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22 results for “vibrational spectroscopy”
Dataset used in manuscript Tailored Nanoscale Plasmon-Enhanced Vibrational Electron Spectroscopy
<p>This file contains the raw dataset used in the manuscript "Tailored Nanoscale Plasmon-Enhanced Vibrational Electron Spectroscopy" published in L. H. G. Tizei et al Nano Letters, 2020 (doi: 10.1021/acs.nanolett.9b04659)</p> <p><br> Data has been acquired using Nion Swift (https://nionswift.readthedocs.io/en/stable/). Experimental details can be found in L. H. G. Tizei et al Nano Letters, 2020 (doi: 10.1021/acs.nanolett.9b04659).<br> <br> The dataset has been analyzed using the following Python libraries:</p> <p>Numpy, Scipy, Hyperspy, Matplotlib</p> <p>EELS hyperspectral images have been aligned using the Hyperspy "align1D" method. Aligned EELS hyperspectral images are saved in files finished with "_Aligned.hspy":</p> <p>For the strong coupling experiments:<br> Tip 1 is on hBN<br> Tip 2 is on vacuum</p> <p>For each of the nanowires tips, a file with the fitted coefficients are available, as well as a plot of the data and the fitted curve.</p> <p>Datasets have been fitted with gaussian and/or lorentizan functions, as described in the published text.</p> <p>Any question can be forwarded to the corresponding authors of the published text.</p> <p> </p>
Vibrational coherences in half-broadband 2D electronic spectroscopy: spectral filtering to identify excited state displacements
<p>All data presented in the figures of "Vibrational coherences in half-broadband 2D electronic spectroscopy: spectral filtering to identify excited state displacements".</p>
Data for Transient 2D IR spectroscopy and multiscale simulations reveal vibrational couplings in the Cyanobacteriochrome Slr1393-g3
<p>Data used in the Manuscript Transient 2D IR spectroscopy and multiscale simulations reveal vibrational couplings in the Cyanobacteriochrome Slr1393-g3</p>
External cavity quantum cascade laser vibrational circular dichroism spectroscopy for fast and sensitive analysis of proteins at low concentrations (Data analysis)
<p>This record contains a docker container image of the data evaluation shown in the publication "External cavity quantum cascade laser vibrational circular dichroism spectroscopy for fast and sensitive analysis of proteins at low concentrations". The evaluations can be accessed by running the container and accessing the contained Jupyter Lab via a browser. The calculations are contained in 'Eval_protein_D2O.ipynb'.</p> <p>To run the container (requires docker):</p> <p>1.download 'd2o_vcd.tar'</p> <p>2. in the command line, execute 'docker load -i d2o_vcd.tar'. This will return something like 'Loaded image: <image_name>' with image_name probably being "drhermann/vcd_d2o_00:trial_03"</p> <p>3. then 'docker run -p 8889:8889 <image_name>' replacing the brackets with the actual name of the image, such as drhermann/vcd_d2o_00:trial_03</p> <p>4.In your command line a link starting in 'http://127.0.0.1:8888/lab?token=...' will appear. Open this link in your browser to access the evaluation.</p>
Data for Vibrational Couplings between Protein and Co-factor in Bacterial Phytochrome Agp1revealed by 2D-IR Spectroscopy
<p>2D-IR data for the bacteriophytochrome Agp1 in the Pr and Pfr states </p>
Molecular factors determining brightness in fluorescence-encoded infrared vibrational spectroscopy
<p>Uploaded to this link are the datasets used for calculating the FEIR activities of the normal modes of ten coumarins studied in this work. We recommend going through the readme file (readme_file.txt), which should guide the reader through the data files.</p>
Vibrational Probe at the Electrochemical Interface: Dependence on Plasmon Coupling and Potential on the Lineshape in Two-Dimensional Infrared Spectroscopy
<p>These files contain the data presented in the research article: Vibrational Probe at the Electrochemical Interface: Dependence on Plasmon Coupling and Potential on the Lineshape in Two-Dimensional Infrared Spectroscopy by Melissa Bodine, Vepa Rozyyev, Jeffrey W. Elam, Andrei Tokmakoff and Nicholas H. C. Lewis J. Phys. Chem. Lett., (2023)</p>
Computational data for "Measurement of Coherent Vibrational Dynamics with X-ray Transient Absorption Spectroscopy Simultaneously at the Carbon K- and Chlorine L$_{2,3}$- Edges"
<p>Contains:<br><br>1. Code for and results from, time-dependent Schroedinger equation simulations for the molecular normal modes under strong electric fields inducing impulsive stimulated Raman processes.</p> <p>2. Molecular orbitals obtained from ROKS calculations for the C 1s and Cl 2p excited states (with spin-free one-electron X2C). </p>
Raw data for "Signatures of Intra- and Intermolecular Vibrational Coupling in Halogenated Liquids Revealed by Two-Dimensional Raman-Terahertz Spectroscopy"
<p>Raw data for "Signatures of Intra- and Intermolecular Vibrational Coupling in Halogenated Liquids Revealed by Two-Dimensional Raman-Terahertz Spectroscopy"</p>
Fig. 5 in A robust method for simultaneous quantification of eugenol, eugenyl acetate, and β-caryophyllene in clove essential oil by vibrational spectroscopy
Fig. 5. The score plots of the wavenumbers obtained from the best PLS models. a) Total eugenol, b) Eugenyl acetate, c) β-caryophyllene. PLS: Partial least square.
Fig. 4 in A robust method for simultaneous quantification of eugenol, eugenyl acetate, and β-caryophyllene in clove essential oil by vibrational spectroscopy
Fig. 4. The plots of the regression coefficients and the predicted versus reference values of the major compounds obtained from the best PLS models. a) Total eugenol, b) Eugenyl acetate, c) β-caryophyllene. PLS: Partial least square.
Fig. 3 in A robust method for simultaneous quantification of eugenol, eugenyl acetate, and β-caryophyllene in clove essential oil by vibrational spectroscopy
Fig. 3. ATR-FTIR spectra of the calibration sets. a) Total eugenol, b) Eugenyl acetate, c) β-caryophyllene. ATR-FTIR: Attenuated total reflectance- Fourier transform infrared.
Fig. 2 in A robust method for simultaneous quantification of eugenol, eugenyl acetate, and β-caryophyllene in clove essential oil by vibrational spectroscopy
Fig. 2. GC-MS chromatogram obtained with the analysis of CO13 sample. GC-MS: Gas chromatography-mass spectrometry; CO: Clove oil.
Fig. 1 in A robust method for simultaneous quantification of eugenol, eugenyl acetate, and β-caryophyllene in clove essential oil by vibrational spectroscopy
Fig. 1. The molecular structures of the major components of clove essential oil. a) Eugenol, b) Eugenyl acetate, c) β-caryophyllene.
Vibrational Neutron Spectroscopy Data for Small Molecule Organic Semiconductors
Open the record for dataset details and reuse information.
Dataset for "Multiple helium tagging and OH vibrational spectroscopy of cold protonated glycine ions"
<p>Dataset for "Multiple helium tagging and OH vibrational spectroscopy of cold protonated glycine ions"</p>
Data from two dimensional electronic spectroscopy showing that photosynthesis tunes quantum-mechanical mixing of electronic and vibrational states to steer exciton energy transfer
Open the record for dataset details and reuse information.
A Unified View of Vibrational Spectroscopy Simulation through Kernel Density Estimations
<p>Please see ref:</p><p>Botella, R.; Kistanov, A., A. <i>J. Phys. Chem. Lett.</i> <strong>2023</strong>, 14, 3691-3697</p>
Evaluation of the Role of Vibrational Spectroscopy in the Assessment of Vulval Disease
ClinicalTrials.gov study NCT02223975. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Vibrational Spectroscopy for Endometrial Cancer Diagnosis
ClinicalTrials.gov study NCT05026073. IPD Sharing: Not stated. Countries: 1. Publications: 0.
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.