01641nas a2200157   4500008004100000022001400041245008400055210006900139260011000208300001400318490000600332520098200338100001701320700003101337856011501368       2011                        eng d  a1759-966000aHigh throughput quantitative analysis of melamine and triazines by MALDI-TOF MS0 aHigh throughput quantitative analysis of melamine and triazines   aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT  a2360-23660 v33 a<p>Quantitative and high throughput MALDI MS analysis of symmetrical triazines (s-triazines), and milk contaminated with melamine has been demonstrated. s-Triazines from a multi component aqueous test mixture, and melamine, a known adulterant in milk, were quantified at low parts-per-million (ppm) level using 2,5-dihydroxybenzoic acid (2,5-DHB) as a matrix. Mass spectral peak intensity ratios of the analyte and a suitable internal standard were used for the quantitation. Limit of detection at 20 `parts-per- billion' (nano molar concentration) has been achieved for the s-triazines from the aqueous mixture. Quantitation from MALDI MS peak intensities was validated using LC-PDA and LC-ESI-MS analysis using both spectral peak intensities and areas under the chromatographic curves. Excellent linearity in low ppm concentrations along with good precision and accuracy, all of which were comparable to LC-ESI-MS data, were obtained with the advantage of rapid analysis.</p>1 aSingh, Ajeet1 aPanchagnula, Venkateswarlu  uhttps://library.ncl.res.in/content/high-throughput-quantitative-analysis-melamine-and-triazines-maldi-tof-ms-002359nas a2200265   4500008004100000022001400041245011200055210006900167260009500236300001200331490000800343520134200351653003101693653001701724653002801741653002301769653002601792653002301818100002801841700002501869700002101894700002001915700003101935856012701966       2012                        eng d  a0021-979700aEnhanced permeation, leaf retention, and plant protease inhibitor activity with bicontinuous microemulsions0 aEnhanced permeation leaf retention and plant protease inhibitor   a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcOCT  a177-1830 v3833 a<p>Bicontinuous microemulsions (BCMEs) have excellent solubulizing properties along with low interfacial tension and aqueous content that can be controlled. In this work, water soluble plant protease inhibitor (PI), well characterized for its activity against insect pests, was incorporated into a BCME system and explored for permeation on hydrophobic leaf surfaces and protease inhibition activity. The bicontinuous nature of the microemulsion containing water:2-propanol:1-butanol (55:35:10 w/w) was characterized using conductivity and self-diffusion coefficient measurements. The PI was soluble in the water-rich bicontinuous domains, stable in the microemulsions, and protease inhibition activity was retained for a prolonged duration. The microemulsions ensured greater wettability and a wider spread of the PI on hydrophobic leaf surfaces as revealed by contact angle measurements. Significantly, trypsin inhibition activity assays of the PI recovered from the leaves after delivery from the microemulsion indicated a significant increase in the PI retention on the leaf. This BCME enabled greater leaf permeation and retention of the PI can be attributed to a temporary disruption of the waxy leaf surface followed by self-repair without causing any long term damage to the plant. (C) 2012 Elsevier Inc. All rights reserved.</p>10aBicontinuous microemulsion10aBiopesticide10aMicroemulsion pesticide10aprotease inhibitor10aProtein encapsulation10aProtein permeation1 aTamhane, Vaijayanti, A.1 aDhaware, Deepika, G.1 aKhandelwal, Neha1 aGiri, Ashok, P.1 aPanchagnula, Venkateswarlu  uhttps://library.ncl.res.in/content/enhanced-permeation-leaf-retention-and-plant-protease-inhibitor-activity-bicontinuous-002436nas a2200241   4500008004100000022001400041245011500055210006900170260011000239300001400349490000600363520149000369100002701859700001701886700002101903700002001924700002101944700002501965700002101990700002302011700003102034856012902065       2014                        eng d  a1759-966000aMatrix-assisted laser desorption/ionization mass spectrometry analysis of dimethyl arginine isomers from urine0 aMatrixassisted laser desorptionionization mass spectrometry anal  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR  a4602-46090 v63 a<p>Isomeric asymmetric and symmetric dimethyl arginine (ADMA and SDMA respectively) residues are excreted in urine and are putative markers of cardiovascular and chronic kidney diseases. In this work, we demonstrate simultaneous and quantitative detection of endogeneous ADMA and SDMA from urine samples of healthy subjects using MALDI-TOF MS without any chromatographic separation. The DMA isomers yielded [M + H](+) ions along with their product ions formed due to MALDI in-source fragmentation. The precursor ions were validated using MALDI-TOF MS/MS as well as direct injection ESI-Q-TOF MS/MS. ADMA and SDMA generated unique product ions at similar to m/z 46 and similar to m/z 172 respectively in the MS-mode itself. These were advantageously used for full scan-mode absolute quantification of the isomeric metabolites. The m/z observed for all the ions was within 10 ppm mass accuracy. The calibration method was established by generating internal standard normalized peak area-based concentration response curves using synthetic standards. Good linearities (R-2 &gt; 0.95) with acceptable intra-assay, inter-assay variation (within 15% RSD) and excellent recoveries were observed for quality control samples. Finally, endogeneous concentrations of the metabolites were determined in urine from healthy subjects (n = 11). ADMA and SDMA were found to be in the range of 1.6-8 mu M and 2.9-9.1 mu M in urine and were in agreement with previously reported physiological levels.</p>1 aBhattacharya, Nivedita1 aSingh, Ajeet1 aGhanate, Avinash1 aPhadke, Gayatri1 aParmar, Dharmesh1 aDhaware, Deepika, G.1 aBasak, Trayambak1 aSengupta, Shantanu1 aPanchagnula, Venkateswarlu  uhttps://library.ncl.res.in/content/matrix-assisted-laser-desorptionionization-mass-spectrometry-analysis-dimethyl-arginine-002558nas a2200193   4500008004100000245014400041210006900185260000800254300001200262490000700274520180700281100003802088700002602126700001602152700001902168700003102187700001902218856012702237       2017                        eng d00aCHO Cells Adapted to Inorganic Phosphate Limitation Show Higher Growth and Higher Pyruvate Carboxylase Flux in Phosphate Replete Conditions0 aCHO Cells Adapted to Inorganic Phosphate Limitation Show Higher   cMAY  a749-7580 v333 aInorganic phosphate (P-i) is an essential ion involved in diverse cellular processes including metabolism. Changes in cellular metabolism upon long term adaptation to P-i limitation have been reported in E. coli. Given the essential role of P-i, adaptation to P-i limitation may also result in metabolic changes in animal cells. In this study, we have adapted CHO cells producing recombinant IgG to limiting P-i conditions for 75 days. Not surprisingly, adapted cells showed better survival under P-i limitation. Here, we report the finding that such cells also showed better growth characteristics compared to control in batch culture replete with P-i ( higher peak density and integral viable cell density), accompanied by a lower specific oxygen uptake rate and cytochrome oxidase activity towards the end of exponential phase. Surprisingly, the adapted cells grew to a lower peak density under glucose limitation. This suggests long term P-i limitation may lead to selection for an altered metabolism with higher dependence on glucose availability for biomass assimilation compared to control. Steady state U-C-13 glucose labeling experiments suggest that adapted cells have a higher pyruvate carboxylase flux. Consistent with this observation, supplementation with aspartate abolished the peak density difference whereas supplementation with serine did not abolish the difference. This supports the hypothesis that cell growth in the adapted culture might be higher due to a higher pyruvate carboxylase flux. Decreased fitness under carbon limitation and mutations in the sucABCD operon has been previously reported in E. coli upon long term adaptation to P-i limitation, suggestive of a similarity in cellular response among such diverse species. (C) 2017 American Institute of Chemical Engineers1 aMaralingannavar, Vishwanathgouda;1 aParmar, Dharmeshkumar1 aPant, Tejal1 aGadgil, Chetan1 aPanchagnula, Venkateswarlu1 aGadgil, Mugdha  uhttps://library.ncl.res.in/content/cho-cells-adapted-inorganic-phosphate-limitation-show-higher-growth-and-higher-pyruvate01997nas a2200205   4500008004100000245016000041210006900201260000800270300001200278490000800290520120200298100001901500700001701519700002401536700002501560700002601585700002201611700003101633856012701664       2017                        eng d00aDetermination of triazines and triazoles in grapes using atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry0 aDetermination of triazines and triazoles in grapes using atmosph  cMAY  a640-6460 v1003 aA chromatography-free atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry (AP-MALDI HRMS) method is described for the simultaneous and quantitative detection of triazines and triazoles in grapes. The analytes were detected reproducibly with high mass accuracy (mass error within 5 ppm) and further confirmed by collision-induced dissociation fragmentation in tandem MS. The LODs and LOQs for all the analytes were found to be in the nanogram per gram level (15-20 ng/g LOQ). Internal standard normalized high-resolution accurate mass extracted (HR-AM) peak intensities of the detected ions were used to generate the concentration response curves. Linearity (with R-2 values around 0.99) was obtained for these curves within a concentration range of 20-200 ng/g of the individual analytes. The accuracy and precision of the method were further established using QC samples. Validation and performance comparison of the AP-MALDI HRMS method with an existing standard method using LC with :triple quadrupole MS was carried out (evaluating sensitivity, accuracy, precision, and analysis time) using 20 table-grape field samples after QuEChERS extraction.1 aMahale, Vishal1 aSingh, Ajeet1 aPhadke, Gayatri, S.1 aGhanate, Avinash, D.1 aOulkar, Dasharath, P.1 aBanerjee, Kaushik1 aPanchagnula, Venkateswarlu  uhttps://library.ncl.res.in/content/determination-triazines-and-triazoles-grapes-using-atmospheric-pressure-matrix-assisted02451nas a2200193   4500008004100000245025800041210006900299260000800368490000700376520146600383653013101849100002501980700002602005700002702031700002502058700003102083700002102114856012202135       2017                        eng d00aScalable metabolite supplementation strategy against antibiotic resistant pathogen Chromobacterium violaceum induced by NAD(+)/NADH(+) imbalanceA scalable metabolite supplementation strategy against antibiotic resistant pathogen Chromobacterium violaceu0 aScalable metabolite supplementation strategy against antibiotic   cAPR0 v113 a<p>BACKGROUND: The leading edge of the global problem of antibiotic resistance necessitates novel therapeutic strategies. This study develops a novel systems biology driven approach for killing antibiotic resistant pathogens using benign metabolites. RESULTS: Controlled laboratory evolutions established chloramphenicol and streptomycin resistant pathogens of Chromobacterium. These resistant pathogens showed higher growth rates and required higher lethal doses of antibiotic. Growth and viability testing identified malate, maleate, succinate, pyruvate and oxoadipate as resensitising agents for antibiotic therapy. Resistant genes were catalogued through whole genome sequencing. Intracellular metabolomic profiling identified violacein as a potential biomarker for resistance. The temporal variance of metabolites captured the linearized dynamics around the steady state and correlated to growth rate. A constraints-based flux balance model of the core metabolism was used to predict the metabolic basis of antibiotic susceptibility and resistance. CONCLUSIONS: The model predicts electron imbalance and skewed NAD/NADH ratios as a result of antibiotics - chloramphenicol and streptomycin. The resistant pathogen rewired its metabolic networks to compensate for disruption of redox homeostasis. We foresee the utility of such scalable workflows in identifying metabolites for clinical isolates as inevitable solutions to mitigate antibiotic resistance.</p>10aAntibiotic resistance; Flux balance analysis; Flux variability analysis; Metabolism; Metabolomic; NAD; NADH; Redox homeostasis1 aBanerjee, Deepanwita1 aParmar, Dharmeshkumar1 aBhattacharya, Nivedita1 aGhanate, Avinash, D.1 aPanchagnula, Venkateswarlu1 aRaghunathan, Anu  uhttps://library.ncl.res.in/content/scalable-metabolite-supplementation-strategy-against-antibiotic-resistant-pathogen00752nas a2200157   4500008004100000245010700041210006900148260009700217100003700314700002600351700001600377700001900393700003100412700001900443856013200462       2018                        eng d00aDifferential responses of CHO cells adapted to limitation of inorganic phosphate, glucose or glutamine0 aDifferential responses of CHO cells adapted to limitation of ino  aNew Orleans, LAbAmerican-Chemical-Society, 1155 16TH ST, NW, Washington, DC 20036 USAcMAR 1 aMaralingannavar, Vishwanathgouda1 aParmar, Dharmeshkumar1 aPant, Tejal1 aGadgil, Chetan1 aPanchagnula, Venkateswarlu1 aGadgil, Mugdha  uhttps://library.ncl.res.in/content/differential-responses-cho-cells-adapted-limitation-inorganic-phosphate-glucose-or-glutamine02198nas a2200289   4500008004100000022001400041245008700055210006900142260000800211300001400219490000800233520125800241653001401499653002301513653002501536653002001561653002801581653001001609100002901619700002501648700003001673700002001703700003101723700001701754700002101771856011601792       2018                        eng d  a0006-291X00aIntegrative analysis of rewired central metabolism in temozolomide resistant cells0 aIntegrative analysis of rewired central metabolism in temozolomi  cJAN  a2010-20160 v4953 a<p>An authenticated U87MG clonal glioblastoma cell line was investigated to identify a sub-population of neurospheroidal (NSP) cells within the main epithelial population (U87MG). The NSP cells sorted using Fluorescence Assisted Cell Sorting (FACS) showed varied morphology, 30% lower growth rates, 40% higher IC50 values for temozolomide drug and could differentiate into the glial cell type (NDx). Metabolite profiling using HR-LCMS identified glucose, glutamine and serine in both populations and tryptophan only in U87MG as growth limiting substrates. Glycine, alanine, glutamate and proline were secreted by U87MG, however proline and glycine were re-utilized in NSP. Exo-metabolite profiling and phenotypic microarrays identified differential metabolism of primary carbon sources glucose and derived pyruvate for U87MG; glutamine and derived glutamate metabolism in NSP. Differential mRNA abundance of AKT1, PTEN, PIK3CA controlling metabolism, drug efflux, nutrient transport and epigenetic control MDM2 are potentially critical in shaping DNA methylation effects of temozolomide. Our study provides a new insight into the combined effect of these factors leading to temozolomide resistance in NSP. (C) 2017 Elsevier Inc. All rights reserved.</p>10aGlutamine10aMetabolic rewiring10aMetabolite profiling10amRNA abundances10aTemozolomide resistance10aU87MG1 aImmanuel, Selva, Rupa C.1 aGhanate, Avinash, D.1 aParmar, Dharmeshkumar, S.1 aMarriage, Fiona1 aPanchagnula, Venkateswarlu1 aDay, Nap, J.1 aRaghunathan, Anu  uhttps://library.ncl.res.in/content/integrative-analysis-rewired-central-metabolism-temozolomide-resistant-cells02699nas a2200277   4500008004100000022001400041245019500055210006900250260001200319300001500331490000700346520166900353653002502022653001402047653002502061653002502086653001102111653001102122653004002133653001102173100003702184700002602221700003102247700001902278856012402297       2019                        eng d  a8756-793800aSuperfluous glutamine synthetase activity in Chinese Hamster Ovary cells selected under glutamine limitation is growth limiting in glutamine-replete conditions and can be inhibited by serine0 aSuperfluous glutamine synthetase activity in Chinese Hamster Ova  cSEP-OCT  aUNSP e28560 v353 a<p>Passaging and expansion of animal cells in lean maintenance medium could result in periods of limitation of some nutrients. Over time, such stresses could possibly result in selection of cells with metabolic changes and contribute to heterogeneity. Here, we investigate whether selection of Chinese Hamster Ovary (CHO) cells under glutamine limitation results in changes in growth under glutamine-replete conditions. In glutamine-limiting medium, compared to control cells passaged in glutamine-rich medium, the selected cells showed higher glutamine synthetase (GS) activity and attained a higher peak viable cell density (PVCD). Surprisingly, in glutamine-replete conditions, selected cells still showed a higher GS activity but a lower PVCD. We show that in glutamine-replete medium, PVCD of selected cells was restored on (a) inhibition of GS activity with methionine sulfoximine, (b) supplementation of aspartate-without affecting GS activity, and (c) supplementation of serine, which is reported to inhibit GS in vitro. Consistent with the reported effect of serine, inhibition of GS activity was observed upon serine supplementation along with reduced growth of cells under glutamine-limiting conditions. The latter observation is important for the design of glutamine-free culture medium and feed used for GS-CHO and GS-NS0. In summary, we show that CHO cells selected under glutamine limitation have superfluous GS activity in glutamine-replete medium, which negatively affects their PVCD. This may be due to its effect on availability of aspartate which was the limiting nutrient for the growth of selected cells in glutamine-replete conditions.</p>
10aC-13 tracer analysis10aCHO cells10aglutamine limitation10aGlutamine synthetase10aGS-CHO10aGS-NS010aselection under nutrient limitation10aserine1 aMaralingannavar, Vishwanathgouda1 aParmar, Dharmeshkumar1 aPanchagnula, Venkateswarlu1 aGadgil, Mugdha  uhttps://library.ncl.res.in/content/superfluous-glutamine-synthetase-activity-chinese-hamster-ovary-cells-selected-under02464nas a2200301   4500008004100000022001400041245009900055210006900154260000800223300000900231490000700240520142600247100002601673700002701699700002201726700002301748700002601771700002101797700002701818700002301845700004101868700002201909700002301931700002301954700002701977700003102004856012702035       2020                        eng d  a2045-232200aPlausible diagnostic value of urinary isomeric dimethylarginine ratio for diabetic nephropathy0 aPlausible diagnostic value of urinary isomeric dimethylarginine   cFEB  a29700 v103 a<p>Altered circulatory asymmetric and symmetric dimethylarginines have been independently reported in patients with end-stage renal failure suggesting their potential role as mediators and early biomarkers of nephropathy. These alterations can also be reflected in urine. Herein, we aimed to evaluate urinary asymmetric to symmetric dimethylarginine ratio (ASR) for early prediction of diabetic nephropathy (DN). In this cross-sectional study, individuals with impaired glucose tolerance (IGT), newly diagnosed diabetes (NDD), diabetic microalbuminuria (MIC), macroalbuminuria (MAC), and normal glucose tolerance (NGT) were recruited from Dr. Mohans' Diabetes Specialties centre, India. Urinary ASR was measured using a validated high-throughput MALDI-MS/MS method. Significantly lower ASR was observed in MIC (0.909) and MAC (0.741) in comparison to the NGT and NDD groups. On regression models, ASR was associated with MIC [OR: 0.256; 95% CI: 0.158-0.491] and MAC [OR 0.146; 95% CI: 0.071-0.292] controlled for all the available confounding factors. ROC analysis revealed ASR cut-point of 0.95 had C-statistic of 0.691 (95% CI: 0.627-0.755) to discriminate MIC from NDD with 72% sensitivity. Whereas, an ASR cut-point of 0.82 had C-statistic of 0.846 (95% CI: 0.800 - 0.893) had 91% sensitivity for identifying MAC. Our results suggest ASR as a potential early diagnostic biomarker for DN among the Asian Indians.</p>
1 aParmar, Dharmeshkumar1 aBhattacharya, Nivedita1 aKannan, Shanthini1 aVadivel, Sangeetha1 aPandey, Gautam, Kumar1 aGhanate, Avinash1 aRagi, Nagarjuna, Chary1 aPrabu, Paramasivam1 aPramodkumar, Thyparambil, Aravindaks1 aManickam, Nagaraj1 aMohan, Viswanathan1 aSripadi, Prabhakar1 aKuppan, Gokulakrishnan1 aPanchagnula, Venkateswarlu  uhttps://library.ncl.res.in/content/plausible-diagnostic-value-urinary-isomeric-dimethylarginine-ratio-diabetic-nephropathy01855nas a2200205   4500008004100000245011700041210006900158260000900227300000600236490000600242520110000248100003201348700002501380700003001405700001601435700001601451700003101467700002101498856013001519       2021                        eng d00aIntegrated genetic and metabolic landscapes predict vulnerabilities of temozolomide resistant glioblastoma cells0 aIntegrated genetic and metabolic landscapes predict vulnerabilit  cJAN   a20 v73 a<p>Metabolic reprogramming and its molecular underpinnings are critical to unravel the duality of cancer cell function and chemo-resistance. Here, we use a constraints-based integrated approach to delineate the interplay between metabolism and epigenetics, hardwired in the genome, to shape temozolomide (TMZ) resistance. Differential metabolism was identified in response to TMZ at varying concentrations in both the resistant neurospheroidal (NSP) and the susceptible (U87MG) glioblastoma cell-lines. The genetic basis of this metabolic adaptation was characterized by whole exome sequencing that identified mutations in signaling pathway regulators of growth and energy metabolism. Remarkably, our integrated approach identified rewiring in glycolysis, TCA cycle, malate aspartate shunt, and oxidative phosphorylation pathways. The differential killing of TMZ resistant NSP by Rotenone at low concentrations with an IC50 value of 5 nM, three orders of magnitude lower than for U87MG that exhibited an IC50 value of 1.8 mM was thus identified using our integrated systems-based approach.</p>
1 aImmanuel, Selva, Rupa Chris1 aGhanate, Avinash, D.1 aParmar, Dharmeshkumar, S.1 aYadav, Ritu1 aUthup, Riya1 aPanchagnula, Venkateswarlu1 aRaghunathan, Anu  uhttps://library.ncl.res.in/content/integrated-genetic-and-metabolic-landscapes-predict-vulnerabilities-temozolomide-resistant01253nas a2200361   4500008004100000022001400041245014600055210006900201260000800270300001400278490000700292653002300299653001800322653001400340653001500354653003000369100001800399700004000417700002000457700001700477700002600494700002300520700002200543700002100565700002400586700002600610700003200636700002300668700001900691700003100710700002700741856012300768       2024                        eng d  a0939-475300aCirculatory levels of lysophosphatidylcholine species in obese adolescents: Findings from cross-sectional and prospective lipidomics analyses0 aCirculatory levels of lysophosphatidylcholine species in obese a  cJUL  a1807-18160 v3410aAdolescent obesity10aAsian Indians10abiomarker10aLipidomics10aLysophosphatidyl- choline1 aSharma, Sapna1 aSubrahmanyam, Yalamanchili, Venkata1 aRanjani, Harish1 aSidra, Sidra1 aParmar, Dharmeshkumar1 aVadivel, Sangeetha1 aKannan, Shanthini1 aGrallert, Harald1 aUsharani, Dandamudi1 aAnjana, Ranjit, Mohan1 aBalasubramanyam, Muthuswamy1 aMohan, Viswanathan1 aJerzy, Adamski1 aPanchagnula, Venkateswarlu1 aGokulakrishnan, Kuppan  uhttps://library.ncl.res.in/content/circulatory-levels-lysophosphatidylcholine-species-obese-adolescents-findings-cross03451nas a2200433   4500008004100000245014700041210006900188260000900257300000800266490000700274520201300281653002002294653003402314653001702348653002202365653001702387653001502404100001802419700004002437700001702477700002302494700001702517700001702534700002402551700001302575700002002588700002602608700002602634700002102660700003202681700002302713700002302736700001902759700002502778700003102803700002402834700002702858856013202885       2025                        eng d00aPrecision integrated identification of predictive first-trimester metabolomics signatures for early detection of gestational diabetes mellitus0 aPrecision integrated identification of predictive firsttrimester  cNOV   a4340 v243 a<p>
	Background and aimGestational diabetes mellitus (GDM), a common pregnancy-related metabolic disorder, often goes undiagnosed until the second trimester, limiting early intervention opportunities. Given the higher prevalence of GDM in India, there is a critical need to investigate metabolomic biomarkers among Asian Indians, who exhibit greater insulin resistance and are predisposed to developing type 2 diabetes at an earlier age. This study aimed to identify early pregnancy metabolomic signatures predictive of GDM. MethodsAmong 2115 pregnant women from the STratification of Risk of Diabetes in Early pregnancy (STRiDE) study, we performed untargeted metabolomic profiling using UPLC-MS/MS at early pregnancy (&lt; 16 weeks) plasma samples from 100 women-comprising 50 with GDM and 50 normal (without GDM) based on oral glucose tolerance test (OGTT) at 24-28 weeks. Statistical and machine learning approaches, including logistic regression and random forest (RF), were applied to identify GDM-associated metabolites and construct predictive models. Pathway enrichment analysis was conducted using KEGG database annotations. ResultsA total of 49 metabolites were significantly associated with GDM, primarily involving lipid classes such as phosphatidylcholines, sphingomyelins, and triacylglycerols. RF analysis identified a panel of eight metabolites that achieved best predictive performance (AUC 0.880; 95% CI: 0.809-0.951) for GDM. When combined with conventional clinical risk factors, the integrated model showed comparable prediction of GDM with AUC 0.88;: 95% CI: 0.810-0.952). Enrichment analysis highlighted dysregulated pathways including glycerophospholipid and sphingolipid metabolism, autophagy, and insulin resistance. ConclusionThis study demonstrates the utility of early-pregnancy metabolomic profiling for predicting GDM in Indian women. The eight-metabolite panel offers a promising tool for early risk stratification of GDM, warranting validation in diverse populations.</p>
10aFirst trimester10aGestational diabetes mellitus10aIndian women10aMass spectrometry10aMetabolomics10aPrediction1 aSharma, Sapna1 aSubrahmanyam, Yalamanchili, Venkata1 aGupta, Payal1 aVadivel, Sangeetha1 aDeepa, Mohan1 aTandon, Ansh1 aSreedevi, Sreekumar1 aRam, Uma1 aNarad, Priyanka1 aParmar, Dharmeshkumar1 aAnjana, Ranjit, Mohan1 aRaghunathan, Anu1 aBalasubramanyam, Muthuswamy1 aMohan, Viswanathan1 aSengupta, Abhishek1 aAdamski, Jerzy1 aSaravanan, Ponnusamy1 aPanchagnula, Venkateswarlu1 aUsharani, Dandamudi1 aGokulakrishnan, Kuppan  uhttps://library.ncl.res.in/content/precision-integrated-identification-predictive-first-trimester-metabolomics-signatures-early