Development and Application of Solid-State NMR Methods for Investigating Protein Structure and Dynamics by Gelenter, Martin D.

“…The orientational anisotropy is associated with a flip in the orientation of water molecules above and below H19 and is associated with the charge state of H19.…”
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Illuminating reaction pathways in low-temperature combustion, pyrolysis & atmospheric oxidation by Goldman, Mark Jacob.

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Designing Highly Luminescent Molecular Aggregates via Bottom-Up Nanoscale Engineering by Barotov, Ulugbek, Klein, Megan D., Wang, Lili, Bawendi, Moungi G.

“…Coupling of excitations between organic fluorophores in J-aggregates leads to coherent delocalization of excitons across multiple molecules, resulting in materials with high extinction coefficients, long-range exciton transport, and, in particular, short radiative lifetimes. …”
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Computational Methods for Studying Phonon Dynamics by Rohskopf, Andrew

“…In solids and molecules, atoms vibrate about their respective equilibrium positions at finite temperature. …”
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Quantum Chemistry Meets Machine Learning: Autonomous Computational Workflow for Chemical Discovery by Duan, Chenru

“…Together with machine learning (ML) models trained on these data sets as either surrogate function approximations or generative models, accelerated chemical discovery for functional molecules and materials are achieved. Current automation workflows, however, are far from perfect. …”
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Planning Implications Related to Sterilization-Sensitive Science Investigations Associated with Mars Sample Return (MSR) by Summons, Roger

“…Sterilization-sensitive measurements include the abundances and oxidation-reduction (redox) states of redox-sensitive elements, and isotope abundances and ratios of most of them. All organic molecules, and most minerals and naturally occurring amorphous materials that formed under habitable conditions, contain at least one redox-sensitive element. …”
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Methanol—A Poor Biosignature Gas in Exoplanet Atmospheres by Huang, Jingcheng, Seager, Sara, Petkowski, Janusz J, Zhan, Zhuchang, Ranjan, Sukrit

“…The CH3OH bioproduction flux required to reach the JWST detection threshold of 10 ppm must be of the order of 1014 molecules cm−2 s−1, which is roughly three times the annual O2 production on Earth. …”
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Screening for New Pathways in Atmospheric Oxidation Chemistry with Automated Mechanism Generation by Barber, Victoria P, Green, William H, Kroll, Jesse H

“…These discoveries highlight the need for methods that systematically explore the chemistry of complex, functionalized molecules without being prohibitively expensive. In this work, automated reaction network generation is used as a screening tool for new pathways in atmospheric oxidation chemistry. …”
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Human Breast Milk microRNAs, Potential Players in the Regulation of Nervous System by Freiría-Martínez, Luis, Iglesias-Martínez-Almeida, Marta, Rodríguez-Jamardo, Cynthia, Rivera-Baltanás, Tania, Comís-Tuche, María, Rodrígues-Amorím, Daniela, Fernández-Palleiro, Patricia, Blanco-Formoso, María, Diz-Chaves, Yolanda, González-Freiria, Natalia, Suárez-Albo, María, Martín-Forero-Maestre, Montserrat, Durán Fernández-Feijoo, Cristina, Fernández-Lorenzo, Jose Ramón, Concheiro Guisán, Ana, Olivares, Jose Manuel, Spuch, Carlos

“…One of the key aspects in the regeneration of the nervous system is that there are practically no molecules that can be used as potential drugs. In the first weeks of lactation, we know that human breast milk must contain the mechanisms to transmit molecular and biological information for brain development. …”
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Rational design strategies for redox flow batteries by Neyhouse, Bertrand J.

“…Despite these favorable characteristics, current embodiments remain prohibitively expensive for broad adoption, motivating the development of new electrolyte formulations (e.g., redox molecules, supporting salts, solvents) and reactor materials (e.g., electrodes, flow fields, membranes) to meet performance and cost targets for emerging applications. …”
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Engineering Myeloid Cell Phenotype Using Cell Surface-Adhered Microparticles for Therapeutic Applications by Kapate, Neha

“…I delve into designing backpacks that load various drug molecules to promote anti- or pro-inflammatory phenotypes. …”
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Towards Practical Fixed-Wing Aircraft with Electroaerodynamic Propulsion by Brown, Arthur

“…Electroaerodynamic (EAD) propulsion is a novel means of generating thrust via collisions between ions and neutral molecules. EAD thrusters have no moving parts, and are therefore almost silent; they may therefore be useful for aircraft propulsion in applications where silence is valuable. …”
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Financing repurposed drugs for rare diseases: a case study of Unravel Biosciences by Abouarab, Bechara, Bazarian, Christian, Ben Chaouch, Zied, Lo, Andrew W., Mourenza Gonzalez, Guillermo, Novak, Richard, Vigneault, Frederic

“…We use the specific example of Unravel Biosciences—a therapeutics platform company that identifies novel drug targets through off-target mechanisms of existing drugs and then develops optimized new molecules—throughout the paper and explore a specific scenario of drug repurposing for rare genetic diseases. …”
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Polymerization force–regulated actin filament–Arp2/3 complex interaction dominates self-adaptive cell migrations by Chen, Xindong, Li, Yuhui, Guo, Ming, Xu, Bowen, Ma, Yanhui, Zhu, Hanxing, Feng, Xi-Qiao

“…Yet it remains poorly understood how such complicated dynamic behaviors emerge from millisecond-scale assembling activities of protein molecules, which are hard to probe experimentally. …”
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A computational framework for modeling and simulating vibrational mode dynamics by Rohskopf, Andrew, Li, Ruiyang, Luo, Tengfei, Henry, Asegun

“…Atomic vibrations influence a variety of phenomena in solids and molecules, ranging from thermal transport to chemical reactions. …”
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Integrative and Scalable Pipeline for Multi-omic Characterization of Biological Tissues by Choi, Seo Woo

“…Revealing the identities of thousands of molecules with intact spatial context, however, is challenging as repeated exposure to molecular probe attachment conditions damages the biomolecular integrity. …”
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Development of Broadband Semiconductor Laser Frequency Combs by Zeng, Tianyi

“…Quantum Cascade Laser (QCL) is a compact, mature and flexible coherent radiation source in both terahertz (THz) and mid-infrared (midIR) frequency range. Many molecules have rotational-vibrational absorption bands in midIR, making QCL-based dual comb spectroscopy (DCS) systems the ideal tool for field deployable multi-species detection system. …”
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Engineering Tumor-Localized Therapies for Cancer – from Antioxidant Enzymes to Cytokines and Radiation Therapy by Sheen, Allison Mae

“…Immunotherapies activate the patient’s immune system to recognize and kill cancer cells, while targeted therapies broadly target molecules or pathways involved in growth and survival of cancer cells. …”
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Back to the Basics of SARS-CoV-2 Biochemistry: Microvascular Occlusive Glycan Bindings Govern Its Morbidities and Inform Therapeutic Responses by Scheim, David E., Parry, Peter I., Rabbolini, David J., Aldous, Colleen, Yagisawa, Morimasa, Clancy, Robert, Borody, Thomas J., Hoy, Wendy E.

“…SARS-CoV-2 SP attaches particularly tightly to the trillions of red blood cells (RBCs), platelets and endothelial cells in the human body, each cell very densely coated with sialic acid surface molecules but having no ACE2 or minimal ACE2. These interlaced attachments trigger the blood cell aggregation, microvascular occlusion and vascular damage that underlie the hypoxia, blood clotting and related morbidities of severe COVID-19. …”
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Activity and Stability Design Principles of Transition Metal Compounds for Decarbonization by Peng, Jiayu

“…One of the most promising sustainable technologies is transforming earth-abundant molecules and compounds into value-added fuels, chemicals, and materials with electricity converted from solar and wind energy using electrolyzers. …”
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