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Crystalline Covalent Triazine Frameworks and 2D Triazine Polymers: Synthesis and Applications.
Acc Chem Res
January 2025
School of Engineering, Westlake University, Hangzhou 310024, Zhejiang Province, China.
ConspectusCovalent triazine frameworks (CTFs) are a novel class of nitrogen-rich conjugated porous organic materials constructed by robust and functional triazine linkages, which possess unique structures and excellent physicochemical properties. They have demonstrated broad application prospects in gas/molecular adsorption and separation, catalysis, energy conversion and storage, etc. In particular, crystalline CTFs with well-defined periodic molecular network structures and regular pore channels can maximize the utilization of the features of CTFs and promote a deep understanding of the structure-property relationship.
View Article and Find Full Text PDFAccess to Chiral Bridged Biaryls via Brønsted Acid-Catalyzed Asymmetric Addition of Alcohols to Fluoroalkylated Biaryl Oxazepines.
Org Lett
January 2025
Key Laboratory of Chemical Biology and Traditional Chinese Medicine (Ministry of Educational of China), Key Laboratory of the Assembly and Application of Organic Functional Molecules of Hunan Province, College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha 410081, China.
We disclose herein a chiral phosphoric-acid-catalyzed enantioselective addition reaction of alcohols to fluoroalkylated biaryl 1,3-oxoazepines, which furnished a wide range of bridged biaryls bearing a fluoroalkylated quaternary carbon stereocenter on the seven-membered ring in high yields (up to 99%) with excellent enantioselectivities (up to 98% ee). Our method can be used for the modification of several natural products and bioactive molecules. Preliminary studies revealed that the products obtained in this reaction exhibit good in vitro bioactivities against two plant pathogens.
View Article and Find Full Text PDFDeep learning-based design and experimental validation of a medicine-like human antibody library.
Brief Bioinform
November 2024
Biotherapeutics Molecule Discovery, Boehringer Ingelheim Pharmaceutical Inc., 900 Ridgebury Road, Ridgefield, CT 06877, United States.
Antibody generation requires the use of one or more time-consuming methods, namely animal immunization, and in vitro display technologies. However, the recent availability of large amounts of antibody sequence and structural data in the public domain along with the advent of generative deep learning algorithms raises the possibility of computationally generating novel antibody sequences with desirable developability attributes. Here, we describe a deep learning model for computationally generating libraries of highly human antibody variable regions whose intrinsic physicochemical properties resemble those of the variable regions of the marketed antibody-based biotherapeutics (medicine-likeness).
View Article and Find Full Text PDFHigh-Performance TiCT-MXene/Mycelium Hybrid Membrane for Efficient Lead Remediation: Design and Mechanistic Insights.
ACS Appl Mater Interfaces
January 2025
Department of Materials Design and Innovation, University at Buffalo, Buffalo, New York 14260-1660, United States.
This study presents a hybrid microfiltration technology designed for high-performance lead (Pb(II)) remediation, especially from aqueous solutions with high Pb(II) concentrations, by utilizing two-dimensional (2D) TiCT-MXene layers deposited on dry mycelium membranes. The hybrid TiCT-MXene/mycelium (MyMX) membranes were fabricated via a single-step electrochemical deposition (ECD) technique, which enabled a uniform coating of 2D TiCT-MXene onto individual hyphal fibers of a prefabricated mycelium membrane. Optimized ECD parameters for high Pb(II) uptake were identified using scanning electron microscopy and energy-dispersive X-ray spectroscopy.
View Article and Find Full Text PDFUnveiling the electrochemical nitrogen reduction reaction mechanism in heteroatom-decorated-MoCS-MXene: the synergistic effect of single-atom Fe and heteroatom.
Mater Horiz
January 2025
Institute of Biomass Engineering, Key Laboratory of Energy Plants Resource and Utilization, Ministry of Agriculture and Rural Affairs, South China Agricultural University, Guangzhou, 510642, China.
Conversion of nitrogen (N) to ammonia (NH) is a significant process that occurs in environment and in the field of chemistry, but the traditional NH synthesis method requires high energy and pollutes the environment. In this work, the charge, orbital and spin order of the single-atom Fe loaded on heteroatom (X) doped-MoCS (X = B, N, O, F, P and Se) and its synergistic effect on electrochemical nitrogen reduction reaction (eNRR) were investigated using well-defined density functional theory (DFT) calculations. Results revealed that the X-element modified the charge loss capability of Fe atoms and thereby introduced a net spin through heteroatom doping, resulting in the magnetic moment modulation of Fe.
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