Results 31 to 40 of about 1,110,031 (286)
Application of the Dynamical Network Biomarker Theory to Raman Spectra
Biomolecules, 2022 The dynamical network biomarker (DNB) theory detects the early warning signals of state transitions utilizing fluctuations in and correlations between variables in complex systems.
Takayuki Haruki +13 more
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Rapid identification of pathogenic bacteria using Raman spectroscopy and deep learning
Nature Communications, 2019 The use of Raman spectroscopy for pathogen identification is hampered by the weak Raman signal and phenotypic diversity of bacterial cells. Here the authors generate an extensive dataset of bacterial Raman spectra and apply deep learning to identify ...
Chi-Sing Ho +9 more
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Preresonance Raman spectra of methylpyridines
Journal of Raman Spectroscopy, 1990 AbstractPreresonance Raman spectra of methylpyridines (picolines) are presented for different incident laser wavelengths. A strong intensity variation of the non‐totally symmetric vibration 10α is observed, which implies a vibronic coupling of the lowest nπ* excited state with the next ππ* (B2u and B1u) states. In addition an intensity increase of some
Kosmidis, C. +2 more
openaire +2 more sources
Frontiers in Microbiology, 2022 With its low-cost, label-free and non-destructive features, Raman spectroscopy is becoming an attractive technique with high potential to discriminate the causative agent of bacterial infections and bacterial infections per se. However, it is challenging
Jia-Wei Tang +10 more
doaj +1 more source
Raman Spectroscopic Study of Five Typical Plasticizers Based on DFT and HF Theoretical Calculation
Foods, 2023 Phthalic acid esters (PAEs) are the most commonly used plasticizers, and long-term or high levels of exposure to PAEs have a huge potential risk to human health.
Tong Sun +3 more
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An FT-Raman, FT-IR, and Quantum Chemical Investigation of Stanozolol and Oxandrolone
Biosensors, 2017 We have studied the Fourier Transform Infrared (FT-IR) and the Fourier transform Raman (FT-Raman) spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT) with a B3LYP/6-31G ...
Tibebe Lemma +3 more
doaj +1 more source
Morphology-based automated baseline removal for raman spectra of artistic pigments [PDF]
, 2010 The interpretation of a Raman spectrum is based on the identification of its characteristic molecular bands. However, the assignment of the vibrational modes is often compromised by the presence in the spectrum of an intense fluorescence background that ...
Pérez Pueyo, Rosanna +5 more
core +3 more sources
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
FEBS Open Bio, EarlyView.UiO‐66(Zr) metal–organic frameworks are chemically stable, biocompatible, and highly tunable nanomaterials. Their modular structure enables controlled drug delivery, multimodal bioimaging, and light‐activated photodynamic therapy, supporting integrated diagnostic and therapeutic (theranostic) applications in cancer and biomedical research.
Veronika Huntošová +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