Publications

Featured Publication:


"Unraveling the Pathogenesis of Crimean-Congo Hemorrhagic Fever: A Novel Approach via Non-Targeted Metabolomics by NMR Spectroscopy." (2023).

The application of metabolomics for studying modifications in host metabolism due to viral infections has proven to be a game-changing approach. Prior to our study, only one other ‘omics’ study has been carried out that investigates the interplay between the host and CCHFV and its subsequent pathogenesis. We employed NMR spectroscopy, given its advantages in terms of reproducibility, minimal sample preparation, and capability to analyze complex biofluids. Our methodology builds upon the proven success of metabolomics in the research of other viral hemorrhagic fevers such as Ebola, Marburg, and Dengue. Our research underlines the critical role of SAH, a metabolite involved in numerous biochemical reactions. We provide new insights into the metabolic alterations occurring in CCHF patients. These alterations not only shed light on the disease’s pathogenesis but also pave the way for potential biomarkers and therapeutic targets. Among all the metabolites detected, S-Adenosyl-L-homocysteine and Carnosine stood out as the most prevalent, warranting further exploration of their roles in CCHFV pathogenesis and their potential as therapeutic targets.

Dag, Cagdas, Oktay Göcenler, Kerem Kahraman, Derya Yapar, Yaren Kahraman, Cengizhan Büyükdag, Gülen Esken et al.

View 2006 - 2022 Publications 

262) Mérida Donoso, Salvador, Amparo Navea Tejerina, María Carmen Desco Esteban, Bernardo Celda, Mercedes Pardo Tendero, José Manuel Morales Tatay, and Francisco Bosch Morell. "Glutathione and a pool of metabolites partly related to oxidative stress are associated with low and high myopia in an altered bioenergetic environment." Antioxidants, vol. 13, i. 5 (27 apr.) (2024).

261) Rastogi, Sanjeev, Ankita Verma, Rimjhim Trivedi, Anuj Shukla, and Dinesh Kumar. "Clinical metabolomics investigation of rheumatoid arthritis patients receiving ayurvedic whole system intervention." Journal of Ayurveda and Integrative Medicine 15, no. 4 (2024): 101009.

260) Li, Minghui, Yuanyuan Meng, Xuelian Hong, Hui Chai, Jianye Huang, Fengge Wang, Wenjie Zhang, Juncheng Wang, Qingwang Liu, and Yuekang Xu. "Anti-atherosclerotic effect of tetrahydroxy stilbene glucoside via dual‐targeting of hepatic lipid metabolisms and aortic M2 macrophage polarization in ApoE-/-mice." Journal of Pharmaceutical and Biomedical Analysis (2024): 116338.

259) Ferreira, Helena, Daniela Duarte, Tatiana J. Carneiro, Célia Costa, Joana C. Barbosa, João E. Rodrigues, Paulo Alves et al. "IMPACT OF A LEGUMES DIET ON THE HUMAN GUT MICROBIOME ARTICULATED WITH FECAL AND PLASMA METABOLOMES: A PILOT STUDY." Clinical Nutrition ESPEN (2024).

258) Aizan Abdul Kadir, Noor Atiqah, Azrina Azlan, and Maisarah Abdul Mutalib. "Metabolite Alteration Associated with Dabai Pulp Oil Supplementation in Hypercholesterolemic Rats." Malaysian Journal of Medicine & Health Sciences 20, no. 3 (2024).

257) Petracci, Massimiliano, Alessio Bonaldo, and Federico Sirri. "Partial substitution of soybean meal with microalgae meal (Arthrospira spp.− Spirulina) in grower and finisher diets for broiler chickens: implications on performance parameters, footpad dermatitis occurrence, breast meat quality traits, amino acid digestibility and plasma metabolomics profile." (2024).

256) Delaroque, Clara, Erica Bonazzi, Marine Huillet, Sandrine Ellero-Simatos, Fuhua Hao, Andrew Patterson, and Benoit Chassaing. "Maternal diet alters offspring early life host-microbiota communication through goblet cells, resulting in long-lasting diseases susceptibility." bioRxiv (2024): 2024-07.

255) Cirillo, Arianna, Guillaume Resimont, Justine Massias, Yann Guitton, François Jouret, Emmanuelle Vidal-Petiot, Martin Flamant, Pierre Delanaye, and Pascal de Tullio. "How urine metabolomics can help in the follow-up of kidney transplant recipients: An untargeted metabolomics-based multiplatform study." (2024).

254) Lewis, James D., Scott G. Daniel, Hongzhe Li, Fuhua Hao, Andrew D. Patterson, Aaron L. Hecht, Colleen M. Brensinger et al. "Surgery for Crohn’s Disease Is Associated With a Dysbiotic Microbiome and Metabolome: Results From Two Prospective Cohorts." Cellular and Molecular Gastroenterology and Hepatology 18, no. 3 (2024): 101357.

253) Lee, Geonhui, Claudia Wong, Anna Cho, Junior J. West, Ashleigh J. Crawford, Gabriella C. Russo, Bishwa Ranjan Si et al. "E-cadherin Induces Serine Synthesis to Support Progression and Metastasis of Breast Cancer." Cancer Research (2024).

252) Oliverio, Angela M., Adrienne B. Narrowe, Jorge A. Villa, Christian Rinke, David W. Hoyt, Pengfei Liu, Bridget B. McGivern et al. "Mapping the soil microbiome functions shaping wetland methane emissions." bioRxiv (2024): 2024-02.

251) Razali, Nur Syafinaz Mohd, Mhd Ikhwanuddin Abdullah, M. Maulidiani, Nigel J. Gooderham, Mahboob Alam, and Nurul Huda Abd Kadir. "Ecotoxicological impact of heavy metals on wild mud crabs (Scylla olivacea) in Malaysia: An integrative approach of omics, molecular docking and human risk assessment." Science of The Total Environment (2024): 174210.

250) Dosquet, Marie. "Mémoire." (2024).

249) Γαβρίλα, Ανδρομάχη. "Μελέτη του μεταβολώματος του zebrafish μετά την έκθεσή του στα βιοπολυμερή πολυ (3-υδροξυβουτυρικό οξύ) και πολυ (ηλεκτρικό βουτυλεστέρα)." Master's thesis, 2024.

248) Yuan, Yaqian, Jiamu Kang, Shuangwen Fei, Xinling Qin, Xue Lin, Xiangrong Wang, Bo Zhao, Cuihua He, Sixin Liu, and Congfa Li. "Lactiplantibacillus plantarum causes the abnormal fermentation of bacterial cellulose by Komagataeibacter nataicola during nata de coco production." Food Bioscience (2024): 104603.

247) Yang, Zhibo, Qiuyu Lan, Xiaoyu Liu, Zijian Cai, Rui Zeng, Junni Tang, Xiaole Jiang, Chenglin Zhu, Bin Hu, and Luca Laghi. "Effects of pretreatment methods on the flavor profile and sensory characteristics of kiwi wine based on 1H-NMR, GC-IMS and E-tongue." LWT (2024): 116375.

246) Wu, Yali, Xinyi Wang, Wenli Zhang, Jun Fu, Kaidong Jiang, Yuying Shen, Chen Li, and Hongchang Gao. "Modulation of Choline and Lactate Metabolism by Basic Fibroblast Growth Factor Mitigates Neuroinflammation in Type 2 Diabetes: Insights from 1H-NMR Metabolomics Analysis." Neuropharmacology (2024): 110049.

245) Γαβρίλα, Ανδρομάχη. "Μελέτη του μεταβολώματος του zebrafish μετά την έκθεσή του στα βιοπολυμερή πολυ (3-υδροξυβουτυρικό οξύ) και πολυ (ηλεκτρικό βουτυλεστέρα)." Master's thesis, 2024.

244) Yang, Ling, Jing‐Chao Zhu, Shi‐Jia Li, Xi Zeng, Xin‐Ru Xue, Yue Dai, and Zhi‐Feng Wei. "HSP90β shapes the fate of Th17 cells with the help of glycolysis‐controlled methylation modification." British Journal of Pharmacology.

243) Mollica, Davide, Chayaporn Thanthithum, Clemencia Chaves Lopez, and Cheunjit Prakitchaiwattana. "Bioconversion of Mangosteen Pericarp Extract Juice with Bacterial Cellulose Production and Probiotic Integration: A Promising Approach for Functional Food Supplement Development." Food Bioscience (2024): 104549.

242) Dhobale, Kiran Vilas, and Lingaraj Sahoo. "Identification of mungbean yellow mosaic India virus and susceptibility-related metabolites in the apoplast of mung bean leaves." Plant Cell Reports 43, no. 7 (2024): 173.

241) Fernandes, Ana Isabel, Alexandre Jorge Pinto, Diogo Silvério, Ulrike Zedler, Carolina Ferreira, Iola F. Duarte, Ricardo Silvestre, Anca Dorhoi, and Margarida Saraiva. "Genetically diverse Mycobacterium tuberculosis isolates manipulate inflammasome activation and IL-1β secretion independently of macrophage metabolic rewiring." bioRxiv (2024): 2024-06.

240) Γαβρίλα, Ανδρομάχη. "Μελέτη του μεταβολώματος του zebrafish μετά την έκθεσή του στα βιοπολυμερή πολυ (3-υδροξυβουτυρικό οξύ) και πολυ (ηλεκτρικό βουτυλεστέρα)." Master's thesis, 2024.

239) Carvalho, Michelle S., Mauricio Luis Sforca, Silvana Aparecida Rocco, Danielle Zildeana Sousa Furtado, Cristiane da Silva Silverio, Marielle F. Queiroz Nunes, Marcel Vella Nunes et al. "Integration of proteinogenic amino acids in the pathogenesis of schizophrenia." Medicine Advances (2024).

238) Morselli, Sara, Camilla Ceccarani, Marielle Ezekielle Djusse, Luca Laghi, Tania Camboni, Clarissa Consolandi, Claudio Foschi, Marco Severgnini, and Antonella Marangoni. "Anti-chlamydial activity of vaginal fluids: new evidence from an in vitro model." Frontiers in Cellular and Infection Microbiology 14 (2024): 1403782.

237) Zhu, Chenglin, Yuxuan Zhao, Falong Yang, Qian Zhang, Xin Zhao, Zhibo Yang, Xiaofang Dao, and Luca Laghi. "Microbiome and metabolome analyses of milk and feces from dairy cows with healthy, subclinical, and clinical mastitis." Frontiers in Microbiology 15 (2024): 1374911.

236) Vieira, João PP, Dimitra Karampatsi, Ellen Vercalsteren, Vladimer Darsalia, Cesare Patrone, and Joao MN Duarte. "Nuclear magnetic resonance spectroscopy reveals biomarkers of stroke recovery in a mouse model of obesity-associated type 2 diabetes." Bioscience Reports (2024): BSR20240249.

235) Munley, Jennifer A., Gwoncheol Park, Lauren S. Kelly, Kolenkode B. Kannan, Robert T. Mankowski, Gemma Casadesus, Paramita Chakrabarty et al. "Persistence and Sexual Dimorphism of Gut Dysbiosis and Pathobiome after Sepsis and Trauma." Annals of Surgery: 10-1097.

234) Cabald, Tressy, Carine Marie-Magdeleine, Lucien Philibert, Cédric Caradeuc, Gildas Bertho, Nicolas Giraud, Gerardo Cebrián-Torrejón, and Muriel Sylvestre. "Phytochemical Study of the Anthelminthic Potential of Guadeloupean Plant Biodiversity." Pharmaceuticals 17, no. 6 (2024): 774.

233) Havlík, Doc Ing Jaroslav. "BSc. Alexandra Mižová Nutrition and Food." (2024).

232) Nam, Hoonsik, Doyeon Kim, Xing Jin, and Sunghyouk Park. "Metabolic determinants of leukemia onset variability in genetically homogeneous AKR mice." Biochemical and Biophysical Research Communications (2024): 150257.

231) Johnson, Hayden, and Aaryani Tipirneni-Sajja. "Explainable AI to Facilitate Understanding of Neural Network-Based Metabolite Profiling Using NMR Spectroscopy." Metabolites 14, no. 6 (2024): 332.

230) Goossens, Corentine, Vincent Tambay, Valérie-Ann Raymond, Louise Rousseau, Simon Turcotte, and Marc Bilodeau. "Impact of the delay in cryopreservation timing during biobanking procedures on human liver tissue metabolomics." PloS one 19, no. 6 (2024): e0304405.

229) Kaur, Simran, Poonam Kumari, Gurvinder Singh, Nainesh Joshi, Takdeer Kaur, Vandana Dhiman, Gurpal Singh et al. "Unveiling novel metabolic alterations in postmenopausal osteoporosis and type 2 diabetes mellitus through NMR-based metabolomics: A pioneering approach for identifying early diagnostic markers." Journal of Proteomics (2024): 105200.

228) Hill, Christopher J., Marie M. Phelan, Philip J. Dutton, Paula Busuulwa, Alison Maclean, Andrew S. Davison, Josephine A. Drury et al. "Diagnostic utility of clinicodemographic, biochemical and metabolite variables to identify viable pregnancies in a symptomatic cohort during early gestation." Scientific Reports 14, no. 1 (2024): 11172.

227) Bharadwaj, MR Sanjay, BR Hari Prasad, and Sachin R. Chaudhari. "Understanding the maturity of coconut water through 1H NMR profiling and MPAES analyses." Food Chemistry (2024): 139748.

226) Zampiga, Marco, Luca Laghi, Francesca Soglia, Raffaela Piscitelli, Jonathan Dayan, Massimiliano Petracci, Alessio Bonaldo, and Federico Sirri. "Partial substitution of soybean meal with microalgae meal (Arthrospira spp.–Spirulina) in grower and finisher diets for broiler chickens: implications on performance parameters, footpad dermatitis occurrence, breast meat quality traits, amino acid digestibility and plasma metabolomics profile." Poultry Science (2024): 103856.

225) Rangesh, Neel Mani, Arun Kumar Malaisamy, Nitesh Kumar, and Sanjay Kumar. "Analysis of the metabolic profile of humans naturally exposed to RF-EM radiation." Metabolomics 20, no. 3 (2024): 55.

224) Boakye, Yaw Duah. "Wound Healing Potential of Natural Products from Marine Environments."

223) Chung, Y.J., Hoare, Z., Baark, F., Yu, C.S., Guo, J., Fuller, W., Southworth, R., Katschinski, D.M., Murphy, M.P., Eykyn, T.R. and Shattock, M.J., 2024. Elevated Na is a dynamic and reversible modulator of mitochondrial metabolism in the heart. Nature Communications15(1), p.4277.

222) Kogan, Helen V., Shannon G. Macleod, Nicole C. Rondeau, Joanna Raup-Collado, Victoria A. Cordero, David Rovnyak, Corey A. Marshalleck, Meghna Mallapan, Melissa E. Flores, and Jonathan W. Snow. "Transcriptional control of a metabolic switch regulating cellular methylation reactions is part of a common response to stress in divergent bee species." Journal of Experimental Biology (2024): jeb-246894.

221) Wittmann, L., M. Eigenfeld, K. Büchner, J. Meiler, H. Habisch, T. Madl, R. Kerpes, T. Becker, S. Berensmeier, and S. P. Schwaminger. "Millifluidic magnetophoresis-based chip for age-specific fractionation: evaluating the impact of age on metabolomics and gene expression in yeast." Lab on a Chip (2024).

220) Ahn-Jarvis, Jennifer, Kendall R. Corbin, Suzanne C. Harris, Perla Rey, Peter Olupot-Olupot, Nuala Calder, Kevin Walsh, Kathryn Maitland, Gary Frost, and Frederick Warren. "Modelling the gut microbiota of children with malnutrition: in vitro models reveal differences in fermentability of widely consumed carbohydrates." bioRxiv (2024): 2024-05.

219) Chen, Yiyi, Laimdota Zizmare, Victor Calbiague, Lan Wang, Shirley Yu, Fritz W. Herberg, Oliver Schmachtenberg, Francois Paquet-Durand, and Christoph Trautwein. "Retinal metabolism displays evidence for uncoupling of glycolysis and oxidative phosphorylation via Cori-, Cahill-, and mini-Krebs-cycle." eLife 12 (2024): RP91141.

218) Aguilar, Morris. "“Omics of Disease”: Automation, Weaving, and Capturing." (2024).

217) Laue, Hannah E., Kevin S. Bonham, Modupe O. Coker, Yuka Moroishi, Wimal Pathmasiri, Susan McRitchie, Susan Sumner et al. "Prospective association of the infant gut microbiome with social behaviors in the ECHO consortium." Molecular Autism 15, no. 1 (2024): 1-12.

216) Hu, Yang, Molin Wang, Walter C. Willett, Meir Stampfer, Liming Liang, Frank B. Hu, Eric Rimm, Lorraine Brennan, and Qi Sun. "Calibration of citrus intake assessed by food frequency questionnaires using urinary proline betaine in an observational study setting." The American Journal of Clinical Nutrition (2024).

215) Forsberg, Jakob, Christian Tihic Rasmussen, Frans WJ van den Berg, Søren Balling Engelsen, and Violetta Aru. "Fermentation Analytical Technology (FAT): Monitoring industrial E. coli fermentations using absolute quantitative 1H NMR spectroscopy." Analytica Chimica Acta (2024): 342722.

214) Antonelli, Rita, Elena Ferrari, Mariana Gallo, Tecla Ciociola, Elena Calciolari, Alberto Spisni, Marco Meleti, and Thelma A. Pertinhez. "The Association between Salivary Metabolites and Gingival Bleeding Score in Healthy Subjects: A Pilot Study." International Journal of Molecular Sciences 25, no. 10 (2024): 5448.

213) Dasalkar, Akshay H., Maguluri Raj Kumar, Salony Raghunath Vaishnav, Sridevi Annapurna Singh, and Sudheer Kumar Yannam. "Impact of UV-C treatment on the inactivation of microbes and amino acid composition in cow milk and buffalo milk: A comparative study." International Dairy Journal (2024): 105979.

212) Su, Sen, Yong Zhang, Dan Wu, Chao Wang, Jianhong Hu, Yan Wei, and Xi Peng. "1H-nuclear magnetic resonance analysis reveals dynamic changes in the metabolic profile of patients with severe burns." Burns & Trauma 12 (2024): tkae007.

211) Perin, Nataša, Borka Lončar, Matej Kadić, Marijeta Kralj, Kristina Starčević, Rui A. Carvahlo, Ivana Jarak, and Marijana Hranjec. "Design, synthesis, antitumor activity and NMR‐based metabolomics of novel amino substituted tetracyclic imidazo [4, 5‐b] pyridine derivatives." ChemMedChem: e202300633.

210) Sapeta, Monika, Katarzyna Sołtys, Katarzyna Gębczak, Ewa Barg, and Piotr Młynarz. "Resistance of Hek-293 and Cos-7 Cell Lines to Oxidative Stress as a Model of Metabolic Response." Available at SSRN 4827674.

209) Kim, Hyun-Jun, Hye-Jin Kim, and Cheorun Jo. "A non-destructive predictive model for estimating the freshness/spoilage of packaged chicken meat using changes in drip metabolites." International Journal of Food Microbiology (2024): 110738.

208) Frusciante, Luisa, Michela Geminiani, Alfonso Trezza, Tommaso Olmastroni, Pierfrancesco Mastroeni, Laura Salvini, Stefania Lamponi et al. "Phytochemical Composition, Anti-Inflammatory Property, and Anti-Atopic Effect of Chaetomorpha linum Extract." Marine Drugs 22, no. 5 (2024): 226.

207) Colosimo, Raffaele, Hannah C. Harris, Jennifer Ahn-Jarvis, Perla Troncoso-Rey, Tim JA Finnigan, Pete J. Wilde, and Frederick J. Warren. "Colonic in vitro fermentation of mycoprotein promotes shifts in gut microbiota, with enrichment of."

206) Holčáková, Stanislava. "Fakulta agrobiologie, potravinových a přírodních zdrojů." (2024).

205) Polcaro, Luciana Maria, Marzieh Rahmani Samani, Sonia Piacente, and Milena Masullo. "Development of a New Extraction Method for Pomegranate and Metabolite Profiling by a LC-MS and 1H NMR Combined Approach." Foods 13, no. 10 (2024): 1429.

204) Rastogi, Shubham, Mohd Nazam Ansari, Abdulaziz S. Saeedan, Sachin Yadav, Dinesh Kumar, Sunil Kumar Singh, Alok Mukerjee, Manjari Singh, and Gaurav Kaithwas. "Novel carbamodithioate regulates cellular hypoxia through chemical activation of prolyl hydroxylase‐2 for breast cancer chemoprevention." Chemical Biology & Drug Design 103, no. 5 (2024): e14531.

203) Engelen, Jef, and Doc Ing Jaroslav Havlík. "Exploring the Interaction of Probiotic Bacteria and Honey Bee Gut Metabolome." (2024).

202) Chong, Siok-Geok, Intan Safinar Ismail, Chou-Min Chong, Nadiah Mad Nasir, and Nur Atikah Saleh Hodin. "1H NMR-metabolomics studies on acute toxicity effect of lead in adult zebrafish (Danio rerio) model." Drug and Chemical Toxicology (2024): 1-14.

201) Zhou, Yu, Xi Liu, Zhen Qi, Longhe Yang, Caihua Huang, and Donghai Lin. "Deciphering the Therapeutic Role of Lactate in Combating Disuse-Induced Muscle Atrophy: An NMR-Based Metabolomic Study in Mice." Molecules 29, no. 10 (2024): 2216.

200) GRAU, MARÍA MARTIN. "Longitudinal study of the development of Non-Alcoholic Fatty Liver disease (NAFLD). Key events and biomarker search."

199) Wang, Zhi-Fan, Yu-Lin You, Chun-Guo Yang, Yan-Li Zhang, Fei-Fei Li, Dong-Xiao Guo, Yong-Qiang Lin, Wei-Liang Cui, and Shu-Qi Wang. "Metabolomics analysis using matrix-assisted diffusion-ordered spectroscopy (DOSY) and its application in acrylamide-induced cardiovascular toxicity." Microchemical Journal (2024): 110707.

198) Nováková, Slavomíra, Eva Baranovičová, Zuzana Hatoková, Gábor Beke, Janka Pálešová, Romana Záhumenská, Bibiána Baďurová et al. "Comparison of Various Extraction Approaches for Optimized Preparation of Intracellular Metabolites from Human Mesenchymal Stem Cells and Fibroblasts for NMR-Based Study." Metabolites 14, no. 5 (2024): 268.

197) Hayward, Morgan W., Luca G. Mureddu, Gary Thompson, Marie Phelan, Edward J. Brooksbank, and Geerten W. Vuister. "The CcpNmr Analysis Simulated Metabolomics Database (CASMDB): An Open-Source Collection of Metabolite Annotation Data for 1D 1H NMR-Based Metabolomics." bioRxiv (2024): 2024-05.

196) Cirillo, Arianna. "Application of metabolomics to the evaluation of renal function in kidney transplantation." (2024).

195) Alothman, Afrah A. "Microbiome carbon production and flux in tropical and oligotrophic waters of the Red Sea." (2024).

194) Gallage, Suchira, Adnan Ali, Jose Efren Barragan Avila, Nogayhan Seymen, Pierluigi Ramadori, Vera Joerke, Laimdota Zizmare et al. "A 5: 2 intermittent fasting regimen ameliorates NASH and fibrosis and blunts HCC development via hepatic PPARα and PCK1." Cell Metabolism (2024).

193) Sabri, Nurul Elma. "Biochemical Pathway of Depressive Disorder Biomarkers in Human Urine Post Consumption of Phoenix dactylifera L. using 1H-NMR." Malaysian Journal of Applied Sciences 9, no. 1 (2024): 37-46.

192) Brough, India, Kelsey Thompson, Ciara Latore, Frank Penkava, Chelsea Regan, Claire Pearson, Hui Shi et al. "Elevated type-17 cytokines are present in Axial Spondyloarthritis stool." Discovery Immunology (2024): kyae005.

191) Roh, Yujeong, Jieun Kim, Heejin Song, Ayun Seol, Taeryeol Kim, Eunseo Park, Kiho Park et al. "Impact of the Oral Administration of Polystyrene Microplastics on Hepatic Lipid, Glucose, and Amino Acid Metabolism in C57BL/6Korl and C57BL/6-Lepem1hwl/Korl Mice." International Journal of Molecular Sciences 25, no. 9 (2024): 4964.

190) Kobi, Zainab Abdullahi, Rejoice Atiko, and Hamza Ahmed Pantami. "Metabolite Propile of Cassia occidentalis Leaves Extract Using Proton NMR (1H NMR) and LC-MS Molecular Network Analysis and its Antimicrobial Activity." BIMA JOURNAL OF SCIENCE AND TECHNOLOGY (2536-6041) 8, no. 1B (2024): 229-241.

189) Taoto, Chayakorn, Nareelak Tangsrisakda, Wipawee Thukhammee, Jutarop Phetcharaburanin, Sitthichai Iamsaard, and Nongnuj Tanphaichitr. "Rats Orally Administered with Ethyl Alcohol for a Prolonged Time Show Histopathology of the Epididymis and Seminal Vesicle Together with Changes in the Luminal Metabolite Composition." Biomedicines 12, no. 5 (2024): 1010.

188) Morselli, Sara. "New insights into vaginal environment during pregnancy: a multi-omics approach." (2024).

187) Součková, Bc Nikola. "Fakulta agrobiologie, potravinových a přírodních zdrojů." (2024).

186) Matias, Ingrid Fernanda Bernardes, Eduardo Solano Pina Santos, João Marcos Bovetto de Campos Valim, Alex Castro, Antônio Gilberto Ferreira, Luís Carlos Barbosa, Gabriel Henrique Ribeiro et al. "Preparation of ruminal fluid and serum samples from beef cattle for nuclear magnetic resonance based–metabolomics." New Zealand Journal of Agricultural Research (2024): 1-14.

185) Dudka, Ilona, Pernilla Wikstrom, Anders Bergh, and Gerhard Grobner. "Metabolic readouts of tumor instructed normal tissues (TINT) identify aggressive prostate cancer subgroups for tailored therapy." bioRxiv (2024): 2024-04.

184) Hameed, Rohil, Anam Naseer, Ankit Saxena, Mahmood Akbar, Pranoy Toppo, Arunabh Sarkar, Sanjeev K. Shukla, and Aamir Nazir. "Functional implications of NHR-210 enrichment in C. elegans cephalic sheath glia: insights into metabolic and mitochondrial disruptions in Parkinson's disease models." Cellular and Molecular Life Sciences 81, no. 1 (2024): 1-18.

183) Janthamala, Sutthiwan, Bundit Promraksa, Malinee Thanee, Kunyarat Duenngai, Apinya Jusakul, Sarinya Kongpetch, Ratthaphol Kraiklang et al. "Anticancer properties and metabolomic profiling of Shorea roxburghii extracts toward gastrointestinal cancer cell lines." BMC Complementary Medicine and Therapies 24, no. 1 (2024): 1-15.

182) 岸法磨. "十二指腸液中のメタボローム解析に基づいた膵胆道疾患の診断に関する研究." PhD diss., 北海道大学, 2024.

181) Mérida, Salvador, Amparo Návea, Carmen Desco, Bernardo Celda, Mercedes Pardo-Tendero, José Manuel Morales-Tatay, and Francisco Bosch-Morell. "Glutathione and a Pool of Metabolites Partly Related to Oxidative Stress Are Associated with Low and High Myopia in an Altered Bioenergetic Environment." Antioxidants 13, no. 5 (2024): 539.

180) Du, Qian, Ting Jiang, Qiuju Yuan, Yuanyuan Bai, Donghai Lin, and Donghui Liu. "NMR-Based Metabolomic Analysis of Plasma from elderly Patients with CVD before and after Using Contrast Media." Heliyon (2024): e30434.

179) Rahman, Ziaur, Hara Prasad Padhy, and Manoj P. Dandekar. "Cell-Free Supernatant of Lactobacillus rhamnosus and Bifidobacterium breve Ameliorates Ischemic Stroke-Generated Neurological Deficits in Rats." Probiotics and Antimicrobial Proteins (2024): 1-17.

178) Bock, Christian, Sandra Götze, Hans O. Pörtner, and Gisela Lannig. "Exploring the mechanisms behind swimming performance limits to ocean warming and acidification in the Atlantic king scallop, Pecten maximus." Frontiers in Ecology and Evolution 12 (2024): 1347160.

177) Razavi, S. Adeleh, Babak Khorsand, Pouya Salehipour, and Mehdi Hedayati. "Metabolite signature of human malignant thyroid tissue: A systematic review and meta‐analysis." Cancer Medicine 13, no. 8 (2024).

176) Boerkamp, Vincent JP, Scarlett D. Boras, Jean-Paul Vincken, John PM van Duynhoven, and Marie Hennebelle. "Influence of emulsifier on lipid oxidation in spray-dried microencapsulated O/W emulsions." Food Research International (2024): 114412.

175) Iobbi, Valeria, Valentina Parisi, Anna Paola Lanteri, Norbert Maggi, Mauro Giacomini, Giuliana Drava, Giovanni Minuto, Andrea Minuto, Nunziatina De Tommasi, and Angela Bisio. "NMR Metabolite Profiling for the Characterization of Vessalico Garlic Ecotype and Bioactivity against Xanthomonas campestris pv. campestris." Plants 13, no. 9 (2024): 1170.

174) Rasmussen, Jasmine Alida-May, William W. Bennett, Steve Melvin, Michael Sievers, Charlotte A. McAneney, Ainsley Leaning, and Rod M. Connolly. "Stuck in the Mangrove Mud: The Risk of Trace Element Exposure to Shore Crabs in Restored Urban Mangroves." Available at SSRN 4805436.

173) 岸法磨. "十二指腸液中のメタボローム解析に基づいた膵胆道疾患の診断に関する研究." PhD diss., 北海道大学, 2024.

172) Wilde, Jacob, Randy Boyes, Avery V. Robinson, Brendan A. Daisley, Alexander J. Botschner, Dylan JL Brettingham, Christine V. Macpherson, Elizabeth Mallory, and Emma Allen-Vercoe. "Assessing phage-host population dynamics by reintroducing virulent viruses to synthetic microbiomes." Cell Host & Microbe (2024).

171) Pilger, Bruna I., Alex Castro, Franciane F. Vasconcellos, Karen F. Moura, Étore De Favari Signini, Luis Felipe B. Marqueze, Edson A. Fiorenza‐Neto et al. "Obesity‐dependent molecular alterations in fatal COVID‐19: A retrospective postmortem study of metabolomic profile of adipose tissue." Journal of Cellular Biochemistry (2024).

170) Chiu, Chih-Yung, Ming-Chou Chiang, Meng-Han Chiang, Reyin Lien, Ren-Huei Fu, Kai-Hsiang Hsu, and Shih-Ming Chu. "Metabolomic Analysis Reveals the Association of Severe Bronchopulmonary Dysplasia with Gut Microbiota and Oxidative Response in Extremely Preterm Infants." Metabolites 14, no. 4 (2024): 219.

169) Chiu, Chih-Yung, Ming-Chou Chiang, Meng-Han Chiang, Reyin Lien, Ren-Huei Fu, Kai-Hsiang Hsu, and Shih-Ming Chu. "Metabolomic Analysis Reveals the Association of Severe Bronchopulmonary Dysplasia with Gut Microbiota and Oxidative Response in Extremely Preterm Infants." Metabolites 14, no. 4 (2024): 219.

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470) Mahmod, Ilya Iryani, Intan Safinar Ismail, Yahaya M. Normi, and Siok‐Geok Chong. "Protective effect of Clinacanthus nutans in cisplatin‐induced nephrotoxicity on human kidney cell (PCS‐400‐010) elucidated by an LCMS‐based metabolomics approach." Biomedical Chromatography (2023): e5750.

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462) Mahiran, Siti Nur Syahirah Nor, Nurul Huda Abd Kadir, Maulidiani Maulidiani, Tengku Rozaina Tengku Mohamad, Nigel J. Gooderham, and Mahboob Alam. "Multivariate modelling analysis for prediction of glycidyl esters and 3-monochloropropane-1, 2-diol (3-MCPD) formation in periodically heated palm oil." Heliyon (2023).

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458) Ahmed, Shanzay, Christopher B. Mahony, Alyssa Torres, Jessica Murillo-Saich, Samuel Kemble, Martha Cedeno, Peter John, Attya Bhatti, Adam P. Croft, and Monica Guma. "Dual inhibition of glycolysis and glutaminolysis for synergistic therapy of rheumatoid arthritis." Arthritis Research & Therapy 25, no. 1 (2023): 1-15.

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Harvard

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451) Denchai, Suwanan, Suppached Sasomsin, Cheunjit Prakitchaiwattana, Thanitaporn Phuenpong, Kunaporn Homyog, Wanwimon Mekboonsonglarp, and Sarn Settachaimongkon. "Influence of Different Types, Utilization Times, and Volumes of Aging Barrels on the Metabolite Profile of Red Wine Revealed by 1H-NMR Metabolomics Approach." Molecules 28, no. 18 (2023): 6716.

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Harvard

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58) Bacil, Gabriel P., Guilherme R. Romualdo, Priscila MFD Piagge, Daniel R. Cardoso, Mathieu Vinken, Bruno Cogliati, and Luís F. Barbisan. "Unraveling Hepatic Metabolomic Profiles and Morphological Outcomes in a Hybrid Model of NASH in Different Mouse Strains." Antioxidants 12, no. 2 (2023): 290.

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47) Lan, Wenning, Xiaojing Zhang, Junhao Lin, Xiaolian Xiao, Junkun Chen, Shiying Sun, Guanlan Hong, Jingjing Nian, and Yun Zhang. "Physiochemical Responses of C. Elegans Under Exposure to Lanthanum and Cerium Affected by Bacterial Metabolism." Elegans Under Exposure to Lanthanum and Cerium Affected by Bacterial Metabolism.

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45) Liu, Yanan, Miaomiao Chen, Xiaoquan Mu, Xinru Wang, Menghan Zhang, Yue Yin, and Kun Wang. "Responses and Detoxification Mechanisms of Earthworm Amynthas Hupeiensis to Metal Contaminated Soils of North China." Available at SSRN 4325888.

44) Cormier, Matt. "Characterization of natural anti-FVIII antibodies and the regulatory role of the gut microbiota in FVIII immunogenicity." PhD diss., 2023.

43) Cheney, Alexandra M., Stephanann M. Costello, Nicholas V. Pinkham, Annie Waldum, Susan C. Broadaway, Maria Cotrina-Vidal, Marc Mergy et al. "Gut microbiome dysbiosis drives metabolic dysfunction in Familial dysautonomia." Nature Communications 14, no. 1 (2023): 1-12.

42) Ramappa, Venkatesh Kumar, Vandana Singh, Devika Srivastava, Devarsh Kumar, Anshika Verma, Darshika Verma, Eram Fatima, Priyanka Chaudhary, Umesh Kumar, and Dinesh Kumar. "Fabrication of mulberry leaf extract (MLE)-and tasar pupal oil (TPO)-loaded silk fibroin (SF) hydrogels and their antimicrobial properties." 3 Biotech 13, no. 2 (2023): 1-19.

41) Wee, Sze Ping, Khye Er Loh, Kok Wai Lam, and Intan Safinar Ismail. "A Study of the Interaction between Xanthine Oxidase and Its Inhibitors from Chrysanthemum morifolium Using Computational Simulation and Multispectroscopic Methods." Metabolites 13, no. 1 (2023): 113.

40) Chung, Yi-Hsiu, Tsai-Hsien Hung, Ching-Fang Yu, Cheng-Kun Tsai, Chi-Chang Weng, Fujie Jhang, Fang-Hsin Chen, and Gigin Lin. "Glycolytic Plasticity of Metastatic Lung Cancer Captured by Noninvasive 18F-FDG PET/CT and Serum 1H-NMR Analysis: An Orthotopic Murine Model Study." Metabolites 13, no. 1 (2023): 110.

39) Cheon, Seongwon, Geonhee Kim, Jae-Han Bae, Dong Hyeon Lee, Hyunbin Seong, Hye Da Kim, Jung-Sook Han, Su-Youn Lim, and Nam Soo Han. "Comparative analysis of prebiotic effects of four oligosaccharides using in vitro gut model: digestibility, microbiome, and metabolome changes." FEMS Microbiology Ecology (2023).

38) Rodríguez-Hernández, Aida Araceli, Maricela Herrera-Alvarez, Diego Helman Zapata-Sarmiento, Elvia Becerra-Martínez, Mario Rodríguez-Monroy, and Gabriela Sepúlveda-Jiménez. "Trichoderma asperellum promotes the development and antioxidant activity of white onion (Allium cepa L.) plants." Horticulture, Environment, and Biotechnology (2023): 1-15.

37) Martínez-Nicolás, Juan José, Francisca Hernández, Dámaris Núñez-Gómez, Francisco García-Sánchez, Rafael Martínez-Font, Pilar Legua, and Pablo Melgarejo. "Metabolomic Approach to Study the ‘Purple Queen’Pomegranate Cultivar Response to Alternative Culture Media and Phenological Stages." Foods 12, no. 2 (2023): 352.

36) Pinto, Bruna Cristina, Adriana Barboza Alves, Osania Emerenciano Ferreira, Gustavo Henrique Gravatim Costa, Magno André de Oliveira, Augusto Cesar da Silva Bezerra, and Alan Rodrigues Teixeira Machado. "Biochar influences the cane fields’ microbiota and the development of pre-sprouted sugarcane seedlings." Waste Disposal & Sustainable Energy (2023): 1-14.

35) Mráziková, Lucia, Silvie Hojná, Petra Vaculová, Štěpán Strnad, Vladimír Vrkoslav, Helena Pelantová, Marek Kuzma, Blanka Železná, Jaroslav Kuneš, and Lenka Maletínská. "Lipidized PrRP Analog Exhibits Strong Anti-Obesity and Antidiabetic Properties in Old WKY Rats with Obesity and Glucose Intolerance." Nutrients 15, no. 2 (2023): 280.

34) Miebach, Lea, Hager Mohamed, Kristian Wende, Vandana Miller, and Sander Bekeschus. "Pancreatic Cancer Cells Undergo Immunogenic Cell Death upon Exposure to Gas Plasma-Oxidized Ringers Lactate." Cancers 15, no. 1 (2023): 319.

33) Lai, Giacomo, Pierluigi Caboni, Cristina Piras, Massimo Pes, Maria Sitzia, Margherita Addis, Antonio Pirisi, and Paola Scano. "Development and Chemico-Physical Characterization of Ovine Milk-Based Ingredients for Infant Formulae." Applied Sciences 13, no. 1 (2023): 653.

32) Tiepo, Angelica N., Isabel D. Coutinho, Guilherme O. Machado, Halley C. Oliveira, José Antonio Pimenta, Liliane Marcia M. Henning, Luiz Alberto Colnago, and Renata Stolf-Moreira. "Phenolic Compounds from Leaves of Cariniana estrellensis (Raddi) Kuntze (Lecythidaceae): A Brazilian Atlantic Forest Tree." Journal of the Brazilian Chemical Society 34 (2023): 146-152.

31) Palomares, Cristofher Victor Vivas, Yan Borges Barreto, Natalia Marchesan Bexiga, Sergio Hiroshi Toma, Jonnatan Julival dos Santos, Koiti Araki, Adriano Mesquita Alencar, and Antonio Carlos Bloise. "Metabolic Profiling of Murine Macrophages Exposed to Silver Nanoparticles at Dose and Time Dependencies." Particle & Particle Systems Characterization: 2200191.

30) McCauley, Heather A., Anne Marie Riedman, Jacob R. Enriquez, Xinghao Zhang, Miki Watanabe-Chailland, J. Guillermo Sanchez, Daniel O. Kechele et al. "Enteroendocrine cells protect the stem cell niche by regulating crypt metabolism in response to nutrients." Cellular and Molecular Gastroenterology and Hepatology (2023).

29) Sun, Jialin, Sivan Osenberg, Austin Irwin, Li-Hua Ma, Nigel Lee, Yangfei Xiang, Feng Li et al. "Mutations in the transcriptional regulator MeCP2 severely impact key cellular and molecular signatures of human astrocytes during maturation." Cell Reports 42, no. 1 (2023): 111942.

28) Bouhajeb, Rim, Ana Cristina Abreu, Salima Selmi, Christoph Gerke, Ahlem Bellalah, Alexis Alvear-Jiménez, Laura Lozano Chamizo et al. "Implantable Electrospun Nanofibers with Wound-Healing Capabilities in the Reduction of Pressure Ulcers." ACS Applied Polymer Materials (2023).

27) Ganesan, Raja, Sang Jun Yoon, and Ki Tae Suk. "Microbiome and Metabolomics in Liver Cancer: Scientific Technology." International Journal of Molecular Sciences 24, no. 1 (2023): 537.

26) Zhang, Huan, Eric C. Johnson, Anne Carroll, Cecily Pryor, Kenneth Howe, Ryan Kramer, Naik Rajesh et al. "Profiling bourbons based on congener concentrations." Journal of Food Composition and Analysis 115 (2023): 105019.

25) Laketic, Katarina, Sophie Lalonde-Bester, Kim Smyth, Donna M. Slater, Suzanne C. Tough, Hiroaki Ishida, Hans J. Vogel, Gerald F. Giesbrecht, Chunlong Mu, and Jane Shearer. "Maternal Metabolites Indicative of Mental Health Status during Pregnancy." Metabolites 13, no. 1 (2023): 24.

24) Ruiz-Rico, María, Simone Renwick, Sarah J. Vancuren, Avery V. Robinson, Connor Gianetto-Hill, Emma Allen-Vercoe, and José M. Barat. "Impact of food preservatives based on immobilized phenolic compounds on an in vitro model of human gut microbiota." Food Chemistry 403 (2023): 134363.

23) Tripathi, Shweta, Manikyaprabhu Kairamkonda, Payal Gupta, and Krishna Mohan Poluri. "Dissecting the molecular mechanisms of producing biofuel and value-added products by cadmium tolerant microalgae as sustainable biorefinery approach." Chemical Engineering Journal 454 (2023): 140068.

22) Han, Dong Min, Ju Hye Baek, Byung Hee Chun, and Che Ok Jeon. "Fermentative features of Bacillus velezensis and Leuconostoc mesenteroides in doenjang-meju, a Korean traditional fermented soybean brick." Food Microbiology 110 (2023): 104186.

21) Baek, Ju Hye, Kyung Hyun Kim, Dong Min Han, Se Hee Lee, and Che Ok Jeon. "Effects of glutinous rice paste and fish sauce on kimchi fermentation." LWT 173 (2023): 114253.

20) Pereira, Tayla CS, Alzenir R. Souza, Paula B. Daltro, Maria GA Carosio, Antonio G. Ferreira, Regina V. Oliveira, Vitor Fortuna, and Paulo R. Ribeiro. "Blood plasma and bone marrow interstitial fluid metabolomics of sickle cell disease patients with osteonecrosis: An exploratory study to dissect biochemical alterations." Clinica Chimica Acta 539 (2023): 18-25.

19) Jiang, Lin, and Bo Wang. "Metabolomics study on southern hard clams (Mercenaria campechiensis) response to diclofenac exposure." Environmental Science: Advances (2023).

18) Bragulat, Ana P. Flores, Isabel Ortiz, Jaime Catalán, Jesus Dorado, Manuel Hidalgo, Luis Losinno, Marta Dordas-Perpinyà et al. "Time-lapse imaging and developmental competence of donkey eggs after ICSI: Effect of preovulatory follicular fluid during oocyte in vitro maturation." Theriogenology 195 (2023): 199-208.

17) Canella, Rita, Federica Brugnoli, Mariana Gallo, Jeffrey W. Keillor, Anna Terrazzan, Elena Ferrari, Silvia Grassilli et al. "A Multidisciplinary Approach Establishes a Link between Transglutaminase 2 and the Kv10. 1 Voltage-Dependent K+ Channel in Breast Cancer." Cancers 15, no. 1 (2023): 178.

16) Lee, Sheng-Han, Zhi-Yi Du, Wei-Chen Tseng, Wan-Yu Lin, Mei-Huei Chen, Ching-Chun Lin, Hao-Jan Liang et al. "Identification of serum metabolic signatures of environmental-leveled phthalate in the Taiwanese child population using NMR-based metabolomics." Environmental Pollution 316 (2023): 120454.

15) Yim, Dong-Gyun, Hyun Jun Kim, Sung-Su Kim, Hag Ju Lee, Jae-Kyung Kim, and Cheorun Jo. "Effects of different X-ray irradiation doses on quality traits and metabolites of marinated ground beef during storage." Radiation Physics and Chemistry 202 (2023): 110563.

14) Kunc, Martin, Pavel Dobeš, Rachel Ward, Saetbyeol Lee, Radim Čegan, Silvie Dostálková, Kateřina Holušová et al. "Omics-based analysis of honey bee (Apis mellifera) response to Varroa sp. parasitisation and associated factors reveals changes impairing winter bee generation." Insect Biochemistry and Molecular Biology 152 (2023): 103877.

13) Zakaria, Fauziahanim, Muhammad Tayyab Akhtar, Wan Ibrahim Wan Norhamidah, Abu Bakar Noraini, Azira Muhamad, Shamarina Shohaimi, Hafandi Ahmad, Intan Safinar Ismail, Nor Hadiani Ismail, and Khozirah Shaari. "Centella asiatica (L.) Urb. Extract ameliorates branched-chain amino acid (BCAA) metabolism in acute reserpine-induced stress zebrafish model via 1H Nuclear Magnetic Resonance (NMR)-based metabolomics approach." Comparative Biochemistry and Physiology Part C: Toxicology & Pharmacology 264 (2023): 109501.

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8) He, Ying, Bang Cheng, Bing-Jian Guo, Zheng Huang, Jing-Hua Qin, Qian-Yi Wang, Lin-Lin Feng et al. "Metabonomics and 16S rRNA gene sequencing to study the therapeutic mechanism of Danggui Sini decoction on collagen-induced rheumatoid arthritis rats with Cold Bi syndrome." Journal of Pharmaceutical and Biomedical Analysis 222 (2023): 115109.

7) Verlander, Jill W., Hyun-Wook Lee, Susan M. Wall, Autumn N. Harris, and I. David Weiner. "The proximal tubule through an NBCe1-dependent mechanism regulates collecting duct phenotypic and remodeling responses to acidosis." American Journal of Physiology-Renal Physiology 324, no. 1 (2023): F12-F29.

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1) Huang, Feng, Tong Zhang, Bin Li, Shaosong Wang, Chang Xu, Caihua Huang, and Donghai Lin. "NMR-based metabolomic analysis for the effects of moxibustion on imiquimod-induced psoriatic mice." Journal of Ethnopharmacology 300 (2023): 115626.

Case Studies

The case studies below showcase various studies that were performed using Chenomx technology and services.

 

Analyzing the Metabolic Effects of Acetaminophen

 

Developing Biomarkers for Adverse Drug Responses

 

Pathways From Serological Metabolite Profiles

Acetaminophen is the most common identifiable cause of acute liver failure, and is an excellent model compound for studying liver toxicity. Acetaminophen toxicity has thus become a very active area of research. Identifying and quantifying metabolites associated with acetaminophen toxicity is an integral part of this research, and Chenomx is uniquely equipped to extract this information from biofluid samples.

Drug-induced liver injury is the leading reason that drug candidates fail. Identifying a suite of toxicity biomarkers for use in preclinical screening of drug candidates will allow drugs with harmful side effects to be identified earlier. Biomarkers that can be used to monitor or stage diseases will also offer insight into the net metabolic effect of a drug and can provide information for developing new drugs or adjusting treatment. Chenomx software offers powerful tools to aid in identifying these biomarkers.

Metabolomic data sets obtained using Chenomx NMR Suite often require additional analysis to place them in proper context. The GeneGo pathway analysis platform can help establish this context. In this note, we present an example analysis using serological metabolic profiles from Chenomx NMR Suite, known inflammatory markers from prior studies of the K/BxN mouse model and the GeneGo platform to generate a mechanistic hypothesis for the K/BxN mouse model.

Application Notes

Methods

Accurate CSI Quantification for Targeted Profiling

Accurately quantifying metabolites using targeted profiling in Chenomx NMR Suite requires using a chemical shape and shift indicator (CSI) of known concentration. As a result, the accuracy of the CSI concentration has a significant influence on quantification accuracy using this technique. Measuring ratios of the CSI peak area with that of a second, commercially available standard under optimal acquisition conditions offers a simple method of accurately measuring the concentration of the CSI.

 Optimizing Spectra for Metabolomics

Chenomx Processor allows you to work with NMR spectra from a variety of sources, helping you apply phasing and baseline correction through manual and semi-automated tools, and offering advanced lineshape correction through reference deconvolution. Processor also allows you to define chemical shape indicator (CSI) parameters and determine sample pH via indicator compounds. These are necessary prerequisites to analyzing your spectra with Chenomx Profiler.

Sample Types

Targeted Profiling of Common Metabolites in Saliva

Saliva is an excellent biofluid for analysis by targeted profiling. It is easily collected by individuals with minimal training, using noninvasive techniques. Targeted profiling of saliva samples can provide identification and quantification of many of the small molecule metabolites commonly found in saliva, and may allow the development of simple screening procedures for a variety of diseases. In this note we present a list of common metabolites found in human saliva, and techniques for targeted profiling of saliva spectra with Chenomx NMR Suite.

Metabolites in Blood Serum and Plasma

Blood serum and plasma are biofluids that are increasingly important in NMR-based metabolomics analysis. In this note we discuss several approaches to the analysis of serum using Chenomx NMR Suite, focusing on relaxation-edited NMR (CPMG) and physical separation of protein and metabolites using ultrafiltration. The CPMG method is simpler to apply, but the spectra are easier to analyze when protein is removed from a sample.

 

Targeted Profiling of Common Metabolites in Urine

Urine is a readily-collected, information-rich biofluid that can provide insight into the metabolic state of an organism. As a result, urine is often a focus in metabolomics investigations using NMR and MRI spectroscopy, in both diagnostic and monitoring applications. Targeted profiling is a powerful tool that can drive such studies, providing direct identification and quantification of a variety of metabolites. In this note we present a list of common metabolites found in many NMR spectra of human urine and several strategies for approaching targeted profiling of such spectra with Chenomx NMR Suite.

 

Identifying Metabolites in Biofluids

In this note we present a rapid, efficient method for identifying metabolites in biofluid NMR spectra using targeted profiling. Conventional techniques for identifying and quantifying metabolites in such spectra are labor-intensive and error-prone, as positions and linewidths of peaks can vary widely with changes in pH and other solution matrix effects. The length of time and level of operator skill needed to analyze large numbers of these complex spectra are significant barriers to the widespread application of NMR in metabolomics.

Statistical Analysis

Statistical Analysis of Targeted Profiling Data

Analysis of 1H NMR spectra in metabolomics studies often requires multivariate pattern recognition techniques to extract meaningful results. Targeted profiling offers the ability to analyze spectra based directly on the identity and quantities of individual compounds. Profiles created using targeted profiling in Chenomx NMR Suite can be used as input in statistical software packages such as Umetrics SIMCA-P. Performing PCA on Chenomx targeted profiles yields information-rich results that allow rapid biological interpretation, since group separation can be directly correlated to variations in specific metabolite concentrations.

Correcting Lineshapes in NMR Spectra

In this note we present a method for removing lineshape distortions from nuclear magnetic resonance (NMR) spectra prior to more detailed analysis. Reference deconvolution is a method of reconstructing an ideal spectrum by removing lineshape distortions caused by field inhomogeneity. Applying reference deconvolution has been found to improve the quality of fit of a spectrum using targeted profiling in Chenomx NMR Suite. However, successful application of reference deconvolution to a spectrum requires some preprocessing and the presence of an appropriate reference peak.

 

Statistical Analysis of Spectral Binning Data

Analysis of 1H NMR spectra in metabolomics studies often requires multivariate pattern recognition techniques to extract meaningful results. Spectral binning is an effective data reduction technique commonly used to prepare spectra for multivariate analysis. Spectral binning output from the Profiler module of Chenomx NMR Suite can readily be analyzed with multivariate analysis software packages like Umetrics SIMCA-P.