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Computational Chemistry Study of pH-Responsive Fluorescent Probes and Development of Supporting Software.
Molecules
January 2025
School of Materials and Environment, Beijing Institute of Technology, Zhuhai 519088, China.
This study employs quantum chemical computational methods to predict the spectroscopic properties of fluorescent probes 2,6-bis(2-benzimidazolyl)pyridine (BBP) and ()-3-(2-(1-benzo[]imidazol-2-yl)vinyl)-9-(2-(2-methoxyethoxy)ethyl)-9-carbazole (BIMC). Using time-dependent density functional theory (TDDFT), we successfully predicted the fluorescence emission wavelengths of BBP under various protonation states, achieving an average deviation of 6.0% from experimental excitation energies.
View Article and Find Full Text PDFA novel photoelectrochemical biosensor for sensitive detection of nucleic acids based on recombinase polymerase amplification and 3D-array titania nanorods.
Int J Biol Macromol
January 2025
NHC Key Laboratory of Tropical Disease Control, School of Tropical Medicine & The Second Affiliated Hospital, Hainan Medical University, Haikou 571199, PR China. Electronic address:
Nucleic acids detection is essential for diagnosing pathogens; however, traditional methods usually face challenges such as low sensitivity, lengthy reaction times, and strict temperature requirements. This study develops a novel photoelectrochemical (PEC) biosensor that integrates recombinase polymerase amplification (RPA) with a 3D-array titania (TiO) nanorods nanorod electrode, addressing the challenge of achieving sensitive detection of RPA-amplified nucleic acids products, thereby enabling earlier and more reliable pathogen detection. The biosensor utilizes a triple-binding mode involving FITC antibodies, target nucleic acids, and an HRP-streptavidin sandwich structure, significantly improving the bio-functionalization of the electrode surface.
View Article and Find Full Text PDFDeveloping a Fluorinated Benzothiadiazole-Based Polymer Donor as Guest to Construct High-Performance Ternary Solar Cells.
ChemSusChem
December 2024
School of Chemistry and Chemical Engineering, Jiangxi University of Science and Technology, Ganzhou, 341000, P. R. China.
Benzothiadiazole (BT) has shown promising applications in fullerene solar cells. However, few BT-based polymer donors exhibited a noticeable power conversion efficiency (PCE) for the fused-ring small molecular acceptor-based polymer solar cells (PSCs). Herein, we developed a D-A (D: donor, A: acceptor) polymer donor F-1 based on fluorinated BT (ffBT) as A unit and chlorinated benzo [1,2-b : 4,5-b'] dithiophene (BDT-2Cl) as D unit.
View Article and Find Full Text PDFNew Polymeric Acceptors Based on Benzo[1,2-b:4,5-b'] Difuran Moiety for Efficient All-Polymer Solar Cells.
Macromol Rapid Commun
December 2024
Key Laboratory of Photoelectric Conversion and Utilization of Solar Energy, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao, 266101, China.
In order to realize high-performance bulk-heterojunction (BHJ) all-polymer solar cells, achieving appropriate aggregation and moderate miscibility of the polymer blends is one critical factor. Herein, this study designs and synthesizes two new polymer acceptors (Ps), namely PYF and PYF-Cl, containing benzo[1,2-b:4,5-b'] difuran (BDF) moiety with/without chlorine atoms on the thiophene side groups. Thanks to the preferred planar structure and high electronegativity of the BDF units, the resultant Ps generate strong intermolecular interactions and π-π stacking in both the neat and blend films.
View Article and Find Full Text PDFStaudinger Cleavages of Amides on Naphthalene for the Ipsilateral Effect of 1,8-Substituents.
Org Lett
December 2024
Key Laboratory of Bioorganic Phosphorus Chemistry and Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084, China.
8-(Azidomethyl)-1-naphthoic acid was elaborately prepared, and its coupling with amines provided the corresponding 8-(azidomethyl)-1-naphthamides. The Staudinger reactions of 8-(azidomethyl)-1-naphthamides with phosphine produced iminophosphoranes, and easy intramolecular cyclization of the iminophosphoranes afforded 2,3-dihydro-1-benzo[]isoquinolin-1-one leaving amines with almost quantitative conversion rates for the ipsilateral effect of 1,8-substituents on naphthalene. The protocol exhibits some advantages, including a readily available protecting group, cleavages of amides in almost quantitative conversion rates, an aqueous medium, reactions at room temperature, a broad substrate scope, wide functional group tolerance, and suitable scale-up reactions.
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