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作者：Wang, Jiaxing; Wilson, Rebecca S.; Aristilde, Ludmilla
作者单位：Northwestern University
摘要：Clay minerals are implicated in the retention of biomolecules within organic matter in many soil environments. Spectroscopic studies have proposed several mechanisms for biomolecule adsorption on clays. Here, we employ molecular dynamics simulations to investigate these mechanisms in hydrated adsorbate conformations of montmorillonite, a smectite-type clay, with ten biomolecules of varying chemistry and structure, including sugars related to cellulose and hemicellulose, lignin- related phenoli...
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作者：Demars, Matthew D.; O'Connor, Sarah E.
作者单位：Max Planck Society
摘要：Monoterpene indole alkaloids (MIAs) are a large and diverse class of plant natural products, and their biosynthetic construction has been a subject of intensive study for many years. The enzymatic basis for the production of aspidosperma and iboga alkaloids, which are produced exclusively by members of the Apocynaceae plant family, has recently been discovered. Three carboxylesterase (CXE)-like enzymes from Catharanthus roseus and Tabernanthe iboga catalyze regio- and enantiodivergent [4+2] cy...
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作者：Feng, Yejun; Wang, Yishu; Rosenbaum, T. F.; Littlewood, P. B.; Chen, Hua
作者单位：Okinawa Institute of Science & Technology Graduate University; University of Tennessee System; University of Tennessee Knoxville; University of Tennessee System; University of Tennessee Knoxville; California Institute of Technology; University of Chicago; University of Chicago; University of St Andrews; Colorado State University System; Colorado State University Fort Collins
摘要：Charge transport in solids at low temperature reveals a material's mesoscopic properties and structure. Under a magnetic field, Shubnikov-de Haas (SdH) oscillations inform complex quantum transport phenomena that are not limited by the ground state characteristics and have facilitated extensive explorations of quantum and topological interest in two- and three-dimensional materials. Here, in elemental metal Cr with two incommensurately superposed lattices of ions and a spin-density-wave ground...
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作者：Zhang, Daniel T.; Baldauf, Lukas; Roet, Sander; Lervik, Anders; van Erp, Titus S.
作者单位：Norwegian University of Science & Technology (NTNU); Utrecht University
摘要：Capturing rare yet pivotal events poses a significant challenge for molecular simulations. Path sampling provides a unique approach to tackle this issue without altering the potential energy landscape or dynamics, enabling recovery of both thermodynamic and kinetic information. However, despite its exponential acceleration compared to standard molecular dynamics, generating numerous trajectories can still require a long time. By harnessing our recent algorithmic innovations-particularly subtra...
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作者：Anadolu, Mina N.; Sun, Jingyu; Li, Jewel T. - Y.; Graber, Tyson E.; Ortega, Joaquin; Sossin, Wayne S.
作者单位：McGill University; McGill University; McGill University
摘要：Puromycin is covalently added to the nascent chain of proteins by the peptidyl transferase activity of the ribosome and the dissociation of the puromycylated peptide typically follows this event. It was postulated that blocking the translocation of the ribosome with emetine could retain the puromycylated peptide on the ribosome, but evidence against this has recently been published [Hobson et al., Elife 9, e60048 (2020); and Enam et al., Elife 9, e60303 (2020)]. In neurons, puromycylated nasce...
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作者：Gustafsson, Johan; Robinson, Jonathan L.; Zetterberg, Henrik; Nielsen, Jens
作者单位：Chalmers University of Technology; University of Gothenburg; Sahlgrenska University Hospital; University of London; University College London; University of Wisconsin System; University of Wisconsin Madison
摘要：The energy metabolism of the brain is poorly understood partly due to the complex morphology of neurons and fluctuations in ATP demand over time. To investigate this, we used metabolic models that estimate enzyme usage per pathway, enzyme utilization over time, and enzyme transportation to evaluate how these parameters and processes affect ATP costs for enzyme synthesis and transportation. Our models show that the total enzyme maintenance energy expenditure of the human body depends on how gly...
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作者：Liu, Fei; Qu, Peng-Yu; Li, Ji-Peng; Yang, Li-Na; Geng, Yuan-Jun; Lu, Jin-Yu; Zhang, Yan; Li, Sha
作者单位：Nankai University; Shandong Agricultural University
摘要：Protein S-acyl transferases (PATs) catalyze S- acylation, a reversible post- translational modification critical for membrane association, trafficking, and stability of substrate proteins. Many plant proteins are potentially S- acylated but few have corresponding PATs identified. By using genomic editing, confocal imaging, pharmacological, genetic, and biochemical assays, we demonstrate that three Arabidopsis class C PATs positively regulate BR signaling through S- acylation of BRASSINOSTEROID...
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作者：Jiang, Shicheng; Gudem, Mahesh; Kowalewski, Markus; Dorfman, Konstantin
作者单位：East China Normal University; Stockholm University; Hainan University; Hainan University
摘要：We theoretically propose a multidimensional high -harmonic echo spectroscopy technique which utilizes strong optical fields to resolve coherent electron dynamics spanning an energy range of multiple electronvolts. Using our recently developed semiperturbative approach, we can describe the coherent valence electron dynamics driven by a sequence of phase -matched and well -separated short few -cycle strong infrared laser pulses. The recombination of tunnel -ionized electrons by each pulse cohere...
