has inspired the present study focused on theoretical predictions of optical bis‐cyclometalated compound different contexts. More specifically, structural and UV/Vis absorption both monomeric dimeric forms this anticancer drug are well reproduced Time‐Dependent Density Functional Theoretical (TD‐DFT) approach based Exchange–Correlation (XC) hybrid functionals conjunction conductor‐like polarization solvation effects. A further novelty is represented by fine investigation subunits via dispersion force correction Quantum Theory Atoms Molecules (QTAIM). This contribution while supporting photoexcitation derived laboratory following self‐assembly units when passing from dimethyl sulfoxide (DMSO) to H 2 O/DMSO mixture at 298 K, shed some light nature chemical modulating formation nano‐size aggregates.

Language: Английский

Multifaceted Applications of Luminescent Metalloporphyrin Derivatives: Fluorescence Turn-On Sensing of Nicotine and Antimicrobial Activity DOI
Sourav Mondal, Imran Ahmad, Nilanjan Dey

et al.

ACS Applied Bio Materials, Journal Year: 2024, Volume and Issue: 7(4), P. 2346 - 2353

Published: April 1, 2024

In this study, we designed and synthesized metalloporphyrin derivatives (with Ni Zn) specifically intended for the fluorescence detection of nicotine in aqueous solutions. Our results showcased a notable selectivity over other naturally occurring food toxins, exhibiting an exceptional sensitivity with limit as low 7.2 nM. Through mechanistic investigations (1H NMR, FT-IR, etc.), elucidated binding mechanism, revealing specific interaction between pyridine ring metal center, while N atom pyrrolidine unit engaged hydrogen bonding side chain porphyrin ring. Notably, observed that nature center dictated extent nicotine; particularly, Zn-porphyrin demonstrated superior response compared to Ni-porphyrin. Furthermore, performed quantitative estimation commercially available tobacco products. Additionally, conducted antibacterial (Staphylococcus aureus Escherichia coli) antifungal (Candida albicans) activities derivatives.

Language: Английский

Citations

10
Bridging the gap between theory and treatment: Transition metal complexes as successful candidates in medicine DOI

Sara Abdolmaleki,

Alireza Aliabadi, Samad Khaksar

et al.

Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 531, P. 216477 - 216477

Published: Feb. 8, 2025

Language: Английский

Citations

1
Use of Nicotinamide Mononucleotide as Non-Natural Cofactor DOI Open Access
Tahseena Naaz, Beom Soo Kim

Catalysts, Journal Year: 2025, Volume and Issue: 15(1), P. 37 - 37

Published: Jan. 3, 2025

Nicotinamide mononucleotide (NMN) has emerged as a promising non-natural cofactor with significant potential to transform biocatalysis, synthetic biology, and therapeutic applications. By modulating NAD⁺ metabolism, NMN offers unique advantages in enzymatic reactions, metabolic engineering, regenerative medicine. This review provides comprehensive analysis of NMN’s biochemical properties, mechanisms action, diverse Emphasis is placed on its role addressing challenges multi-enzyme cascades, biofuel production, the synthesis high-value chemicals. The paper also highlights critical research gaps, including need for scalable methods, improved integration into systems, toxicity studies use. Emerging technologies such AI-driven enzyme design CRISPR-based genome engineering are discussed transformative tools optimizing NMN-dependent pathways. Furthermore, synergistic biology innovations, cell-free systems dynamic regulatory networks, explored, paving way precise modular biotechnological solutions. Looking forward, versatility positions it pivotal tool advancing sustainable bioprocessing precision Addressing current limitations through interdisciplinary approaches will enable redefine boundaries innovation. serves roadmap leveraging across scientific industrial domains.

Language: Английский

Citations

0
Study of efficiency of organic activator application to process difficult-to-beneficiate polymetallic ridder ores DOI Creative Commons
Bagdaulet Kenzhaliyev, Aigul Koizhanova, Dametken Fischer

et al.

Transition Metal Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 4, 2025

Language: Английский

Citations

0
Synthesis, physicochemical properties and infrared bioimaging of donor-acceptor (D-A) benzothiadiazole and diketopyrrolopyrrole macromolecules: A combined experimental and theoretical study DOI
Jonatan Rodríguez-Rea, Marisol Güizado-Rodrı́guez,

Sergio Augusto Romero Servin

et al.

Journal of Photochemistry and Photobiology A Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 116345 - 116345

Published: Feb. 1, 2025

Language: Английский

Citations

0
Portable and ultrasensitive detection of traces of water in alcoholic solvents by a polypyrrole-modified screen-printed electrode DOI
Zhimin Fan,

Kun Zhang,

Xiaonan Feng

et al.

Journal of Electroanalytical Chemistry, Journal Year: 2024, Volume and Issue: 970, P. 118556 - 118556

Published: Aug. 3, 2024

Language: Английский

Citations

1
Optical and Supramolecular Properties of Cyclometalated Palladium Nanostructures with Tumor Targeting Properties in Living Mice: A Quantum Mechanics Interpretation. DOI Creative Commons
Costantino Zazza, Nico Sanna, Stefano Borocci

et al.

ChemPhysChem, Journal Year: 2024, Volume and Issue: 25(23)

Published: July 30, 2024

Abstract The recent discovery that metallophilic interactions between cyclometalated palladium supramolecular nanostructures – with efficient tumour accumulation rate in a skin melanoma model maintain excellent photodynamic properties even hypoxic microenvironment has inspired the present study focused on theoretical predictions of optical bis‐cyclometalated compound different contexts. More specifically, structural and UV/Vis absorption both monomeric dimeric forms this anticancer drug are well reproduced Time‐Dependent Density Functional Theoretical (TD‐DFT) approach based Exchange–Correlation (XC) hybrid functionals conjunction conductor‐like polarization solvation effects. A further novelty is represented by fine investigation subunits via dispersion force correction Quantum Theory Atoms Molecules (QTAIM). This contribution while supporting photoexcitation derived laboratory following self‐assembly units when passing from dimethyl sulfoxide (DMSO) to H 2 O/DMSO mixture at 298 K, shed some light nature chemical modulating formation nano‐size aggregates.

Language: Английский

Citations

0