Results 1 to 10 of about 2,909,703 (371)

Ordinal analysis applied to the results of positive matrix factorization of chemical ionization mass spectrometry data

open access: goldMethodsX, 2020
As an innovative analytical approach ordinal analysis is applied to positive matrix factorization (PMF) analysis outputs to identify the most important species and factors in chemical ionization mass spectrometry (CIMS) data. The procedure and outcome of
Xiangrui Kong, Jan B.C. Pettersson
doaj   +4 more sources

Excitation-Emission Matrix Spectroscopy for Analysis of Chemical Composition of Combustion Generated Particulate Matter [PDF]

open access: goldEnvironmental Science & Technology, 2019
Analysis of particulate matter (PM) is critical for the assessment of human exposures to potentially harmful agents, notably combustion-generated PM; specifically polycyclic aromatic hydrocarbons (PAHs) found in them and associated with carcinogenic and mutagenic effects.
Gaurav Mahamuni   +7 more
  +7 more sources

Solid-phase excitation-emission matrix spectroscopy for chemical analysis of combustion aerosols.

open access: yesPLoS ONE, 2021
Exposure to ultrafine combustion aerosols such as particulate matter (PM) from residential woodburning, forest fires, cigarette smoke, and traffic emission have been linked to adverse health outcomes.
Gaurav Mahamuni   +7 more
doaj   +4 more sources

IQA analysis of the two-particle density matrix: chemical insight and computational efficiency [PDF]

open access: hybridTheoretical Chemistry Accounts, 2023
AbstractThe interacting quantum atoms (IQA) method offers a rigorous and minimal route to calculate atomic electron correlation energies from the two-particle density matrix (2PDM). The price paid is that this method is very time-consuming. However, employing CCSD and CCSD(T), we explore several approaches to speed up such calculations.
Mark A. Vincent, Paul L. A. Popelier
openalex   +3 more sources

Data Processing Thresholds for Abundance and Sparsity and Missed Biological Insights in an Untargeted Chemical Analysis of Blood Specimens for Exposomics

open access: yesFrontiers in Public Health, 2021
Background: An untargeted chemical analysis of bio-fluids provides semi-quantitative data for thousands of chemicals for expanding our understanding about relationships among metabolic pathways, diseases, phenotypes and exposures.
Dinesh Kumar Barupal   +3 more
doaj   +2 more sources

New Physico-Chemical Analysis of Magnesium-Doped Hydroxyapatite in Dextran Matrix Nanocomposites [PDF]

open access: goldPolymers, 2023
The new magnesium-doped hydroxyapatite in dextran matrix (10MgHApD) nanocomposites were synthesized using coprecipitation technique. A spherical morphology was observed by scanning electron microscopy (SEM). The X-ray diffraction (XRD) characterization results show hydroxyapatite hexagonal phase formation.
Daniela Predoi   +7 more
openalex   +3 more sources

Methods for the analysis of endocrine disrupting chemicals in selected environmental matrixes

open access: hybridEnvironmental Research, 2021
Endocrine disrupting chemicals (EDCs) are heterogenous in structure, chemical and physical properties, and their capacity to partition into various environmental matrixes. In many cases, these chemicals can disrupt the endocrine systems of vertebrate and invertebrate organisms when present at very low concentrations.
Chris D. Metcalfe   +5 more
openalex   +3 more sources

SOURCE IDENTIFICATION OF ENVIRONMENTAL POLLUTANTS USING CHEMICAL ANALYSIS AND POSITIVE MATRIX FACTORIZATION

open access: green, 2012
Multivariate modeling techniques are successfully used in different areas of environmental research because of their ability to process large data sets. The main objective of their application lies in the determination of data structures and hidden information which account for the data set variability. This thesis work seeks to explore the application
Sara Comero
openalex   +3 more sources

Reducing the matrix effects in chemical analysis: fusion of isotope dilution and standard addition methods

open access: yesMetrologia, 2016
The combination of isotope dilution and mass spectrometry has become an ubiquitous tool of chemical analysis. Often perceived as one of the most accurate methods of chemical analysis, it is not without shortcomings. Current isotope dilution equations are not capable of fully addressing one of the key problems encountered in chemical analysis: the ...
Pagliano, Enea, Meija, Juris
openaire   +4 more sources

Solid Phase Excitation-Emission Matrix Spectroscopy for In-Situ Chemical Analysis of Combustion Aerosols

open access: gold, 2020
Exposure to combustion generated aerosols such as PM from residential woodburning, forest fires, cigarette smoke, and traffic emission have been linked to adverse health outcomes. It is important to assess the chemical composition of PM to examine personal exposure.
Gaurav Mahamuni   +6 more
openalex   +2 more sources

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