Publications

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Propylene Glycol in Free-Ranging Green Sea Turtle Plasma

Niemuth J N, Harms C A, Macdonald J M, et al. 351-361. Journal of Fish and Wildlife Management

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1) He B, Diao W, Han M, et al. Quantitative 1H-Nuclear Magnetic Resonance (NMR) Metabolomics Differentiates Patients with and Without Emphysema[M]//C34. COPD POTPOURRI. American Thoracic Society, 2018: A4767-A4767.

2) Cassiède M, Mercier P, Shipley P R, et al. Comparison of computational approaches for identification and quantification of urinary metabolites in 1 H NMR spectra[J]. Analytical Methods, 2018, 10(18): 2129-2137.

3) Murovec B, Makuc D, Repinc S K, et al. 1 H NMR metabolomics of microbial metabolites in the four MW agricultural biogas plant reactors: A case study of inhibition mirroring the acute rumen acidosis symptoms[J]. Journal of environmental management, 2018, 222: 428-435.

4) Rebelein A, Pörtner H O, Bock C. Untargeted metabolic profiling reveals distinct patterns of thermal sensitivity in two related notothenioids[J]. Comparative Biochemistry and Physiology Part A: Molecular & Integrative Physiology, 2018, 217: 43-54.

5) Zawadzki A, Alloo C, Grossi A B, et al. Effect of hop β-acids as dietary supplement for broiler chickens on meat composition and redox stability[J]. Food Research International, 2018, 105: 210-220.

6) McGuire J L, DePasquale E A K, Watanabe M, et al. Chronic Dysregulation of Cortical and Subcortical Metabolism After Experimental Traumatic Brain Injury[J]. Molecular Neurobiology, 2018: 1-14.

7) Liu J, Han B, Deng S, et al. Changes in proteases and chemical compounds in the exterior and interior of sufu, a Chinese fermented soybean food, during manufacture[J]. LWT-Food Science and Technology, 2018, 87: 210-216.

8) Hajirezaee S, Khara H, Abed‐Elmdoust A, et al. Effects of egg aging on the metabolites of ovarian fluid in rainbow trout, Oncorhynchus mykiss[J]. Aquaculture Research, 2018, 49(1): 104-110.

9) Madrid-Gambin F, Brunius C, Garcia-Aloy M, et al. Untargeted 1H-NMR based metabolomics analysis of urine and serum profiles after consumption of lentils, chickpeas and beans: an extended meal study to discover dietary biomarkers of pulses[J]. Journal of Agricultural and Food Chemistry, 2018.

10) Pintus M C, Lussu M, Dessì A, et al. Urinary 1H-NMR Metabolomics in the First Week of Life Can Anticipate BPD Diagnosis[J]. Oxidative medicine and cellular longevity, 2018, 2018.

11) Bai J, Zhu Y, Dong Y. Modulation of gut microbiota and gut-generated metabolites by bitter melon results in improvement in the metabolic status in high fat diet-induced obese rats[J]. Journal of Functional Foods, 2018, 41: 127-134.

12) Hajirezaee S, Mirvaghefi A R, Farahmand H, et al. A
metabolic approach to understanding adaptation to sea water by endangered Persian sturgeon, Acipenser persicus fingerlings[J].
Aquaculture Research, 2018, 49(1): 341-351.

13) Le Gresley A, Peron J M R. A semi-automatic approach to the characterisation of dark chocolate by Nuclear Magnetic Resonance and multivariate analysis[J]. Food Chemistry, 2018.

14) Misra R, Dubey D, Ahmed S, et al. AB0144 Nmr based serum and synovial fluid metabolomics reveal similar metabolomic profile in patients with reactive arthritis and undifferentiated spondyloarthropathy[J]. 2018.

15) Wang L, Liu Z, Chen Z, et al. Metabonomic analysis of the therapeutic effect of exendin-4 for the treatment of tBHP-induced injury in mouse glomerulus mesangial cells[J]. Free radical research, 2018, 52(5): 544-555.

16) Xiao Z, Luo Y, Wang G, et al. 1H NMR‐based water‐soluble lower molecule characterization and fatty acid composition of boiled Wuding chicken during processing[J]. Journal of the Science of Food and Agriculture, 2018.

17) Pramai P, Hamid N A A, Mediani A, et al. Metabolite profiling, antioxidant, and α-glucosidase inhibitory activities of germinated rice: nuclear-magnetic-resonance-based metabolomics study[J]. journal of food and drug analysis, 2018, 26(1): 47-57.

18) Cappello T, Giannetto A, Parrino V, et al. Food safety using NMR-based metabolomics: Assessment of the Atlantic bluefin tuna, Thunnus thynnus, from the Mediterranean Sea[J]. Food and Chemical Toxicology, 2018, 115: 391-397.

19) Titma T, Günther U, Ludwig C, et al. The metabolic pattern could be used for early detection of stable ischemic heart disease and hypertensive heart disease[J]. Revue d'Épidémiologie et de Santé Publique, 2018, 66: S328.

20) Li H, Chu S, Zhao H, et al. Effect of Zishen Jiangtang Pill, a Chinese Herbal Product, on Rats with Diabetic Osteoporosis[J]. Evidence-Based Complementary and Alternative Medicine, 2018, 2018.

21) Andersson-Hall U, Gustavsson C, Pedersen A, et al. Higher Concentrations of BCAAs and 3-HIB Are Associated with Insulin Resistance in the Transition from Gestational Diabetes to Type 2 Diabetes[J]. Journal of Diabetes Research, 2018, 2018.

22) Elsherif L, Pathmasiri W, McRitchie S, et al. Plasma metabolomics analysis in sickle cell disease patients with albuminuria–an exploratory study[J]. British journal of haematology, 2018.

23) Stryeck S, Horvath A, Leber B, et al. NMR spectroscopy enables simultaneous quantification of carbohydrates for diagnosis of intestinal and gastric permeability[J]. Scientific reports, 2018, 8(1): 14650.

24) Armbruster M, Rist M, Seifert S, et al. Metabolite profiles evaluated, according to sex, do not predict resting energy expenditure and lean body mass in healthy non-obese subjects[J]. European journal of nutrition, 2018: 1-11.

25) Shommu N S, Jenne C N, Blackwood J, et al. Metabolomic and inflammatory mediator based biomarker profiling as a potential novel method to aid pediatric appendicitis identification[J]. PloS one, 2018, 13(3): e0193563.

26) Jeong T Y, Yoon D, Kim S, et al. Mode of action characterization for adverse effect of propranolol in Daphnia magna based on behavior and physiology monitoring and metabolite profiling[J]. Environmental Pollution, 2018, 233: 99-108.

27) Jena P K, Sheng L, Nagar N, et al. The effect of synbiotics Bifidobacterium infantis and milk oligosaccharides on shaping gut microbiota community structure and NASH treatment[J]. Data in brief, 2018.

28) Dubey D, Chaurasia S, Guleria A, et al. Metabolite assignment of Ultra‐Filtered Synovial Fluid extracted from knee joints of Reactive Arthritis patients using High Resolution NMR spectroscopy[J]. Magnetic Resonance in Chemistry, 2018.

29) Zhang J, Wang G, Zhao C, et al. 1H NMR plasma metabolomic profiling of ovarian quiescence in energy balanced postpartum dairy cows[J].. Veterinary Quarterly, 2018 (just-accepted): 1-10

30) Kim T T, Parajuli N, Sung M M, et al. Fecal transplant from resveratrol-fed donors improves glycaemia and cardiovascular features of the metabolic syndrome in mice[J]. American Journal of Physiology-Endocrinology and Metabolism, 2018.

31) Johnson-Weaver B T, McRitchie S, Mercier K A, et al. Effect of endotoxin and alum adjuvant vaccine on peanut allergy[J]. Journal of Allergy and Clinical Immunology, 2018, 141(2): 791-794. e8.

32) Kortesniemi M, Rosenvald S, Laaksonen O, et al. Sensory and chemical profiles of Finnish honeys of different botanical origins and consumer preferences[J]. Food chemistry, 2018, 246: 351-359.

33) Reardon P N, Walter E D, Marean-Reardon C L, et al. Carbohydrates protect protein against abiotic fragmentation by soil minerals[J]. Scientific reports, 2018, 8(1): 813.

34) Michálková L, Horník Š, Sýkora J, et al. Diagnosis of pancreatic cancer via 1H NMR metabolomics of human plasma[J]. Analyst, 2018.

35) Yen S, Bolte E, Aucoin M, et al. Metabonomic Evaluation of Fecal Water Preparation Methods: The Effects of Ultracentrifugation[J]. Current Metabolomics, 2018, 6(1): 57-63.

36) Kostidis S. Quantitative Analysis of Central Energy Metabolism in Cell Culture Samples[M]//Clinical Metabolomics. Humana Press, New York, NY, 2018: 329-342.

37) Jafari T, Alanne A L, Issakainen J, et al. Suitability of dried herbarium specimens for NMR metabolomics of mushrooms. A comparison of four species of the genera Kuehneromyces and Hypholoma (Strophariaceae)[J]. Fungal biology, 2018, 122(2-3): 138-146.

38) Soundararajan M, Swamy G S, Gaonkar S K, et al. Influence of triacontanol and jasmonic acid on metabolomics during early stages of root induction in cultured tissue of tomato (Lycopersicon esculentum)[J]. Plant Cell, Tissue and Organ Culture (PCTOC), 2018, 133(1): 147-157.

39) Mumtaz M W, Al-Zuaidy M H, Abdul Hamid A, et al. Metabolite profiling and inhibitory properties of leaf extracts of Ficus benjamina towards α-glucosidase and α-amylase[J]. International Journal of Food Properties, 2018, 21(1): 1560-1574.

40) Sun Y, Kim J H, Vangipuram K, et al. Pharmacometabolomics reveals a role for histidine, phenylalanine, and threonine in the development of paclitaxel-induced peripheral neuropathy[J]. Breast cancer research and treatment, 2018, 171(3): 657-666.

41) Kostidis S, Bank J R, Soonawala D, et al. Urinary metabolites predict prolonged duration of delayed graft function in DCD kidney transplant recipients[J]. American Journal of Transplantation, 2018.

42) Luthra G, Vuckovic I, Bangdiwala A, et al. First and second trimester urinary metabolic profiles and fetal growth restriction: an exploratory nested case-control study within the infant development and environment study[J]. BMC pregnancy and childbirth, 2018, 18(1): 48.

43) Schmedes M, Bendtsen L Q, Gomes S, et al. The effect of casein, hydrolyzed casein, and whey proteins on urinary and postprandial plasma metabolites in overweight and moderately obese human subjects[J]. Journal of the Science of Food and Agriculture, 2018.

44) Pertinhez T A, Casali E, Zambianchi L, et al. Statistical validation of 1H NMR protocol vs standard biochemical assay in quality control of RBC packed units[J]. Journal of pharmaceutical and biomedical analysis, 2018, 147: 485-492.

45) Oh J, Yoon D H, Han J G, et al. 1H NMR based metabolite profiling for optimizing the ethanol extraction of Wolfiporia cocos[J]. Saudi Journal of Biological Sciences, 2018.

46) Ryu S H, Kim J W, Yoon D, et al. Serum and urine toxicometabolomics following gentamicin-induced nephrotoxicity in male Sprague-Dawley rats[J]. Journal of Toxicology and Environmental Health, Part A, 2018, 81(11): 408-420.

47) Sriram R, Nguyen J, Santos J D L, et al. Molecular detection of inflammation in cell models using hyperpolarized 13C-pyruvate[J]. Theranostics, 2018, 8(12): 3400.

48) Kellingray L, Le Gall G *, Defernez M, Beales ILP, Franslem-Elumogo N, Narbad A. (2018) Microbial taxonomic and metabolic alterations during faecal microbiota transplantation to treat Clostridium difficile infection. J. Clin. Infection. 77 107-118 * authors contributed equally

49) Foschi C, Laghi L, D’Antuono A, et al. Urine metabolome in women with Chlamydia trachomatis infection[J]. PloS one, 2018, 13(3): e0194827.

50) Shi Y, Xu X, Chen J, et al. Antioxidant gene expression and metabolic responses of earthworms (Eisenia fetida) after exposure to various concentrations of hexabromocyclododecane[J]. Environmental Pollution, 2018, 232: 245-251.

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51) Goudet G, Nadal-Desbarats L, Douet C, et al. Salivary and urinary metabolome analysis for pre-puberty-related biomarkers identification in porcine[J]. animal, 2018: 1-11.

52) Liu Z. Metabolic characterization of peripheral host responses to drainage-resistant Klebsiella pneumoniae liver abscesses by serum 1H-NMR spectroscopy[J]. Frontiers in cellular and infection microbiology, 2018, 8: 174.

53) Adamko D J, Khamis M M, Steacy L M, et al. Severity of allergic rhinitis assessed by using urine metabolomic profiling: Proof of concept[J]. Journal of Allergy and Clinical Immunology, 2018.

54) García-Villaescusa A, Morales-Tatay J M, Monleón-Salvadó D, et al. Using NMR in saliva to identify possible biomarkers of glioblastoma and chronic periodontitis[J]. PloS one, 2018, 13(2): e0188710.

55) Kim N H, Hyeon J S, Kim N H, et al. Metabolic changes in urine and serum during progression of diabetic kidney disease in a mouse model[J]. Archives of biochemistry and biophysics, 2018, 646: 90-97.

56) Sequeira D P, Correia R, Carrondo M J T, et al. Combining stable insect cell lines with baculovirus-mediated expression for multi-HA influenza VLP production[J]. Vaccine, 2018, 36(22): 3112-3123.

57) Weaver A J, Peters T R, Tripet B, et al. Exposure of Methicillin-Resistant Staphylococcus aureus to Low Levels of the Antibacterial THAM-3ΦG Generates a Small Colony Drug-Resistant Phenotype[J]. Scientific reports, 2018, 8(1): 9850.

58) Le Gall G*+, Guttula K*, Kellingray L*, Tett AJ, Hoopen R, Ibrahim A, Narbad, A. (2018) Metabolite quantification of faecal extracts from colorectal cancer and healthy patients. in Oncotarget 9 33278-33289 + corresponding author

59) Park G H J, Yang S H, Baek H M. 900MHz 1H-/13C-NMR analysis of 2-hydroxyglutarate and other brain metabolites in human brain tumor tissue extracts[J]. PloS one, 2018, 13(9): e0203379.

60) Li J, Zhang Z Z, Lei Z H, et al. NMR based metabolomic comparison of the antitussive and expectorant effect of Farfarae Flos collected at different stages[J]. Journal of pharmaceutical and biomedical analysis, 2018, 150: 377-385.

61) Gay M, Koleva P, Slupsky C, et al. Worldwide Variation in Human Milk Metabolome: Indicators of Breast Physiology and Maternal Lifestyle?[J]. Nutrients, 2018, 10(9): 1151.

62) Wang Z, Gao K, Xu C, et al. Metabolic effects of Hedyotis diffusa on rats bearing Walker 256 tumor revealed by NMR‐based metabolomics[J]. Magnetic Resonance in Chemistry, 2018, 56(1): 5-17.

63) Jin D, Zhao S G, Zheng N, et al. Urea nitrogen induces changes in rumen microbial and host metabolic profiles in dairy cows[J]. Livestock Science, 2018, 210: 104-110.

64) Tan C X, Chong G H, Hamzah H, et al. Effect of virgin avocado oil on diet‐induced hypercholesterolemia in rats via 1 H NMR‐based metabolomics approach[J]. Phytotherapy Research, 2018.

65) Cappello T, Giannetto A, Parrino V, et al. Baseline levels of metabolites in different tissues of mussel Mytilus galloprovincialis (Bivalvia: Mytilidae)[J]. Comparative Biochemistry and Physiology Part D: Genomics and Proteomics, 2018, 26: 32-39.

66) Qi N L, Gong S, Yang C L, et al. H NMR-BASED METABOLIC PROFILE OF LACTOBACILLUS SALIVARIUS FDB89 UNDER OSMOTIC STRESS[J]. APPLIED ECOLOGY AND ENVIRONMENTAL RESEARCH, 2018, 16(3): 3489-3500.

67) Abdul-Hamid N A, Mediani A, Maulidiani M, et al. Metabolite characterization of different palm date varieties and the correlation with their NO inhibitory activity, texture and sweetness[J]. Journal of food science and technology, 2018, 55(4): 1541-1551.

68) Zhao F, Chang Y, Gao L, et al. Protective effects of Scutellaria baicalensis Georgi extract on D-galactose induced aging rats[J]. Metabolic brain disease, 2018: 1-12.

69) Di Marino S, Viceconte N, Lembo A, et al. Early metabolic response to acute myocardial ischaemia in patients undergoing elective coronary angioplasty[J]. Open heart, 2018, 5(1): e000709.

70) Kim H K, Kostidis S, Choi Y H. NMR analysis of fecal samples[M]//Clinical Metabolomics. Humana Press, New York, NY, 2018: 317-328.

71) Sowmya M V. Studies on Bioremediation of Cr (VI) using Indigenous Bacterial Strains Isolated from a Chromite Mine[D]. , 2018.

72) Scano A, Ebau F, Manca M L, et al. Novel drug delivery systems for natural extracts: The case study of Vitis Vinifera extract-SiO2 nanocomposites[J]. International journal of pharmaceutics, 2018, 551(1-2): 84-96.

73) Jang H J, Lee J D, Jeon H S, et al. Metabolic Profiling of Eccentric Exercise-Induced Muscle Damage in Human Urine[J]. Toxicological research, 2018, 34(3): 199.

74) Verhoeven A, Giera M, Mayboroda O A. KIMBLE A versatile visual NMR metabolomics workbench in KNIME[J]. Analytica Chimica Acta, 2018.

75) Sundekilde U K, Jarno L, Eggers N, et al. Real-time monitoring of enzyme-assisted animal protein hydrolysis by NMR spectroscopy–An NMR reactomics concept[J]. LWT, 2018, 95: 9-16.

76) Picone G, Zappaterra M, Luise D, et al. Metabolomics characterization of colostrum in three sow breeds and its influences on piglets’ survival and litter growth rates[J]. Journal of animal science and biotechnology, 2018, 9(1): 23.

77) Rawat A, Misra G, Saxena M, et al. 1H NMR based serum metabolic profiling reveals differentiating biomarkers in patients with diabetes and diabetes-related complication[J]. Diabetes & Metabolic Syndrome: Clinical Research & Reviews, 2018.

78) Yu K, Matzapetakis M, Valent D, et al. Skeletal muscle metabolomics and blood biochemistry analysis reveal metabolic changes associated with dietary amino acid supplementation in dairy calves[J]. Scientific reports, 2018, 8.

79) Romick-Rosendale L E, Haslam D B, Lane A, et al. Antibiotic Exposure and Reduced Short Chain Fatty Acid Production after Hematopoietic Stem Cell Transplant[J]. Biology of Blood and Marrow Transplantation, 2018.

80) Mediani A, Abas F, Maulidiani M, et al. Metabolomic analysis and biochemical changes in the urine and serum of streptozotocin-induced normal-and obese-diabetic rats[J]. Journal of physiology and biochemistry, 2018: 1-14.

81) Jung M Y, Kim T W, Lee C, et al. Role of jeotgal, a Korean traditional fermented fish sauce, in microbial dynamics and metabolite profiles during kimchi fermentation[J]. Food chemistry, 2018, 265: 135-143.

82) Hendrickson C. 1H-NMR Metabolomics Characterizes Transition From Ebb To Flow In A Porcine Model Of Smoke Inhalation And Severe Burn Injury[J]. 2018.

83) Jalloh I. Interrogating and potentiating energy metabolism in the human brain after traumatic brain injury[D]. University of Cambridge, 2018.

84) Paul A, Kumar S, Raj A, et al. Alteration in lipid composition differentiates breast cancer tissues: a 1 H HRMAS NMR metabolomic study[J]. Metabolomics, 2018, 14(9): 119.

85) Schafer J R, Salzillo T C, Chakravarti N, et al. Education-dependent activation of glycolysis promotes the cytolytic potency of licensed human natural killer cells[J]. Journal of Allergy and Clinical Immunology, 2018.

86) Jasour M S, Wagner L, Sundekilde U K, et al. Fishmeal with different levels of biogenic amines in aquafeed: Comparison of feed protein quality, fish growth performance, and metabolism[J]. Aquaculture, 2018, 488: 80-89.

87) Wei Z, Zhou H, Zhang Y, et al. Integrative analysis of transcriptomics and metabolomics profiling on flesh quality of large yellow croaker Larimichthys crocea fed a diet with hydroxyproline supplementation[J]. British Journal of Nutrition, 2018, 119(4): 359-367.

88) Liu T, Luo F, Wang Z, et al. The enhanced biomass and lipid accumulation in Coccomyxa subellipsoidea with an integrated treatment strategy initiated by brewery effluent and phytohormones[J]. World Journal of Microbiology and Biotechnology, 2018, 34(2): 25.

89) Ye L, De Iorio M, Ebbels T M D. Bayesian estimation of the number of protonation sites for urinary metabolites from NMR spectroscopic data[J]. Metabolomics, 2018, 14(5): 56.

90) Cao J, Jin Q, Wang G, et al. Comparison of the serum metabolic signatures based on 1 H NMR between patients and a rat model of deep vein thrombosis[J]. Scientific reports, 2018, 8(1): 7837.

91) Navaratnam K, Alfirevic A, Jorgensen A, et al. Aspirin non-responsiveness in pregnant women at high-risk of pre-eclampsia[J]. European Journal of Obstetrics & Gynecology and Reproductive Biology, 2018, 221: 144-150.

92) Euceda L R, Andersen M K, Tessem M B, et al. NMR-Based Prostate Cancer Metabolomics[M]//Prostate Cancer. Humana Press, New York, NY, 2018: 237-257.

93) Keshteli A H, Tso R, Dieleman L A, et al. A Distinctive Urinary Metabolomic Fingerprint Is Linked With Endoscopic Postoperative Disease Recurrence in Crohn’s Disease Patients[J]. Inflammatory bowel diseases, 2018, 24(4): 861-870.

94) Cash J G, Konaniah E, Hegde N, et al. Therapeutic reduction of lysophospholipids in the digestive tract recapitulates the metabolic benefits of bariatric surgery and promotes diabetes remission[J]. Molecular metabolism, 2018, 16: 55-64.

95) Jeong J A, Park S W, Yoon D, et al. Roles of Alanine Dehydrogenase and Induction of Its Gene in Mycobacterium smegmatis under Respiration-inhibitory Conditions[J]. Journal of bacteriology, 2018: JB. 00152-18.

96) Wu Z, Jin L, Zheng W, et al. NMR-based serum metabolomics study reveals a innovative diagnostic model for missed abortion[J]. Biochemical and biophysical research communications, 2018, 496(2): 679-685.

97) Kajimoto M, Nuri M, Isern N G, et al. Metabolic Response of the Immature Right Ventricle to Acute Pressure Overloading[J]. Journal of the American Heart Association, 2018, 7(11): e008570.

98) Bryant J D, Sweeney S R, Sentandreu E, et al. Deletion of the neural tube defect-associated gene Mthfd1l disrupts one-carbon and central energy metabolism in mouse embryos[J]. Journal of Biological Chemistry, 2018: jbc. RA118. 002180.

99) Roy D, Chen C, Wang J, et al. Marsdenia tenacissima extract alters crucial metabolites in cancer, determined by 1 H NMR based metabolomics approach[J]. Brazilian Journal of Pharmaceutical Sciences, 2018, 54(2).

100) Röhnisch H E, Eriksson J, Müllner E, et al. AQuA: An Automated Quantification Algorithm for High-Throughput NMR-Based Metabolomics and Its Application in Human Plasma[J]. Analytical chemistry, 2018, 90(3): 2095-2102.

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100) Röhnisch H E, Eriksson J, Müllner E, et al. AQuA: An Automated Quantification Algorithm for High-Throughput NMR-Based Metabolomics and Its Application in Human Plasma[J]. Analytical chemistry, 2018, 90(3): 2095-2102.

101) Liang R, Chen J, Shi Y, et al. Toxicological effects on earthworms (Eisenia fetida) exposed to sub-lethal concentrations of BDE-47 and BDE-209 from a metabolic point[J]. Environmental Pollution, 2018, 240: 653-660.

102) Lee W, Ko B J, Suh S, et al. Discrimination of Human Urine from Animal Urine Using 1H-NMR[J]. Journal of analytical toxicology, 2018.

103) Razali M, Zainal Z, Maulidiani M, et al. Classification of Raw Stingless Bee Honeys by Bee Species Origins Using the NMR-and LC-MS-Based Metabolomics Approach[J]. Molecules, 2018, 23(9): 2160.

104) Vidotto F L, Ribeiro G P, Tischer C A. Production of Cellulose and Profile Metabolites by Fermentation of Glycerol by Gluconacetobacter Xylinus[J]. Brazilian Archives of Biology and Technology, 2018, 61.

105) Santiago G T, Contreras J I S, Camargo M E M, et al. NMR-based metabonomic approach reveals changes in the urinary and fecal metabolome caused by resveratrol[J]. Journal of pharmaceutical and biomedical analysis, 2018.

106) Niemuth J N, Harms C A, Macdonald J M, et al. Propylene Glycol in Free-Ranging Green Sea Turtle Plasma[J]. Journal of Fish and Wildlife Management, 2018.

107) Raja G, Kim S, Yoon D, et al. 1H NMR Based Metabolomics Studies of the Toxicity of Titanium Dioxide Nanoparticles in Zebrafish (Danio rerio)[J]. Bulletin of the Korean Chemical Society, 2018, 39(1): 33-39.

108) Liu Q, Wu J, Lim Z Y, et al. Metabolite profiling of Listeria innocua for unravelling the inactivation mechanism of electrolysed water by nuclear magnetic resonance spectroscopy[J]. International journal of food microbiology, 2018, 271: 24-32.

109) Gehrman P, Sengupta A, Harders E, et al. Altered diurnal states in insomnia reflect peripheral hyperarousal and metabolic desynchrony: a preliminary study[J]. Sleep, 2018, 41(5): zsy043.

110) Jiang S, Yan W, Wang S E, et al. Let-7 suppresses B cell activation through restricting the availability of necessary nutrients[J]. Cell metabolism, 2018, 27(2): 393-403. e4.

111) Chen H, Diao X, Zhou H. Tissue-specific metabolic responses of the pearl oyster Pinctada martensii exposed to benzo [a] pyrene[J]. Marine pollution bulletin, 2018, 131: 17-21.

112) Anderson J R, Chokesuwattanaskul S, Phelan M P, et al. 251 Synovial fluid metabolite profiles differ between osteoarthritis and rheumatoid arthritis[J]. Rheumatology, 2018, 57(suppl_3): key075. 475.

113) Hammad S, Othman A, Meyer C, et al. Confounding influence of tamoxifen in mouse models of Cre recombinase-induced gene activity or modulation[J]. Archives of toxicology, 2018, 92(8): 2549-2561.

114) Mercier K A, Al-Jazrawe M, Poon R, et al. A Metabolomics Pilot Study on Desmoid Tumors and Novel Drug Candidates[J]. Scientific reports, 2018, 8(1): 584.

115) Nadjsombati M S, McGinty J W, Lyons-Cohen M R, et al. Detection of succinate by intestinal tuft cells triggers a type 2 innate immune circuit[J]. Immunity, 2018, 49(1): 33-41. e7.

116) Rhoads T W, Burhans M S, Chen V B, et al. Caloric Restriction Engages Hepatic RNA Processing Mechanisms in Rhesus Monkeys[J]. Cell metabolism, 2018, 27(3): 677-688. e5.

117) Thøgersen R, Castro‐Mejía J L, Sundekilde U K, et al. Ingestion of an Inulin‐Enriched Pork Sausage Product Positively Modulates the Gut Microbiome and Metabolome of Healthy Rats[J]. Molecular nutrition & food research, 2018: 1800608.

118) Steenbergen R, Oti M, Ter Horst R, et al. Establishing normal metabolism and differentiation in hepatocellular carcinoma cells by culturing in adult human serum[J]. Scientific reports, 2018, 8(1): 11685.

119) Lee S W, Chatterjee N, Im J E, et al. Integrated approach of eco-epigenetics and eco-metabolomics on the stress response of bisphenol-A exposure in the aquatic midge Chironomus riparius[J]. Ecotoxicology and environmental safety, 2018, 163: 111-116.

120) Nichols R G, Cai J, Murray I A, et al. Structural and Functional Analysis of the Gut Microbiome for Toxicologists[J]. Current protocols in toxicology, 2018: e54.

121) Amin A M, Chin L S, Teh C H, et al.
Pharmacometabolomics analysis of plasma to phenotype clopidogrel high on treatment platelets reactivity in coronary artery disease patients[J].
European Journal of Pharmaceutical Sciences, 2018, 117: 351-361.

122) 蒋明, 杨长庚, 王卫民, 等. 锌对团头鲂幼鱼血清 1 H NMR 代谢组的影响[J]. 水产学报, 2018, 42(6): 838-845.

123) Drusian L, Nigro E A, Mannella V, et al. mTORC1 Upregulation Leads to Accumulation of the Oncometabolite Fumarate in a Mouse Model of Renal Cell Carcinoma[J]. Cell reports, 2018, 24(5): 1093-1104. e6.

124) Rocculi P, Cevoli C, Tappi S, et al. Freshness assessment of European hake (Merluccius merluccius) through the evaluation of eye chromatic and morphological characteristics[J]. Food Research International, 2018.

125) Schmedes M, Brejnrod A D, Aadland E K, et al. The Effect of Lean‐Seafood and Non‐Seafood Diets on Fecal Metabolites and Gut Microbiome: Results from a Randomized Crossover Intervention Study[J]. Molecular nutrition & food research, 2018: 1700976.

126) Palmnäs M S A, Kopciuk K A, Shaykhutdinov R A, et al. Serum Metabolomics of Activity Energy Expenditure and its Relation to Metabolic Syndrome and Obesity[J]. Scientific reports, 2018, 8(1): 3308.

127) Sivanesan S, Taylor A, Zhang J, et al. Betaine and choline improve lipid homeostasis in obesity by participation in mitochondrial oxidative demethylation[J]. Frontiers in nutrition, 2018, 5.

128) Kang D W, Ilhan Z E, Isern N G, et al. Differences in fecal microbial metabolites and microbiota of children with autism spectrum disorders[J]. Anaerobe, 2018, 49: 121-131.

129) Åkesson K, Pettersson S, Ståhl S, et al. Kynurenine pathway is altered in patients with SLE and associated with severe fatigue[J]. Lupus science & medicine, 2018, 5(1): e000254.

130) Villa-Ruano N, Velásquez-Valle R, Zepeda-Vallejo L G, et al. 1H NMR-based metabolomic profiling for identification of metabolites in Capsicum annuum cv. mirasol infected by beet mild curly top virus (BMCTV)[J]. Food Research International, 2018, 106: 870-877.

131) Chokesuwattanaskul S, Mangalakumaran S, Chapman E, et al. 250 The effect of JAK inhibition on neutrophil killing, netosis and metabolism in rheumatoid arthritis[J]. Rheumatology, 2018, 57(suppl_3): key075. 474.

132) Gómez-Gallego C, Morales J, Monleón D, et al. Human Breast Milk NMR Metabolomic Profile across Specific Geographical Locations and Its Association with the Milk Microbiota[J]. Nutrients, 2018, 10(10): 1355.

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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.