Adulteration of diesel fuel poses a major concern in most developing countries including Ghana despite the many regulatory schemes adopted. The solvent tracer analysis approach currently used in Ghana has over the years suffered several limitations which affect the overall implementation of the scheme. There is therefore a need for alternative or supplementary tools to help detect adulteration of automotive fuel. Herein we describe a two-level classification method that combines NMR spectroscopy and machine learning algorithms to detect adulteration in diesel fuel. The training sets used in training the machine learning algorithms contained 20-40% w/w adulterant, a level typically found in Ghana. At the first level, a classification model is built to classify diesel samples as neat or adulterated. Adulterated samples are passed on to the second stage where a second classification model identifies the type of adulterant (kerosene, naphtha, or premix) present. Samples were analyzed by H NMR spectroscopy and the data obtained were used to build and validate support vector machine (SVM) classification models at both levels. At level 1, the SVM model classified all 200 samples with only 2.5% classification errors after validation. The level 2 classification model developed had no classification errors for kerosene and premix in diesel. However, 2.5% classification error was recorded for samples adulterated with naphtha. Despite the great performance of the proposed schemes, it showed significantly erratic predictions with adulterant levels below 20% w/w as the training sets for both models contained adulterants above 20% w/w. The proposed method, nevertheless, proved to be a potential tool that could serve as an alternative to the marking system in Ghana for the fast detection of adulterants in diesel.
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http://dx.doi.org/10.1007/s00216-024-05384-9 | DOI Listing |
J Med Chem
January 2025
Inner Mongolia Key Laboratory for Molecular Regulation of the Cell, Inner Mongolia University, Hohhot 010021, People's Republic of China.
In this study, we synthesized 12 monofunctional tridentate ONS-donor salicylaldimine ligand ()-based Ru(II) complexes with general formula [(Ru()(-cymene)]·Cl (-), characterized by H NMR, C NMR, UV, FT-IR spectroscopy, HR-ESI mass spectrometry, and single-crystal X-ray analysis showing ligand's orientation around the Ru(II) center. All 12 of these 12 complexes were tested for their anticancer activities in multiple cancer cells. The superior antitumor efficacy of , , and was demonstrated by reduced mitochondrial membrane potential, impaired proliferative capacity, and disrupted redox homeostasis, along with enhanced apoptosis through caspase-3 activation and downregulation of Bcl-2 expression.
View Article and Find Full Text PDFGastro Hep Adv
September 2024
Department of Epidemiology, Erasmus MC, University Medical Center Rotterdam, Rotterdam, The Netherlands.
Background And Aims: Steatotic liver disease (SLD) is the most common chronic liver disease strongly associated with metabolic dysfunction, but its pathogenesis remains incompletely understood. Exploring plasma circulating metabolites may help in elucidating underlying mechanisms and identifying new biomarkers for SLD.
Methods: We examined cross-sectionally the association between plasma metabolites and SLD as well as liver enzymes using data from 4 population-based cohort studies (Rotterdam study, Avon Longitudinal Study of Parents and Children, The Insulin Resistance Atherosclerosis Family Study, and Study of Latinos).
Beilstein J Org Chem
January 2025
Department of Chemistry, University of Rhode Island, 140 Flagg Rd, Kingston, RI 02881, USA.
The CFH group can act as a hydrogen bond donor, serving as a potential surrogate for OH or SH groups but with a weaker hydrogen bond donation ability. Here, we describe a series of CFH group-containing moieties that facilitate hydrogen bond interactions. We survey hydrogen bond donation ability using several established methods, including H NMR-based hydrogen bond acidity determination, UV-vis spectroscopy titration with Reichardt's dye, and H NMR titration using tri--butylphosphine oxide as a hydrogen bond acceptor.
View Article and Find Full Text PDFFront Nutr
January 2025
Department of Food and Human Nutritional Sciences, Faculty of Agriculture and Food Sciences, University of Manitoba, Winnipeg, MB, Canada.
Soft Matter
January 2025
Dipartimento di Chimica e Chimica Industriale, University of Pisa, via Moruzzi 13, Pisa 56124, Italy.
In the field of chiral smectic liquid crystals, orthoconic antiferroelectric liquid crystals (OAFLCs) have attracted the interest of the scientific community due to the very high tilt angle, close to 45°, and the consequent optical properties. In the present study, the first H NMR investigation is reported on two samples, namely 3F5HPhF9 and 3F7HPhF8, showing the phase sequence isotropic-SmC*-SmC* and the phase sequence isotropic-SmA-SmC*-SmC*, respectively, when cooling from the isotropic to the crystalline phases. To this aim, the liquid crystals were doped with a small amount of deuterated probe biphenyl-4,4'-diol-d.
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