[structure: see text] A novel oxazolone ring-opening and interconversion process between the two jadomycin diastereomeric forms has been characterized by NMR spectroscopy. An analogue, dalomycin T, has been isolated for the first time and does not undergo interconversion.
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http://dx.doi.org/10.1021/ol052814w | DOI Listing |
Polymers (Basel)
November 2024
Key Laboratory of Advanced Textile Materials and Manufacturing Technology and Engineering Research Center for Eco-Dyeing & Finishing of Textiles, Ministry of Education, Zhejiang Sci-Tech University, Hangzhou 310018, China.
Considering the demand for the construction of a sustainable future, it is essential to endow the conventional thermoset silicone adhesive with reuse capability and recyclability. Although various research attempts have been made by incorporating reversible linkages, developing sustainable silicone adhesives by natural linkers is still challenging, as the interface between the natural linker and the silicone is historically difficult. We exploited the possibility of utilizing -lipoic acid, a natural linker, to construct a sustainable silicone adhesive.
View Article and Find Full Text PDFAcc Chem Res
December 2024
Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80303, United States.
ConspectusSynthetic extracellular matrix (ECM) engineering is a highly interdisciplinary field integrating materials and polymer science and engineering, chemistry, cell biology, and medicine to develop innovative strategies to investigate and control cell-matrix interactions. Cellular microenvironments are complex and highly dynamic, changing in response to injury and disease. To capture some of these critical dynamics , biomaterial matrices have been developed with tailorable properties that can be modulated in the presence of cells.
View Article and Find Full Text PDFInt J Biol Macromol
December 2024
The Key Laboratory of Synthetic and Biological Colloids, Ministry of Education, School of Chemical and Material Engineering, Jiangnan University, 1800 Lihu Road, Wuxi 214122, PR China. Electronic address:
Intrinsic environmental instability of hydrogels has limited their practical applications as durable flexible sensors in human life. In this study, a bio-based eutectogel (BEG) with environmental tolerance was designed via deep eutectic solvent (DES), thioctic acid (TA) and lignin. Benefit from self-ring-opening polymerization of TA monomer in the ethanol and the lignin acting as free radicals, the BEG was fabricated through efficient cast-drying method.
View Article and Find Full Text PDFBiomacromolecules
December 2024
School of Engineering Sciences in Chemistry, Biotechnology and Health, Fibre and Polymer Technology, KTH Royal Institute of Technology, Stockholm SE-100 44, Sweden.
Thermoplastic properties in cellulosic materials can be achieved by opening the glucose rings in cellulose and introducing new functional groups. Using molecular dynamics, we simulated amorphous cellulose and eight modified versions under dry and moist conditions. Modifications included ring openings and functionalization with hydroxy, aldehyde, hydroxylamine, and carboxyl groups.
View Article and Find Full Text PDFJ Chem Theory Comput
December 2024
Laboratory for Computational Molecular Design (LCMD), Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland.
Simulations of chemical reactivity in condensed phase systems represent an ongoing challenge in computational chemistry, where traditional quantum chemical approaches typically struggle with both the size of the system and the potential complexity of the reaction. Here, we introduce a workflow aimed at efficiently training neural network potentials (NNPs) to explore energy barriers in solution at the hybrid density functional theory level. The computational burden associated with training at the PBE0-D3(BJ) level is bypassed through the use of active and transfer learning techniques, whereas extensive sampling of the transition state region is accelerated by well-tempered metadynamics simulations using multiple time step integration.
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