Article
Biochemistry & Molecular Biology
Muhammad Tayyab Akhtar, Muneeba Samar, Anam Amin Shami, Muhammad Waseem Mumtaz, Hamid Mukhtar, Amna Tahir, Syed Shahzad-ul-Hussan, Safee Ullah Chaudhary, Ubedullah Kaka
Summary: Meat is a rich source of nutrition and energy, with different types consumed globally to meet varying dietary requirements. This study successfully differentiated various meat samples based on their metabolite profiles using NMR spectroscopy and multivariate data analysis techniques. Key metabolites were identified that distinguish between different types of meat, showcasing the potential of NMR-based metabolomics as a tool for quality control and differentiation purposes in the meat industry.
Article
Obstetrics & Gynecology
Federica Murgia, Stefano Angioni, Maurizio Nicola D'Alterio, Silvia Pirarba, Antonio Noto, Maria Laura Santoru, Laura Tronci, Vassilios Fanos, Luigi Atzori, Francesca Congiu
Summary: Metabolomic analysis revealed significant metabolic alterations in patients with endometriosis, including increased beta-hydroxybutyric acid and glutamine levels, and decreased tryptophan levels. ROC curve analysis demonstrated the diagnostic potential of these metabolites in distinguishing individuals with endometriosis.
REPRODUCTIVE SCIENCES
(2021)
Article
Chemistry, Applied
Ana Isabel Tristan, Ana Cristina Abreu, Luis Manuel Aguilera-Saez, Araceli Pena, Andres Conesa-Bueno, Ignacio Fernandez
Summary: FTIR and NMR metabolomics approaches were used to characterize the metabolic changes in Spanish melon landraces during ripening, with NMR outperforming FTIR in discriminating between different varieties. Increased fruit maturation led to specific changes in metabolite levels, impacting the antioxidant capacity of fruits.
Article
Biochemistry & Molecular Biology
Liam J. Ward, Gustav Engvall, Henrik Green, Fredrik C. Kugelberg, Carl Soderberg, Albert Elmsjo
Summary: Postmortem metabolomics can be used to differentiate causes of death, particularly those related to hypoglycemia. This study focused on identifying a metabolic fingerprint for insulin intoxication deaths and screening for unknown hypoglycemia-related deaths. The results showed distinct metabolic differences between insulin intoxication deaths and other groups.
Article
Endocrinology & Metabolism
C. Piras, M. Pibiri, V. P. Leoni, A. Balsamo, L. Tronci, N. Arisci, S. Mariotti, L. Atzori
Summary: The study revealed significant metabolic changes in patients with hypothyroidism before treatment, some of which persisted even after achieving euthyroidism. Metabolomics approach could potentially enhance the assessment of thyroid disorders and treatment efficacy compared to traditional hormone assays.
JOURNAL OF ENDOCRINOLOGICAL INVESTIGATION
(2021)
Article
Food Science & Technology
Davide Calzolari, Gabriele Rocchetti, Luigi Lucini, Stefano Amaducci
Summary: This study comprehensively evaluated the oil content, antioxidant activity, phenolic and sterolic composition of hemp seeds, finding that seed dimension is inversely correlated to total oil content and different varieties exhibit significant chemical composition differences. Harvesting methods also impact oil quality, with mechanical harvest and post-harvest handling affecting acidity value. Varieties, geographical origin, and harvest type were found to influence phytochemical profiles.
FOOD RESEARCH INTERNATIONAL
(2021)
Article
Biochemistry & Molecular Biology
Gabriele Rocchetti, Francesca Ghilardelli, Paolo Bonini, Luigi Lucini, Francesco Masoero, Antonio Gallo
Summary: In this study, metabolomics approach was used to investigate changes in cow milk chemical profiles due to diets based on mycotoxins-contaminated corn silages. The study identified potential correlations between the quality of contaminated corn silages and milk composition, with amino acids and peptides showing the highest metabolite enrichment.
Article
Biochemistry & Molecular Biology
Stephanie Watermann, Caroline Schmitt, Tobias Schneider, Thomas Hackl
Summary: H-1 NMR spectroscopy combined with chemometric methods was used to analyze the geographical origin of walnut samples. Different NMR spectra were compared for multivariate analysis and a support vector machine classifier was applied for sample differentiation. The study showed the potential of H-1-C-13 HSQC as a 2D NMR experiment for metabolomics studies.
Article
Agriculture, Multidisciplinary
Paola Bambina, Alberto Spinella, Giuseppe Lo Papa, Delia Francesca Chillura Martino, Paolo Lo Meo, Onofrio Corona, Luciano Cinquanta, Pellegrino Conte
Summary: The soil effect on the micro-component composition of Nero d'Avola wines obtained from different locations was investigated using 1H NMR-based metabolomics. The study found that the differences among wines were not only due to the concentrations of various analytes but also to the characteristics of the H-bond network. Furthermore, the H-bond network was found to be related to the soil properties.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
R. Conde, R. Laires, L. G. Goncalves, A. Rizvi, C. Barroso, M. Villar, R. Macedo, M. J. Simoes, S. Gaddam, P. Lamosa, L. Puchades-Carrasco, A. Pineda-Lucena, A. B. Patel, S. C. Mande, S. Banerjee, M. Matzapetakis, A. Coelho
Summary: This study utilized Nuclear Magnetic Resonance based metabolomics to discover a signature of biomarkers for tuberculosis diagnosis. Six metabolites associated with TB infection were validated, in line with the recommendations of the World Health Organization.
BIOMEDICAL JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Leon Gabriel Gomez-Archila, Martina Palomino-Schatzlein, Wildeman Zapata-Builes, Maria T. Rugeles, Elkin Galeano
Summary: Understanding how the human body reacts to HIV-1 exposure is essential for research. Some individuals have natural resistance to HIV-1, while others can control the replication and progression of the virus. Metabolomics is a useful method for studying these phenomena and identifying biomarkers and altered metabolic pathways.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2023)
Review
Biochemistry & Molecular Biology
Dieuwertje Augustijn, Huub J. M. de Groot, A. Alia
Summary: Metabolomics is a method used to simplify the complexity of plants and understand the pathways of plant phenotypes. HR-MAS NMR can eliminate the extraction step of metabolites from samples, saving time and costs. HR-MAS NMR has important applications in plant metabolomics.
Article
Biochemistry & Molecular Biology
Joao P. P. Vieira, Filip Ottosson, Amra Jujic, Vladimir Denisov, Martin Magnusson, Olle Melander, Joao M. N. Duarte
Summary: Combining LC-MS and NMR techniques improves the discrimination of metabolic disease development, including those induced by a high-fat diet. The study confirms that metabolic pathways in mice affected by high-fat diet also impact diabetes in humans.
Article
Food Science & Technology
Gabriele Rocchetti, Francesca Ghilardelli, Francesco Masoero, Antonio Gallo
Summary: In this study, a retrospective screening of bulk milk samples for regulated and emerging mycotoxins was conducted using UHPLC-HRMS technology. The results revealed significant variations in mycotoxin levels in milk samples from different clusters based on corn silage contamination profiles, with specific compounds showing predictive ability. The study also highlighted the impact of feeding system composition and other factors on mycotoxin contamination patterns in milk samples.
Article
Geriatrics & Gerontology
Li Meng, Ruiyue Yang, Daguang Wang, Wenbin Wu, Jing Shi, Ji Shen, Yamin Dang, Guoqing Fan, Hong Shi, Jun Dong, Huan Xi, Pulin Yu
Summary: This study identifies specific metabolites associated with sarcopenic parameters in older men. The study highlights the potential roles of acylcarnitines and LPCs in sarcopenia and its components.
Article
Biophysics
Amith Sadananda Maroli, Robert Powers
Summary: Metabolomics aims to quantitatively analyze metabolites in a biological system, serving as markers of genomic and phenotypic changes. NMR spectroscopy plays a crucial role in understanding physiological systems and identifying biomarkers, with its versatility in analyzing in vitro, in vivo, and ex vivo samples. Ex vivo studies using NMR-based metabolomics can provide valuable information comparable to in vitro studies, which is important for translational medicine.
NMR IN BIOMEDICINE
(2023)
Article
Biochemical Research Methods
Isin T. Sakallioglu, Amith S. Maroli, Aline De Lima Leite, Robert Powers
Summary: This study introduces a rapid reversed-phase ultra-high-performance liquid chromatography-high resolution mass spectrometry method for mycobacterial lipidomics analysis, which achieves separation of various lipid classes specific to mycobacterium in a short runtime of 14 minutes. The method demonstrates high sensitivity and faster sample throughput compared to existing methods.
JOURNAL OF CHROMATOGRAPHY A
(2022)
Article
Biochemistry & Molecular Biology
Christian W. Johnson, Hyuk-Soo Seo, Elizabeth M. Terrell, Moon-Hee Yang, Fenneke KleinJan, Teklab Gebregiworgis, Genevieve M. C. Gasmi-Seabrook, Ezekiel A. Geffken, Jimit Lakhani, Kijun Song, Puspalata Bashyal, Olesja Popow, Joao A. Paulo, Andrea Liu, Carla Mattos, Christopher B. Marshall, Mitsuhiko Ikura, Deborah K. Morrison, Sirano Dhe-Paganon, Kevin M. Haigis
Summary: A conserved GTPase cycle is a unifying feature of the RAS superfamily, in which the proteins transition between active and inactive states. Autophosphorylation of some GTPases serves as an intrinsic regulatory mechanism that affects nucleotide hydrolysis and exchange, thereby altering the signaling functions. The autophosphorylation promotes nucleotide exchange by opening the active site and extracting the stabilizing Mg2+, and leads to altered effector interactions and active site dynamics.
Article
Chemistry, Applied
Hefei Zhao, Yinglun Zhan, Zheng Xu, Joshua John Nduwamungu, Yuzhen Zhou, Robert Powers, Changmou Xu
Summary: This study integrated nine supervised machine learning algorithms into a Raman spectroscopy protocol to achieve rapid detection and analysis of oil qualities. The ML-derived model showed high accuracy in detecting oil type and predicting adulteration, outperforming PCA in classifying edible oils based on fatty acid compositions.
Article
Biochemical Research Methods
Greg A. Somerville, Allison A. Parrett, Joseph M. Reed, Stewart G. Gardner, Martha Morton, Robert Powers
Summary: The metabolic adaptation of Staphylococcus aureus in a complex environment is crucial for its antibiotic resistance.
JOURNAL OF PROTEOME RESEARCH
(2022)
Article
Oncology
Heidi E. Roth, Robert Powers
Summary: Metabolomics is widely applied in the diagnosis of various human diseases, but inconsistencies in identified metabolites due to different experimental factors highlight concerns about the accuracy and reproducibility of clinical metabolomics data. Despite these challenges, a consistent set of potential biomarkers for diseases like pancreatic ductal adenocarcinoma (PDAC) have been identified and warrant further investigation to improve diagnostic and treatment strategies.
Article
Biochemistry & Molecular Biology
Heidi E. Roth, Aline De Lima Leite, Nicolas Y. Palermo, Robert Powers
Summary: This study focuses on pancreatic cancer and identifies the human protein DNAJA1 as a potential therapeutic target. Through NMR structure determination and drug screening, the structure of DNAJA1, the binding sites of protein and ligand, and potential binding partners are identified. The findings suggest a crucial role of DNAJA1 in cellular oncogenesis and pancreatic cancer.
Article
Chemistry, Analytical
Fatema Bhinderwala, Thao Vu, Thomas G. Smith, Julian Kosacki, Darrell D. Marshall, Yuhang Xu, Martha Morton, Robert Powers
Summary: This article discusses the importance of using multispectral approaches to improve the accuracy and convenience of metabolite assignments, as well as the common experiments used in metabolite assignments. It also explores the impact of 13C-labeled feedstocks like glucose on experimental results and the corresponding improvement methods.
ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Fatema Bhinderwala, Heidi E. Roth, Hannah Noel, Dennis Feng, Robert Powers
Summary: The reliability and robustness of metabolite assignments in 1H NMR are affected by various factors, such as temperature, pH, and mixture composition. This study provides a collection of NMR spectra of metabolites at different pH and temperature to assist in automated metabolite assignments. The results demonstrate the challenges in accurately assigning NMR peaks under diverse environmental conditions and highlight the importance of expert intervention and reference databases with spectra under a range of conditions for improving accuracy and reproducibility.
JOURNAL OF MAGNETIC RESONANCE
(2022)
Article
Chemistry, Multidisciplinary
Isin T. Sakallioglu, Amith S. Maroli, Aline De Lima Leite, Darrell D. Marshall, Boone W. Evans, Denise K. Zinniel, Patrick H. Dussault, G. Barletta, Robert Powers
Summary: The mechanism of action of a clickable fatty acid analogue (DA-CB) against Mycobacterium smegmatis was investigated using proteomics, metabolomics, and lipidomics. The results showed that DA-CB disrupts the biosynthesis of mycolic acids and induces collateral alterations in bacterial metabolism. These findings suggest that DA-CB and related compounds could be explored as new tuberculosis therapeutics.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Biology
Isin Tuna Sakallioglu, Bridget Tripp, Jacy Kubik, Carol A. Casey, Paul Thomes, Robert Powers
Summary: Excessive alcohol consumption causes the greatest damage to the liver due to its detoxification primarily taking place in the liver. Fatty liver is one of the initial pathological changes that occur in response to alcohol consumption. Continuous alcohol abuse can lead to more severe liver diseases such as fibrosis, cirrhosis, and cancer. This study utilized high-throughput biochemical assays and multiomics analysis to identify molecular changes induced by alcohol during the development of fatty liver. The findings revealed alterations in fatty acid species, glucuronidation, and cholesterol metabolism, providing insights into potential targets for treating alcohol related fatty liver disease.
Article
Biochemistry & Molecular Biology
Tessa Andrews, Javier Seravallic, Robert Powers
Summary: DJ-1 is a homodimeric protein that plays a central role in various human diseases including Parkinson's disease. It protects cells from oxidative damage and mitochondrial dysfunction by controlling reactive oxygen species. The pathology of DJ-1 is caused by a loss of function due to oxidation of a conserved cysteine residue, which leads to protein destabilization and inactivation. Understanding the structural changes of DJ-1 under different oxidative states and temperatures is important for studying its role in Parkinson's disease progression.
Review
Chemistry, Multidisciplinary
Micah J. Jeppesen, Robert Powers
Summary: Metabolomics samples contain thousands of metabolites, but single analytical techniques can only characterize a few hundred. This limitation can be overcome by using a multiplatform approach and employing synergistic sample preparation and multiple probabilistic methods for peak detection and metabolite identification. However, the analysis of large data sets from different analytical techniques presents challenges in data processing and requires the use of multivariate analysis methods.
MAGNETIC RESONANCE IN CHEMISTRY
(2023)
Article
Oncology
Narendra Kumar, Satyanarayana Rachagani, Gopalakrishnan Natarajan, Alexandra Crook, Thiyagarajan Gopal, Vinothkumar Rajamanickam, Jyoti B. Kaushal, Sirpu N. Nagabhishek, Robert Powers, Surinder K. Batra, Viswanathan Saraswathi
Summary: Adjuvant nutritional intervention has gained attention in the treatment of pancreatic cancer due to the toxicity of chemotherapeutic drugs. The combination of histidine (His) and gemcitabine (Gem) enhances the anticancer effects of Gem by regulating His uptake and metabolism, promoting oxidative stress and depleting the amino acid pool in pancreatic cancer cells. In vitro and in vivo studies demonstrate the cytotoxic effect and tumor-reducing effect of His + Gem treatment.
Article
Mathematical & Computational Biology
Thao Vu, Yuhang Xu, Yumou Qiu, Robert Powers
Summary: This study proposes a shifting-corrected regularized regression method to automatically identify and quantify metabolites in complex mixtures. The method performs well in simulation studies and is validated in real data applications.