Polymer mechanochemistry offers attractive opportunities for using macroscopic forces to drive molecular-scale chemical transformations, but achieving efficient activation in bulk polymeric materials has remained challenging. Understanding how the structure and topology of polymer networks impact molecular-scale force distributions is critical for addressing this problem. Here we show that in block copolymer elastomers the molecular-scale force distributions and mechanochemical activation yields are strongly impacted by the molecular weight distribution of the polymers. We prepare bidisperse triblock copolymer elastomers with spiropyran mechanophores placed in either the short chains, the long chains, or both and show that the overall mechanochemical activation of the materials is dominated by the short chains. Molecular dynamics simulations reveal that this preferential activation occurs because pinning of the ends of the elastically effective midblocks to the glassy/rubbery interface forces early extension of the short chains. These results suggest that microphase segregation and network strand dispersity play a critical role in determining molecular-scale force distributions and suggest that selective placement of mechanophores in microphase-segregated polymers is a promising design strategy for efficient mechanochemical activation in bulk materials.
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http://dx.doi.org/10.1021/acsmacrolett.3c00366 | DOI Listing |
Heliyon
January 2025
School of Molecular Sciences, Arizona State University, Tempe, AZ, 85287, USA.
Cellular forces regulate an untold spectrum of living processes, such as cell migration, gene expression, and ion conduction. However, a quantitative description of mechanical control remains elusive due to the lack of general, live-cell tools to measure discrete forces between biomolecules. Here we introduce a computational pipeline for force measurement that leverages well-defined, tunable release of a mechanically activated small molecule fluorophore.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, BioInspired Institute, Syracuse University, Syracuse, New York 13244, United States.
Understanding structure-mechanical activity relationships (SMARs) in polymer mechanochemistry is essential for the rational design of mechanophores with desired properties, yet SMARs in noncovalent mechanical transformations remain relatively underexplored. In this study, we designed a subset of diarylethene mechanophores based on a lever-arm hypothesis and systematically investigated their mechanical activity toward a noncovalent-yet-chemical conversion of atropisomer stereochemistry. Results from Density functional theory (DFT) calculations, single-molecule force spectroscopy (SMFS) measurements, and ultrasonication experiments collectively support the lever-arm hypothesis and confirm the exceptional sensitivity of chemo-mechanical coupling in these atropisomers.
View Article and Find Full Text PDFChem Sci
January 2025
Materials Science and Engineering Program, The Graduate School, Florida State University 2005 Levy Ave. Tallahassee FL 32310 USA
Solid electrolytes (SEs) are crucial for advancing next-generation rechargeable battery technologies, but their commercial viability is partially limited by expensive precursors, unscalable synthesis, or low ionic conductivity. Lithium tetrahaloaluminates offer an economical option but exhibit low Li conductivities with high activation energy barriers. This study reports the synthesis of lithium aluminum chalcohalide (LiAlClS) using inexpensive precursors one-step mechanochemical milling.
View Article and Find Full Text PDFCarbohydr Polym
March 2025
Department of Pharmacology, Faculty of Veterinary Medicine, Cairo University, Giza 12211, Egypt; Department of Medical Pharmacology, Faculty of Medicine, Atatürk University, Erzurum 25240, Turkey. Electronic address:
Curcumin has a wide range of application prospects, with various bioactivities in the food industry and in the biomedical field. However, curcumin has poor water solubility and is sensitive to pH, light and temperature. In this study, curcumin-chitooligosaccharide (CUR-COS) complexes were prepared via mechanochemical methods, and the CUR-COS complex was more soluble after freeze-drying (up to 862-fold greater than that of curcumin).
View Article and Find Full Text PDFPharmaceutics
December 2024
Department of Pharmacy, Faculty of Health and Medical Science, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark.
: This study aims to broaden the knowledge on co-amorphous phospholipid systems (CAPSs) by exploring the formation of CAPSs with a broader range of poorly water-soluble drugs, celecoxib (CCX), furosemide (FUR), nilotinib (NIL), and ritonavir (RIT), combined with amphiphilic phospholipids (PLs), including soybean phosphatidylcholine (SPC), hydrogenated phosphatidylcholine (HPC), and mono-acyl phosphatidylcholine (MAPC). : The CAPSs were initially prepared at equimolar drug-to-phospholipid (PL) ratios by mechano-chemical activation-based, melt-based, and solvent-based preparation methods, i.e.
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