As cyanide is a huge hazard to the environment and human health, the study of the method of detecting low concentrations of cyanide is of great significance. In general, materials with strong positive electrostatic properties can use electrostatic attraction to enrich anions in the water near the materials, then realize rapid detection of low concentration anions by fluorescent probes. In this paper, fluorescent probes PI-S, PI-I and PI-N with cyanide-specific recognition and different charges were synthesized to study the relationship between the charge effect of probes and the sensing sensitivity. Through the zeta potential test and the calculation of the surface electrostatic potential, the positive electricity of PI-S, PI-I and PI-N gradually increased, the ΔG < 0 of the adsorption process gradually decreased, CN could be aggregated to the vicinity of probes. As a result, the detection limit of the probe was gradually reduced from 1.07 × 10 to 5.03 × 10 M, the sensitivity was significantly enhanced. Therefore, this is expected to be a new strategy to improve the sensitivity of anion probes by increasing the positive electricity of molecules. In addition, PI-N has good anti-interference ability, short response time and certain application value in cell imaging and identification of endogenous cyanide in food.
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http://dx.doi.org/10.1016/j.saa.2023.123443 | DOI Listing |
J Mol Model
January 2025
Hubei Key Laboratory·for High-Efficiency-Utilization of Solar Energy and Operation, Control of Energy-Storage System, Hubei-University of Technology, Wuhan, 430068, China.
Context: Ionization and adsorption in gas discharge are similar to electrophilic and nucleophilic reactions. The molecular descriptors characterizing reactions such as electrostatic potential descriptors are useful in predicting the electrical strength of environmentally friendly gases. In this study, descriptors of 73 molecules are employed for correlation analysis with electrical strength.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Chinese Academy of Sciences Fujian Institute of Research on the Structure of Matter, Key Laboratory of Structural Chemistry, CHINA.
One-step adsorptive purification of ethylene (C2H4) from ternary mixture comprising of acetylene (C2H2), ethylene (C2H4) and carbon dioxide (CO2) is a great challenge in the chemical industry. Herein, a microporous metal-organic framework (FJI-H38) has been reported, which possesses a high density of electronegative O/N binding sites and appropriate pore size. Notably, at 0.
View Article and Find Full Text PDFLangmuir
January 2025
Department of Chemistry, University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112-0850, United States.
Modification of silica interfaces by covalent attachment of functional ligands is a primary means of controlling the interfacial chemistry of porous silicas used in separations, environmental cleanup, and biosensing. Recently, modification of hydrophobic, -alkyl-silane-functionalized interfaces has been achieved through self-assembly of zwitterionic phospholipids or mixed-charged surfactants to form "hybrid bilayers", producing interfaces that mimic lipid-bilayer partitioning and provide shape-selective partitioning of aromatic hydrocarbons. Charged headgroups, however, introduce electrostatic interactions that strongly influence the retention of ionizable solutes and require careful control over pH and ionic strength in the solution phase.
View Article and Find Full Text PDFSci Total Environ
January 2025
Institute of Organic Contaminant Control and Soil Remediation, College of Resources and Environmental Sciences, Nanjing Agricultural University, Nanjing 210095, China. Electronic address:
Hundreds of new flame retardants (NFRs) are widely used, causing environmental pollution and threating human health. In this study, based on the interaction of NFRs and human serum albumin (HSA), we assessed the differences in potential human accumulation of 8 NFRs including 1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane (TBECH), tetrabromobisphenol A bis(dibromopropyl ether) (TBBPA-DBPE), 2,4,6-tribromophenol (TBP), pentabromophenol (PBP), tri-n-butyl phosphate (TnBP), triphenyl phosphate (TPP), Tri(2-chloroethyl) phosphate (TCEP), and Tri(1,3-dichloro-2-propyl) phosphate (TDCP). All NFRs could bind to HSA and cause slight damage to its structure, suggesting their potential human accumulation ability.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2025
Department of Chemistry, Government College University Faisalabad, Faisalabad 38000 Pakistan; Dry Lab (Janjua.XYZ), Physical Chemistry and Computational Modelling (PCCM), Department of Chemistry, Government College University Faisalabad, Faisalabad 38000 Pakistan. Electronic address:
Organic photovoltaics (OPVs) have improved greatly in recent years in pursuit for efficient and sustainable energy conversion methods. Specifically, utilizing quantum chemistry approaches such as density functional theory (DFT), the electronic structures, energy levels, and charge transport characteristics of donor-π-acceptor (D-π-A) systems based on non-fullerene donor and acceptor molecules have been examined and synthesized. Non-fullerene acceptors offer several advantages over traditional fullerene-based materials, such as enhanced light absorption, modifiable energy levels, and reduced recombination losses.
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