Results 41 to 50 of about 1,176,548 (296)
High-throughput computation of Raman spectra from first principles
Scientific Data, 2023 Raman spectroscopy is a widely-used non-destructive material characterization method, which provides information about the vibrational modes of the material and therefore of its atomic structure and chemical composition.
Mohammad Bagheri, Hannu-Pekka Komsa
doaj +1 more source
, 2019 in-situ high pressure Raman spectra of different ...
Xiang Wu (1341072) +3 more
core +1 more source
Directed evolution of enzymes at the crossroads of tradition and innovation
FEBS Open Bio, EarlyView.An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova +2 more
wiley +1 more source
Materials and Devices, 2019 We investigated the hybrid system between Nitrogen doped Single Wall Carbon Nanotubes (N-SWCNT) and fullerene (C60 Â C70) molecules. The structure of the encapsulated fullerenes inside N-SWCNTs is derived from minimum energy calculation using a ...
Hassane Chadli +3 more
doaj +6 more sources
Lymph node pathology using optical spectroscopy in cancer diagnostics [PDF]
, 2008 Raman and infrared spectroscopy are optical spectroscopic techniques that use light scattering (Raman) and light absorption (infrared) to probe the vibrational energy levels of molecules in tissue samples.
Vipond, M. +11 more
core +1 more source
Hyper-Raman Spectra for: Hyper-Raman of Biomolecules
, 2023 This is the hyper-Raman spectra used for the publication of the "Hyper-Raman spectroscopy of biomolecules" journal manuscript. Hyper-Raman spectra of water, D-glucose, L-alanine, L-arabinose, L-tartaric acid, methanol, ethanol, and dimethyl sulfoxide are
Marble, Christopher
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Adenosine triphosphate as a modulator of protein interactions and stability
FEBS Open Bio, EarlyView.ATP is best known as the cell's energy currency, but it also shapes how proteins fold, interact, aggregate and form biomolecular condensates. This review explains the emerging physical principles behind these effects, including weak binding to charged protein regions, magnesium‐dependent behaviour and concentration‐dependent control of protein ...
Shuyuan Tan, Robin Curtis
wiley +1 more source
Development of a Disease Activity Index for the Assessment of VEXAS Syndrome (VEXAS‐DAI)
Arthritis Care &Research, EarlyView.Objective Vacuoles, E1 enzyme, X‐linked, autoinflammatory, somatic syndrome (VEXAS) syndrome is characterized by a complex spectrum of inflammatory and hematologic manifestations. Clinical research to identify effective therapies is urgently needed but is hindered by the lack of validated outcome measures.
Kevin Byram +25 more
wiley +1 more source
Anisotropic effects in the Raman scattering of Re-doped 2H-MoSe2 layered semiconductors
Results in Physics, 2017 We present the anisotropic Raman spectra of the Re-doped MoSe2 layered semiconductor with thicker edge plane grown by chemical vapor transport method.
Chia-Ti Wu +3 more
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Anharmonic Raman spectra simulation of crystals from deep neural networks
AIP Advances, 2021 Raman spectroscopy is an effective tool to analyze the structures of various materials as it provides chemical and compositional information. However, the computation demands for Raman spectra are typically significant because quantum perturbation ...
Honghui Shang, Haidi Wang
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