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Molecular structure and electrode architecture play very important roles in electrochemical performance of polymer electrode materials for lithium-ion batteries. Here, a series of anthraquinone-containing polymers with linear (with different molecular weights (MWs)) or cross-linked polymer structures were synthesized by (living) ring-opening metatheses (co)polymerization method. The influences of the molecular structures and electrode preparation process on the architectures and electrochemical performance of polymer electrodes were systematically investigated. It was found that the low MW linear polymers suffer from severe dissolution and thus result in low initial capacity and poor cycling stability. Under optimized electrode preparation process, high MW linear polymers can be uniformly composited with conductive additives and binders and deliver stable cycling performance. Cross-linked polymer shows significantly reduced solubility but a severe aggregation problem, leading to very poor electrochemical performance. Our findings shed light on the molecular structure design and electrode preparation process of polymer electrode materials for high-performance rechargeable batteries.
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http://dx.doi.org/10.1021/acsami.9b16678 | DOI Listing |
J Phys Chem A
September 2025
Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudzia̧dzka 5, 87-100 Toruń, Poland.
A virtually no-cost method is proposed that can compute the correlation energies of general, covalently bonded, organic, and inorganic molecules (including conjugated π-electron systems) with a well-defined dominant Lewis structure at the accuracy of 99.5% of the near-exact values determined by the coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] in the complete-basis-set (CBS) limit. This Correlation Energy Per Bond (CEPB) method assigns a partial correlation energy to each bond type (characterized by the identities of the two atoms forming the bond and its integer bond order) and to a lone pair, regardless of the bond length, bond angle, sp-hybridization, π-electron conjugation, ionicity, noncovalent interactions, etc.
View Article and Find Full Text PDFSci Adv
September 2025
State Key Laboratory of Bioinspired Interfacial Materials Science, School of Nano Science and Technology, Suzhou Institute for Advanced Research, University of Science and Technology of China, Suzhou 215123, P. R. China.
Acoustic transducers require films that demonstrate both toughness and fatigue resistance, presenting notable challenges when achieved through conventional nanoscale reinforcing strategies. Here, we found that the rib structure of a cicada's tymbal exhibits exceptional toughness and fatigue resistance, attributed to its unique architecture composed of alternating soft and stiff polymer layers. Inspired by this rib structure, we developed a robust artificial rib film (ARF) using a nanoconfined crystallization strategy that involves the deposition of soft polyethylene oxide and stiff phenol formaldehyde.
View Article and Find Full Text PDFSci Adv
September 2025
Division of Basic Sciences, Fred Hutchinson Cancer Center, Seattle, WA 98109, USA.
Integrins bind ligands between their alpha (α) and beta (β) subunits and transmit signals through conformational changes. Early in chordate evolution, some α subunits acquired an "inserted" (I) domain that expanded integrin's ligand-binding repertoire but obstructed the ancestral ligand pocket, seemingly blocking conventional integrin activation. Here, we compare cryo-electron microscopy structures of apo and ligand-bound states of the I domain-containing αEβ integrin and the I domain-lacking αβ integrin to illuminate how the I domain intrinsically mimics an extrinsic ligand to preserve integrin function.
View Article and Find Full Text PDFSci Transl Med
September 2025
Vaccine Research Center (VRC), National Institute of Allergy and Infectious Diseases, National Institutes of Health, Bethesda, MD 20892, USA.
Human B cell immunity to the influenza hemagglutinin (HA) stem, a universal vaccine target, is often stereotyped and immunogenetically restricted, posing hurdles to study outside of humans. Here, we show that cynomolgus macaques vaccinated with an HA stem immunogen elicit humanlike public B cell lineages targeting two major conserved sites of vulnerability, the central stem and anchor epitopes. Central stem antibodies were predominantly derived from V1-138, the macaque homolog of human V1-69, a V gene preferentially used in human central stem broadly neutralizing antibodies (bnAbs).
View Article and Find Full Text PDFPLoS One
September 2025
Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt.
Polar protic and aprotic solvents can effectively simulate the maturation of breast carcinoma cells. Herein, the influence of polar protic solvents (water and ethanol) and aprotic solvents (acetone and DMSO) on the properties of 3-(dimethylaminomethyl)-5-nitroindole (DAMNI) was investigated using density functional theory (DFT) computations. Thermodynamic parameters retrieved from the vibrational analysis indicated that the DAMNI's entropy, heat capacity, and enthalpy increased with rising temperature.
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