High-throughput computation of Raman spectra from first principles
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
CHEMICALLY MODIFIED PHOTOSYNTHETIC BACTERIAL REACTION CENTERS: CIRCULAR DICHROISM, RAMAN RESONANCE, LOW TEMPERATURE ABSORPTION, FLUORESCENCE AND ODMR SPECTRA AND POLYPEPTIDE COMPOSITION OF BOROHYDRIDE TREATED REACTION CENTERS FROM Rhodobacter sphaeroides R26 [PDF]
Reaction centers from Rhodobacter sphaeroides have been modified by treatment with sodium borohydride similar to the original procedure [Ditson et al., Biochim. Biophys. Acta 766, 623 (1984)], and investigated spectroscopically and by gel electrophoresis.
A. Angerhofer +11 more
core +1 more source
Directed evolution of enzymes at the crossroads of tradition and innovation
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
Anisotropic effects in the Raman scattering of Re-doped 2H-MoSe2 layered semiconductors
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
doaj +1 more source
Optical Absorption and Raman Spectroscopy Study of the Fluorinated Double-Wall Carbon Nanotubes [PDF]
Double-wall carbon nanotube (DWNT) samples have been fluorinated at room temperature with varied concentration of a fluorinating agent BrF3. Content of the products estimated from X-ray photoelectron data was equal to CF0.20 and CF0.29 in the case of ...
Flahaut, Emmanuel +8 more
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This study presents a reversible temperature sensor with high switching ratio, ∼103. The device is fabricated using PET‐ITO and carbon nanotube dispersions in alkane. Considering its application in cold chain logistics, a proof‐of‐concept with LED is showcased. Thus, a temperature drop below the threshold temperature (crystallization temperature of the
Sunil Kumar Behera +8 more
wiley +1 more source
Anharmonic Raman spectra simulation of crystals from deep neural networks
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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A Compact Spin‐Coated Graphene UWB Antenna for Breast Tumor Detection
A compact, spin‐coated graphene ultra‐wideband patch antenna designed for breast tumor detection, capable of distinguishing between malignant and benign tumors. This innovative antenna can serve as an effective initial screening tool, particularly in resource‐limited settings such as rural areas, where access to advanced medical equipment like MRI and ...
Raja Rashidul Hasan +9 more
wiley +1 more source
Copper‐based composites enhanced with carbon feature convenient mechanical properties and favorable electric conductivity. Processing via deformation and thermomechanical treatments can introduce advantageous microstructures further enhancing their performance. Herein, copper–graphene powder‐based composites are directly consolidated via rotary swaging
Radim Kocich +3 more
wiley +1 more source
Multimodal Data‐Driven Microstructure Characterization
A self‐consistent autonomous workflow for EBSP‐based microstructure segmentation by integrating PCA, GMM clustering, and cNMF with information‐theoretic parameter selection, requiring no user input. An optimal ROI size related to characteristic grain size is identified.
Qi Zhang +4 more
wiley +1 more source

