Article
Chemistry, Multidisciplinary
Nafisat Lawal, Isaya Thaveesangsakulthai, Thumnoon Nhujak, Chadin Kulsing
Summary: In this study, a two-phase electrocoagulation method was developed to investigate the stability of diesel fuel. The results showed that the method effectively increased the content of straight chain alkanes and alcohols, while decreasing the content of branched cyclic alkanes. The method is cost-effective and can be performed within an hour.
Article
Instruments & Instrumentation
Ivana Hradecka, Romana Velvarska, Karolina Dlaskova Jaklova, Ales Vrablik
Summary: This study successfully determined seven key properties of diesel fuel using NIR spectroscopy combined with chemometrics multivariate calibrations and the PLS algorithm, demonstrating that NIR spectroscopy is an efficient tool for online monitoring during fuel production.
INFRARED PHYSICS & TECHNOLOGY
(2021)
Review
Chemistry, Multidisciplinary
Hadi Parastar, Roma Tauler
Summary: This Review summarizes the analysis of big (bio)chemical data using multivariate chemometric methods and discusses the challenges faced by analytical research. It emphasizes the potential of chemometric methods in solving BBCD problems in chromatographic, spectroscopic, and hyperspectral imaging measurements, with applications to omics sciences. The review provides insights on addressing analysis of BBCD, obtaining reliable qualitative and quantitative results. It discusses the importance of big data in (bio)chemistry, presents analytical tools for generating BBCD, and the theoretical background and limitations of chemometric methods when applied to BBCD. The review highlights the importance of chemometric methods in analyzing BBCD in different chemical disciplines with examples.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Analytical
Celina Monzon, Sonia Schoneich, Robert E. Synovec
Summary: The study used GC-GC-TOFMS and PCA to investigate the effects of farming pacu fish with rice fields on the metabolome of the fish. The majority of metabolites were found to be downregulated in the farmed fish, with some involved in important metabolic processes such as protein catabolism, nucleotide metabolism, and tissue repair.
MICROCHEMICAL JOURNAL
(2021)
Review
Chemistry, Applied
Haroon Elrasheid Tahir, Muhammad Arslan, Gustav Komla Mahunu, Abdalbasit Adam Mariod, Sulafa B. H. Hashim, Zou Xiaobo, Shi Jiyong, Hesham R. El-Seedi, Taha H. Musa
Summary: The global market for imported, high-quality priced foods has grown significantly in the past decade, leading to a stronger demand for accurate origin labeling of food products. This review discusses the efforts made in using analytical tools and multivariate analysis for the verification of the geographical origin of oils, as well as trends in geographical authentication research and preferred journals for dissemination. Overall, this article provides a useful guideline for the food industry and quality control authorities in selecting appropriate methods for authenticating oils.
Article
Chemistry, Applied
Aileen Pua, Rui Min Vivian Goh, Yunle Huang, Vivien Chia Yen Tang, Kim-Huey Ee, Maurin Cornuz, Shao Quan Liu, Benjamin Lassabliere, Bin Yu
Summary: This review summarizes the analytical challenges associated with coffee's complex volatile composition and matrix complexity, and discusses recent developments in instrumental techniques to address them. It evaluates the benefits of state-of-the-art analytical techniques applied to coffee volatile analysis and proposes analytical workflows for different objectives and concerns.
Article
Chemistry, Applied
Rujirat Pumbua, Nontawat Sricharoen, Kanet Wongravee, Thanit Praneenararat
Summary: With the increasing emphasis on the flavor complexity of coffees, it is crucial for the sustainable growth of the coffee industry to distinguish the properties of different coffee sources. In this study, paper spray mass spectrometry (PS-MS) was used to collect mass data from aqueous extracts of coffees from various sources, and principal component analysis and linear discriminant analysis were employed to successfully classify coffee samples. Fisher weight determination further confirmed the practicality of this method in differentiating coffees based on types and geographical origins, paving the way for broader applications.
Article
Instruments & Instrumentation
Issam Barra, Mohammed Alaoui Mansouri, Tarik El Moatassem, Mourad Kharbach, Hicham Abou Oualid, Yahia Cherrah, Mohamed Hanafi, El Mostafa Qannari, Abdelaziz Bouklouze
Summary: This study tested the application of Fourier transform medium infrared spectroscopy (FTMIR) for the rapid characterization of key performance-related diesel properties. The proposed methodology, based on the use of Partial Least Square Regression (PLSR), led to accurate predictions of ten properties of interest. The approach using medium infrared spectroscopy (MIR) is recommended as an accurate, eco-friendly, rapid, and reliable solution.
INFRARED PHYSICS & TECHNOLOGY
(2022)
Article
Chemistry, Analytical
Yuchen Zou, Weiwei Tang, Bin Li
Summary: Spatial segmentation is important in mass spectrometry imaging (MSI) data analysis, as it helps to identify homogeneous/heterogeneous subgroups and provides vital characteristics for biological analysis. This study proposes a segmentation pipeline that utilizes pattern compression by principal component analysis (PCA) for easy and effective segmentation.
Article
Thermodynamics
M. Kalil Rahiman, S. Santhoshkumar, D. Subramaniam, A. Avinash, Arivalagan Pugazhendhi
Summary: This study investigates the suitability of a tri-fuel blend (diesel, ethanol and di-butyl ether) for diesel engines, with the D40 BE60 blend showing superior performance in terms of fuel economy and reduction in NOx and smoke emissions. The research suggests that the use of this alternative fuel blend can lead to significant enhancements in performance and reduction in emissions compared to traditional diesel fuel, offering a promising solution for reducing environmental impact.
Article
Engineering, Multidisciplinary
Babalola Aisosa O. Oni, Samuel Eshorame Sanni, Benjamin O. Ezurike, Emmanuel Emeka Okoro
Summary: So far, the research conducted on biofuels has not taken into account the corrosive effects of Schinzochytrium sp. microalgae biodiesel on diesel engines. This study compares the corrosion behaviors of different metals in preheated schinzochytrium sp. microalgae biodiesel and its blends, and finds that copper is the most susceptible to biodiesel corrosion at both room temperature and 60 degrees C.
ALEXANDRIA ENGINEERING JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Michele Spinelli, Alessandra Biancolillo, Gennaro Battaglia, Martina Foschi, Angela Amoresano, Maria Anna Maggi
Summary: This study aimed to evaluate if saffron samples produced in different years and origins have significantly different crocin compositions. By analyzing 120 samples harvested in four different Italian areas using HPLC-ESI-MS/MS, the relevance of origin and annuity in affecting crocin composition was confirmed. SIMCA models were created for each origin and tested using mixtures of saffron from different areas, providing satisfying results.
Article
Environmental Sciences
A. Ruth Godfrey, Jonathan Dunscombe, Anthony Gravell, Ann Hunter, Mark P. Barrow, Geertje van Keulen, Claire Desbrow, Rachel Townsend
Summary: The study demonstrates that the modified QuEChERS sample preparation method is a viable option for efficient and cost-effective monitoring of environmental pollutants. The method offers reduced extraction times, good reproducibility, and the ability to differentiate between different samples. It also identifies new potential pollutant candidates.
Article
Chemistry, Applied
Sung-Tong Chin, Gerhard Hoerlendsberger, Kok Wai Wong, Sirui Li, Sze How Bong, Luke Whiley, Julien Wist, Reika Masuda, Johan Greeff, Elaine Holmes, Jeremy K. Nicholson, Ruey Leng Loo
Summary: In this study, a one-step isopropanol method and a two-step methyl-tert-butyl ether method were compared for extracting lipid species in chicken egg yolks before LC-MS/MS analysis. The isopropanol method showed high reproducibility in extracting 937 lipid species from 20 major lipid subclasses. Machine learning techniques successfully differentiated cage, barn, and free-range eggs with high accuracy. The lipid profiles of these eggs were found to be characteristic and could be used for verifying the provenance of conventional chicken eggs.
Article
Chemistry, Applied
Clemente Ortiz-Romero, Rocio Rios-Reina, Diego L. Garcia-Gonzalez, Maria Jose Cardador, Raquel M. Callejon, Lourdes Arce
Summary: This study aimed to evaluate the potential of analytical techniques for classifying and predicting different categories of olive oil. The results showed that infrared spectroscopy (MIR and NIR) and head-space gas chromatography coupled to an ion mobility spectrometer (HS-GC-IMS) had high classification success rates, with HS-GC-IMS showing greater potential.
Article
Medicine, Legal
John W. McIlroy, Ruth Waddell Smith, Victoria L. McGuffin
FORENSIC SCIENCE INTERNATIONAL
(2015)
Article
Medicine, Legal
Seth R. Hogg, Brian C. Hunter, Ruth Waddell Smith
JOURNAL OF FORENSIC SCIENCES
(2016)
Article
Medicine, Legal
Kristen L. Reese, A. Daniel Jones, Ruth Waddell Smith
FORENSIC SCIENCE INTERNATIONAL
(2017)
Article
Medicine, Legal
Melissa A. Bodnar Willard, Victoria L. McGuffin, Ruth Waddell Smith
FORENSIC SCIENCE INTERNATIONAL
(2017)
Article
Medicine, Legal
Karlie M. McManaman, Ruth Waddell Smith
JOURNAL OF FORENSIC SCIENCES
(2014)
Article
Medicine, Legal
Kaitlin R. Prather, Suzanne E. Towner, Victoria L. McGuffin, Ruth Waddell Smith
JOURNAL OF FORENSIC SCIENCES
(2014)
Article
Biochemical Research Methods
Melissa A. Bodnar Willard, Ruth Waddell Smith, Victoria L. McGuffin
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
(2014)
Article
Chemistry, Analytical
Amanda L. Burkhart, Ruth Waddell Smith, Victoria L. McGuffin
Summary: A kinetic model was developed to predict evaporation of compounds based on gas chromatographic retention index. Experimental determination of rate constants for highly volatile compounds allowed for extension of the model's applicability range with successful validation through comparison of predicted and experimental chromatograms.
ANALYTICA CHIMICA ACTA
(2021)
Article
Chemistry, Analytical
Natasha K. Eklund, Briana A. Capistran, Victoria L. McGuffin, Ruth Waddell Smith
FORENSIC CHEMISTRY
(2020)
Article
Chemistry, Analytical
Melissa A. Bodnar Willard, Jack E. Hurd, Ruth Waddell Smith, Victoria L. McGuffin
FORENSIC CHEMISTRY
(2020)
Article
Chemistry, Analytical
John W. McIlroy, Ruth Waddell Smith, Victoria L. McGuffin
Article
Chemistry, Analytical
Amanda L. Setser, Ruth Waddell Smith
FORENSIC CHEMISTRY
(2018)
Article
Chemistry, Analytical
Alexandria Anstett, Fanny Chu, David E. Alonso, Ruth Waddell Smith
FORENSIC CHEMISTRY
(2018)
Article
Criminology & Penology
Thomas J. Holt, Kristie R. Blevins, Ruth Waddell Smith
JOURNAL OF CRIME & JUSTICE
(2017)
Article
Chemistry, Analytical
Ruth Waddell Smith, Rebecca J. Brehe, John W. McIlroy, Victoria L. McGuffin
FORENSIC CHEMISTRY
(2016)