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Spiral and helical formation of passive and active polymers with stiffness heterogeneity in a spherical cavity.
Soft Matter
January 2025
College of Chemistry, Sichuan University, Chengdu 610064, China.
Biomolecules usually adopt ubiquitous circular structures which are important for their functionality. Based on three-dimensional Langevin dynamics simulations, we investigate the conformational change of a polymer confined in a spherical cavity. Both passive and active polymers with either homogeneous or heterogeneous stiffness are analyzed in a comparative manner.
View Article and Find Full Text PDFLight-Induced Transformation from Covalent to Supramolecular Polymer Networks.
ACS Macro Lett
January 2025
School of Chemistry and Chemical Engineering, Frontiers Science Center for Transformative Molecules, Shanghai Jiao Tong University, Shanghai 200240, P. R. China.
Stimuli-responsive polymers have demonstrated significant potential in the development of smart materials due to their capacity to undergo targeted property changes in response to external physical or chemical stimuli. However, the scales of response in most existing stimuli-responsive polymer systems are mainly focused on three levels: functional units, chain conformations, or polymer topologies. Herein, we have developed a covalent polymer network (CPN) capable of converting into a supramolecular polymer network (SPN) within bulk materials directly at the scale of polymer network types.
View Article and Find Full Text PDFShape Memory Performance and Microstructural Evolution in PLA/PEG Blends: Role of Plasticizer Content and Molecular Weight.
Polymers (Basel)
January 2025
School of Polymer Engineering, Institute of Engineering, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand.
Poly(lactic acid) (PLA) exhibits excellent shape memory properties but suffers from brittleness and a high glass transition temperature (T), limiting its utility in flexible and durable applications. This study explored the modification of PLA properties through the incorporation of poly(ethylene glycol) (PEG), varying in both content (5-20 wt%) and molecular weight (4000-12,000 g/mol), to enhance its suitability for specific applications, such as medical splints. The PLA/PEG blend, containing 15 wt% PEG and with a molecular weight of 12,000 g/mol, exhibited superior shape fixity (99.
View Article and Find Full Text PDFConjugation of Short-Chain Fatty Acids to Bicyclic-Amines for Analysis by Liquid Chromatography Tandem Mass Spectroscopy.
Molecules
January 2025
Blood and Shock Research, US Army Institute of Surgical Research, JBSA Fort Sam Houston, San Antonio, TX 78234, USA.
Conjugation of short-chain fatty acids (SDFAs) to amines containing ring structures allows for better measurement by liquid chromatography tandem mass spectroscopy (LC-MS/MS). However, collision-induced dissociation (CID) results in breaking the conjugate back to the original SCFA and amine. We therefore set out to find an amine that would remain on the SCFA after CID and create a unique daughter for selectivity of measurement.
View Article and Find Full Text PDFKinetic Isotope Effect in the Unfolding of a Protein Secondary Structure: Calculations for Beta-Sheet Polyglycine Dimers as a Model.
Biomolecules
January 2025
Institute of Chemical Kinetics and Combustion SB RAS, 3 Institutskaya Street, Novosibirsk 630090, Russia.
In the present work, we performed calculations of the kinetic isotope effect (KIE) on H/D, N/N, O/O, and C/C isotopic substitution in the dissociation of beta-sheet polyglycine dimers of different lengths into two monomer chains. This dissociation reaction, proceeding via breaking of the interchain hydrogen bonds (H-bonds), is considered to be a model of unfolding of the secondary structure of proteins. The calculated strengthening of the interchain hydrogen bonds N-H⋯O=C due to heavy isotope substitution decreases in the row H/D >> N/N > O/O > C/C.
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