Analytical chemistry

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ViBench: vibrational spectrum-to-structure benchmark

dataset posted on 2025-05-07

ClaritySpectra: Raman spectra analysis tool

media posted on 2025-05-05

Aaron Celestian

Experiment data for "Cutting Edge NMR: new tools for analyzing mixtures of fluorinated species"

dataset posted on 2025-04-30 in University of Manchester

<b>Data-Driven Mass Spectrometry for Drug Discovery and Bioanalysis: High-Throughput Desi and 2D MS/MS</b>

Data-Driven Mass Spectrometry for Drug Discovery and Bioanalysis: High-Throughput Desi and 2D MS/MS

thesis posted on 2025-04-28 in Purdue University Graduate School

My Phuong Thi Le

<b>Fundamental and applied studies of accelerated chemical synthesis and complex mixture analysis by ambient ionization mass spectrometry</b>

Fundamental and applied studies of accelerated chemical synthesis and complex mixture analysis by ambient ionization mass spectrometry

thesis posted on 2025-04-28 in Purdue University Graduate School

Dylan Taylor Holden

Raw Data and trained model

dataset posted on 2025-04-28

FILES UNDER EMBARGO

MOLECULAR COMPUTATIONS AND REACTIVITY STUDIES ON NITROGEN (N)-CONTAINING HETEROCYCLES

thesis posted on 2025-04-25 in Purdue University Graduate School

<b>Quantitative Single-Cell Analysis Method for Stimulated Raman Scattering Images</b>

Quantitative Single-Cell Analysis Method for Stimulated Raman Scattering Images

thesis posted on 2025-04-22 in Purdue University Graduate School

Helen Claire Campbell

<b>ACTIVATION PARAMETERS OF SMALL BIOMOLECULE IONS MEASURED VIA DIPOLAR DC KINETICSIN A QUADRUPOLE ION TRAP</b>

ACTIVATION PARAMETERS OF SMALL BIOMOLECULE IONS MEASURED VIA DIPOLAR DC KINETICSIN A QUADRUPOLE ION TRAP

thesis posted on 2025-04-22 in Purdue University Graduate School

Samantha A Mehnert

Supplementary Dataset for "Molecular Self-Assembly, Rearrangement and Disassembly of {Cr₆} Horseshoe Oligomers"

dataset posted on 2025-04-22

GC-MS Surface Response Data for Instrument Optimization

dataset posted on 2025-04-21

Near-Infrared Spectrometry as a Tool for Screening Meropenem for Quality

Near-Infrared Spectrometry as a Tool for Screening Meropenem for Quality

dataset posted on 2025-04-21

GC-MS Screening Data for Instrument Optimization

dataset posted on 2025-04-21

<b>INCORPORATION OF GAS PHASE ION/ION REACTION CHEMISTRIES AND ION PARKING INTO NATIVE MASS SPECTROMETRY </b>

INCORPORATION OF GAS PHASE ION/ION REACTION CHEMISTRIES AND ION PARKING INTO NATIVE MASS SPECTROMETRY

thesis posted on 2025-04-14 in Purdue University Graduate School

Nicolas Josef Pizzala

Untargeted In Vitro Metabolomics data from Burkholderia cenocepacia J2315, H111 and Staphylococcus aureus NRS77 Biofilm Supernatant

dataset posted on 2025-04-09

Program and abstracts of the conference Current Trends in Applied Mass Spectrometry at the KBC Umeå on March 19th and 20th, 2025

Program and abstracts of the conference Current Trends in Applied Mass Spectrometry at the KBC Umeå on March 19th and 20th, 2025

online resource posted on 2025-04-08 in SciLifeLab

Theresa Kieselbach

FTIR data for S1, S3 and S4

FTIR data for S1, S3 and S4

dataset posted on 2025-04-07

Data.zip

dataset posted on 2025-04-02

Shaping Electrospray Plume with Convergent Sound Beams

dataset posted on 2025-04-02

Supplementary Dataset for the "Energetics of Carboxylate-Metal Bonds in Polymetallic Rings"

dataset posted on 2025-04-01

Data for article "The Role of Focused Laser Plasmonics in Shaping SERS Spectra of Molecules on Nanostructured Surfaces"

dataset posted on 2025-03-31

OzMALDI Experimental Data

OzMALDI Experimental Data

dataset posted on 2025-03-27 in Iowa State University

collection:
Nanoneedle Lipidomics

posted on 2025-03-27 in King's College London

Nanoneedle Lipidomics: Limit of Detection

dataset posted on 2025-03-27 in King's College London

Nanoneedle Lipidomics: ESI

dataset posted on 2025-03-27 in King's College London

Nanoneedle Lipidomics: MSMS

dataset posted on 2025-03-27 in King's College London

Nanoneedle Lipidomics: spatiotemporal

dataset posted on 2025-03-27 in King's College London

Nanoneedle Lipidomics: tissue_repeats

dataset posted on 2025-03-27 in King's College London

Nanoneedle Lipidomics: human_frozen

dataset posted on 2025-03-27 in King's College London

Nanoneedle Lipidomics: mouse_frozen

dataset posted on 2025-03-27 in King's College London

Nanoneedle Lipidomics: optimisation

dataset posted on 2025-03-27 in King's College London

Nanoneedle Lipidomics: substrates

dataset posted on 2025-03-27 in King's College London

Experimental design for standard dilution analysis (SDA)

Experimental design for standard dilution analysis (SDA)

figure posted on 2025-03-25

Daniel E. Bustos

Table. 2. The Parameters of Electromagnetic Radiation (EM-R).

Table. 2. The Parameters of Electromagnetic Radiation (EM-R).

dataset posted on 2025-03-24

Mahmoud E. Yousif

Table. 1. Parameters of the Atomic Spectra for the seven n’ series of hydrogen atom.

Table. 1. Parameters of the Atomic Spectra for the seven n’ series of hydrogen atom.

dataset posted on 2025-03-24

Mahmoud E. Yousif

Figure 2. Structure of hydrogen atom & spectral emission

Figure 2. Structure of hydrogen atom & spectral emission

figure posted on 2025-03-23

Mahmoud E. Yousif

Supplymental materials for the manuscript of determination and quality evaluation of coptisine and berberine hydrochloride in Corydalis conspersa by the method of HPLC

Supplymental materials for the manuscript of determination and quality evaluation of coptisine and berberine hydrochloride in Corydalis conspersa by the method of HPLC

figure posted on 2025-03-22

Rapid Quality Assessment of Ceftriaxone Using Near-Infrared Spectroscopy

Rapid Quality Assessment of Ceftriaxone Using Near-Infrared Spectroscopy

journal contribution posted on 2025-03-14

Model Checkpoint

software posted on 2025-03-12

Particle size (DLS), surface charge (ELS), protein content (Bradford assay), carbohydrate content (Anthrone test) and HPAEC_PAD, analytical SEC, fat content (GC-MS) and gravimetry, mineral content (ICP-MS) and photographs of oat and bovine milk

Particle size (DLS), surface charge (ELS), protein content (Bradford assay), carbohydrate content (Anthrone test) and HPAEC_PAD, analytical SEC, fat content (GC-MS) and gravimetry, mineral content (ICP-MS) and photographs of oat and bovine milk

dataset posted on 2025-03-11 in Macquarie University