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Biogenic, sustainable two-dimensional architectures, such as films and nanopapers, have garnered considerable interest because of their low carbon footprint, biodegradability, advanced optical/mechanical characteristics, and diverse potential applications. Here, bio-based nanopapers with tailored characteristics were engineered by the electrostatic complexation of oppositely charged colloidal phosphorylated cellulose nanofibers (P-CNFs) and deacetylated chitin nanocrystals (ChNCs). The electrostatic interaction between anionic P-CNFs and cationic ChNCs enhanced the stretchability and water stability of the nanopapers. Correspondingly, they exhibited a wet tensile strength of 17.7 MPa after 24 h of water immersion. Furthermore, the nanopapers exhibited good thermal stability and excellent self-extinguishing behavior, triggered by both phosphorous and nitrogen. These features make the nanopapers sustainable and promising structures for application in advanced fields, such as optoelectronics.
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http://dx.doi.org/10.1016/j.jcis.2024.07.111 | DOI Listing |
J Chem Theory Comput
September 2025
Materials DX Research Center, National Institute of Advanced Industrial Science and Technology, Tsukuba Central 2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan.
The quantum mechanics/molecular mechanics (QM/MM) method is a powerful approach for investigating solid surfaces in contact with various types of media, since it allows for flexible modeling of complex interfaces while maintaining an all-atom representation. The mean-field QM/MM method is an average reaction field model within the QM/MM framework. The method addresses the challenges associated with the statistical sampling of interfacial atomic configurations of a medium and enables efficient calculation of free energies.
View Article and Find Full Text PDFJ Am Chem Soc
September 2025
College of Chemistry and Molecular Sciences, Department of Gastrointestinal Surgery, Zhongnan Hospital of Wuhan University, Wuhan University, Wuhan 430072, P. R. China.
The in-depth integration of gene regulation with protein modulation can enhance cellular information processing, yet it is significantly constrained by ineffective and complex protein-to-gene transduction strategies. Herein, we developed a simple protease-guided autocatalytic gene silencing platform named iPAD (intelligent peptide-programmed deoxyribonuclease) that converts the protease recognition events into versatile DNA readout signals by rationally designing a native protease-responsive cationic peptide (PP) to efficiently modulate the DNAzyme (Dz) activity. Without requiring additional chemical modifications, the multifunctional PP regulator consists simply of one cell-specific targeting peptide segment and two cationic peptide segments isolated by one protease-specific peptide substrate.
View Article and Find Full Text PDFBiochem J
September 2025
Department of Biological Sciences, Indian Institute of Science Education and Research Kolkata, Mohanpur Campus, Mohanpur, 741246 Nadia, West Bengal, India.
Transcription initiation factor TFIID subunit 1 (TAF1) is a pivotal component of the TFIID complex, critical for RNA polymerase II-mediated transcription initiation. However, the molecular basis by which TAF1 recognizes and associates with chromatin remains incompletely understood. Here, we report that the tandem bromodomain module of TAF1 engages nucleosomal DNA through a distinct positively charged surface patch on the first bromodomain (BD1).
View Article and Find Full Text PDFMol Divers
September 2025
Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, 11942, Al Kharj, Saudi Arabia.
Cyclin-dependent kinase 20 (CDK20), also known as cell cycle-related kinase (CCRK), plays a pivotal role in hepatocellular carcinoma (HCC) progression by regulating β-catenin signaling and promoting uncontrolled proliferation. Despite its emerging significance, selective small-molecule inhibitors of CDK20 remain unexplored. In this study, a known CDK20 inhibitor, ISM042-2-048, was employed as a reference to retrieve structurally similar compounds from the PubChem database using an 85% similarity threshold.
View Article and Find Full Text PDFJ Am Chem Soc
September 2025
Institute of Organometallic Chemistry, Russian Academy of Sciences, Tropinina 49, GSP-445, Nizhny Novgorod 603950, Russia.
In this work, an approach enabling the synthesis of η-alkene lithium complexes (Carb)Li(η-L) (L = 1-octene, cyclohexene) is elaborated. For 1,5-hexadiene, the same approach results in a binuclear μ-η:η-diene complex. The QTAIM parameters reveal the electrostatic nature of the Li-alkene interaction.
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