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Disentangling collective coupling in vibrational polaritons with double quantum coherence spectroscopy.
J Chem Phys
December 2024
Department of Physics, Stockholm University, AlbaNova University Center, SE-10691 Stockholm, Sweden.
Vibrational polaritons are formed by strong coupling of molecular vibrations and photon modes in an optical cavity. Experiments have demonstrated that vibrational strong coupling can change molecular properties and even affect chemical reactivity. However, the interactions in a molecular ensemble are complex, and the exact mechanisms that lead to modifications are not fully understood yet.
View Article and Find Full Text PDFThe Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: the Strange Case of Chichibabin Radicals.
Chemphyschem
December 2024
Oxford University, Department of Chemistry, UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND.
With a view towards the development of molecular spintronics, non-linear optics, and qubits, a great amount of research effort aims to establish the factors which govern the spin classification of diradicals. Electron spin resonance (ESR) is an indispensable tool for such research. However, in some cases, the mere presence of an ESR spectrum is insufficient to ascertain that the presumed diradical is indeed a triplet state.
View Article and Find Full Text PDFCo-expression-wide association studies link genetically regulated interactions with complex traits.
medRxiv
December 2024
Division of Biostatistics and Health Data Science, School of Public Health, University of Minnesota, Minneapolis, MN, USA.
Transcriptome- and proteome-wide association studies (TWAS/PWAS) have proven successful in prioritizing genes and proteins whose genetically regulated expression modulates disease risk, but they ignore potential co-expression and interaction effects. To address this limitation, we introduce the co-expression-wide association study (COWAS) method, which can identify pairs of genes or proteins whose genetically regulated co-expression is associated with complex traits. COWAS first trains models to predict expression and co-expression conditional on genetic variation, and then tests for association between imputed co-expression and the trait of interest while also accounting for direct effects from each exposure.
View Article and Find Full Text PDFDisentangled global and local features of multi-source data variational autoencoder: An interpretable model for diagnosing IgAN via multi-source Raman spectral fusion techniques.
Artif Intell Med
December 2024
College of Software, Xinjiang University, Urumqi 830046, China. Electronic address:
A single Raman spectrum reflects limited molecular information. Effective fusion of the Raman spectra of serum and urine source domains helps to obtain richer feature information. However, most of the current studies on immunoglobulin A nephropathy (IgAN) based on Raman spectroscopy are based on small sample data and low signal-to-noise ratio.
View Article and Find Full Text PDFNanocomposites Based on Disentangled Ultra-High Molecular Weight Polyethylene: Aspects and Specifics of Solid-State Processing.
Polymers (Basel)
December 2024
Laboratory of Structure of Polymer Materials, Enikolopov Institute of Synthetic Polymer Materials Russian Academy of Sciences (ISPM RAS), Profsoyuznaya St. 70, 117393 Moscow, Russia.
The stages of solid-state processing of nanocomposites, based on nascent disentangled ultra-high-molecular-weight polyethylene (d-UHMWPE) reactor powders (RPs) and carbon nanoparticles (NPs) of various types, were meticulously investigated. The potential for optimizing the filler distribution through variation of the processing parameters, and the impact of the d-UHMWPE RP and nanofiller type on the electrical conductivity of the resulting composites were discussed. The specifics of the dependences of conductivity and tensile strength on the deformation ratio for the composites, oriented under homogeneous shear conditions, were investigated.
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