AIMC Topic: Gas Chromatography-Mass Spectrometry
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A deep convolutional neural network for the estimation of gas chromatographic retention indices.
Journal of chromatography. A
Jul 29, 2019
A deep convolutional neural network was used for the estimation of gas chromatographic retention indices on non-polar (polydimethylsiloxane and polydimethyl(5%-phenyl) siloxane) stationary phases. The neural network can be used for candidate ranking ...
Spatial Variability of Aroma Profiles of Cocoa Trees Obtained through Computer Vision and Machine Learning Modelling: A Cover Photography and High Spatial Remote Sensing Application.
Sensors (Basel, Switzerland)
Jul 11, 2019
Cocoa is an important commodity crop, not only to produce chocolate, one of the most complex products from the sensory perspective, but one that commonly grows in developing countries close to the tropics. This paper presents novel techniques applied...
Streamlining Quality Review of Mass Spectrometry Data in the Clinical Laboratory by Use of Machine Learning.
Archives of pathology & laboratory medicine
Feb 20, 2019
CONTEXT.—: Turnaround time and productivity of clinical mass spectrometric (MS) testing are hampered by time-consuming manual review of the analytical quality of MS data before release of patient results.
Development and validation of a sensitive method for alkyl sulfonate genotoxic impurities determination in drug substances using gas chromatography coupled to triple quadrupole mass spectrometry.
Journal of pharmaceutical and biomedical analysis
Dec 30, 2018
Alkyl sulfonate esters have been widely concerned as genotoxic impurities (GTIs). A gas chromatography triple-quadrupole mass spectrometry (GC-MS/MS) method has been developed for trace determination of 9 commonly encountered sulfonate esters in drug...
Qualitative and Quantitative Analysis of Cathinones in Human Urine by SPE-GC-MS.
Fa yi xue za zhi
Dec 25, 2018
OBJECTIVES: To propose an alternative solid phase extraction-gas chromatography-mass spectrometry （SPE-GC-MS） method for the sensitive determination of cathinones in human urine samples, plus methodological verification.
Quantitative analysis of desomorphine in blood and urine using solid phase extraction and gas chromatography-mass spectrometry.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
Dec 18, 2018
Desomorphine, a semi-synthetic opioid, is a component of the street drug Krokodil. Despite continued reports of Krokodil use, confirmation via toxicological testing remains scarce. The lack of confirmed desomorphine reports may be in part due to the ...
Chaos enhanced grey wolf optimization wrapped ELM for diagnosis of paraquat-poisoned patients.
Computational biology and chemistry
Nov 22, 2018
Paraquat (PQ) poisoning seriously harms the health of humanity. An effective diagnostic method for paraquat poisoned patients is a crucial concern. Nevertheless, it's difficult to identify the patients with low intake of PQ or delayed treatment. Here...
Identification and quantification of essential oil content and composition, total polyphenols and antioxidant capacity of Perilla frutescens (L.) Britt.
Food chemistry
Sep 25, 2018
The objective of this study was to investigate the volatile compounds of the leaves of ten perilla accessions as well as to determine total polyphenols, antioxidant capacity. Essential oil (EOs) content ranged from 0.33 to 1.75 mL/100 g d.w. in PS3 a...
A metabolomics-based approach for non-invasive screening of fetal central nervous system anomalies.
Metabolomics : Official journal of the Metabolomic Society
May 25, 2018
BACKGROUND: Central nervous system anomalies represent a wide range of congenital birth defects, with an incidence of approximately 1% of all births. They are currently diagnosed using ultrasound evaluation. However, there is strong need for a more a...
Preliminary investigation of human exhaled breath for tuberculosis diagnosis by multidimensional gas chromatography - Time of flight mass spectrometry and machine learning.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
Jan 4, 2018
Tuberculosis (TB) remains a global public health malady that claims almost 1.8 million lives annually. Diagnosis of TB represents perhaps one of the most challenging aspects of tuberculosis control. Gold standards for diagnosis of active TB (culture ...
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