Category Ranking
98%
Total Visits
921
Avg Visit Duration
2 minutes
Citations
20
Article Abstract
The formation of interfacial charge transfer (ICT) complexes with suitable ligands is an effective method to improve the spectral properties of materials based on titanium dioxide (TiO). In the presented work, six structurally different flavonoids are studied as potential ligands for synthesizing novel TiO-based ICT complexes using density functional theory (DFT). The formation of stable bidentate Ti-O coordination between the TiO surface and studied flavonoids is confirmed by Bader's quantum theory of atoms in molecules (QTAIM) analysis. The calculated band gaps of the studied ICT complexes are within the range of 1.95-2.15 eV, which is significantly lower than the one of pristine TiO (3.20 eV) and it corresponds to the absorption in the visible spectral region. The lowest band gaps were found for the ICT complexes with flavonoids containing the OH group at position 3 of the C ring (myricetin, quercetin). The thermochemistry calculations revealed that the formed ICT complexes possess increased radical scavenging potential when compared to their parent flavonoids, which are well-known as naturally occurring antioxidants.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/cphc.202500058 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A novel ICT ratiometric fluorescent probe for intelligent visualization, and quantitative detection of residual daminozide in food.
Anal Chim Acta
November 2025
School of Food and Biological Engineering, Shaanxi University of Science and Technology, Xi'an, 710021, PR China. Electronic address:
Background: Daminozide is a commonly utilized plant growth regulator. Both daminozide and its hydrolysis product, 1,1-dimethyl hydrazine ((CH)NNH), exhibit carcinogenic and teratogenic toxicity. Accurate detection of daminozide in food is of great significance to human health.
View Article and Find Full Text PDFA covalent organic polymer fluorescent probe for highly selective and sensitive UO detection in water and food samples.
Biosens Bioelectron
September 2025
Cancer Research Institute, The First Affiliated Hospital, University of South China, Hengyang, 421001, PR China; State Key Laboratory of Chemo/Biosensing and Chemometrics, School of Chemistry and Chemical Engineering, Hunan University, Changsha, 410082, PR China. Electronic address:
A highly sensitive, selective, and simple method for detecting uranyl ions (UO) is crucial for human health and environmental safety. Amidoxime-based nanomaterials have been widely employed for UO detection, but their higher affinity for vanadium than UO limits their practical applications. Herein, a novel covalent organic polymer fluorescent probe (TT-COP) for UO detection was innovatively developed by a one-step Schiff-base condensation reaction between 3,3',5,5'-tetramethylbenzidine (TMB) and 2,4,6-triformylphloroglucinol (Tp).
View Article and Find Full Text PDFBenefit of coronary stenting using available intracoronary tools in high-risk patients. The OPTI-XIENCE study.
Int J Cardiol
September 2025
Regional University Hospital Jean Minjoz, Besancon, France.
Background: The clinical benefit of using ICT for coronary stent optimization remains uncertain in randomized trials, in which a unique ICT was used in most cases.
Aim: To assess the clinical impact of intracoronary techniques (ICT) for stent optimization in high-risk patients.
Methods: The OPTI-XIENCE study is a prospective, observational, multicenter international study including high-risk patients undergoing coronary stenting, in whom any ICT was used for stent optimization at the operator's discretion.
Adapting the Grog survey app for alcohol screening and feedback in aboriginal and Torres Strait Islander health services: a mixed methods study protocol.
Addict Sci Clin Pract
September 2025
School of Psychology and Public Health, La Trobe University, Centre for Alcohol Policy Research, NR1, Bundoora, Melbourne, 3086, Australia.
Background: Routine use of brief, structured screening tools is essential to detect and provide support for Australians who drink above recommended levels. However, detecting drinking above recommended levels in Aboriginal and Torres Strait Islander Australian primary care settings is complex. Inaccuracies in completing a screening tool such as Alcohol Use Disorders Identification Test - Consumption, can lead to errors in estimating drinking in First Nations contexts where group sharing and episodic drinking make it difficult to accurately estimate alcohol consumption with tools that assume regular drinking patterns.
View Article and Find Full Text PDFSustainable phytoprotection: a smart monitoring and recommendation framework using Puma Optimization for potato pathogen detection.
Front Plant Sci
August 2025
Department of Computer Sciences, College of Computer and Information Sciences, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.
Ensuring sustainable and resilient agricultural systems in the face of intensifying crop disease threats requires intelligent, data-driven tools for early detection and intervention. This study proposes a novel hybrid framework for potato disease classification that integrates copula-based dependency modeling with a Restricted Boltzmann Machine (RBM), further enhanced through hyperparameter tuning using the biologically inspired Puma Optimization (PO) algorithm. The system is trained and evaluated on a real-world dataset derived from structured field experiments, comprising 52 instances and 42 agronomic, microbial, and ecological variables.
View Article and Find Full Text PDF