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Enhancing detection of low-abundance metabolites in proton NMR through band-selective suppression and presaturation

摘要Metabolomics provides powerful means to analyze metabolite profiles in biological samples,enabling insights into biochemical changes under genetic,environmental,or pathological conditions.Nuclear Magnetic Resonance(NMR)spectroscopy is central to metabolomics,but its utility is often constrained by the strong and overlap-ping resonances of abundant components,such as sugars in plant-and food-derived materials,which obscure signals of lower-abundance metabolites.Here,we introduce a modified NMR acquisition method that increases sensitivity and specificity by selectively suppressing dominant signals,while enhancing weaker metabolite signals across the spectrum.The method integrates water presaturation with excitation sculpting(ES),yielding a robust 1D presat-1 H-ES pulse sequence.Validation on a range of sugar-rich samples demonstrated 2-fourfold signal enhance-ment for low-abundance metabolites compared with conventional 1 H-ES.Multivariate analyses show the method improves reproducibility and discrimination,enabling detection and comparison of low-abundance metabolites not accessible with conventional approaches.'Beyond sugar-rich systems,the method is broadly applicable to other spectral regions where dominant metabolite classes obscure lower-concentration compounds,including primary metabolites and structurally diverse natural products.Overall,the 1D presat-1 H-ES significantly enhances resolution and sensitivity of NMR-based metabolomics,shortens analysis time,and supports more precise profiling for both fun-damental studies and translational applications in metabolomics and natural-products discovery.

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作者 Upendra Singh [1] Renad Z.Al Ahmadi [2] Ruba Al-Nemi [2] Manel Dhahri [3] Mohammed S.Alarawi [4] Abdul Aziz [5] Faisal Abdulaziz Bushulaybi [6] Tamer Abdalla Mashtoly [7] Abdul-Hamid Emwas [8] Lukasz Jaremko [1] Mariusz Jaremko [9] 学术成果认领
作者单位 Department of Biochemistry & Molecular Biology(BMB),Sealy Institute for Drug Discovery(SIDD),University of Texas Medical Branch(UTMB),Galves-ton,TX 77555-1068,USA [1] Division of Biological and Environmental Sciences and Engineering(BESE),King Abdullah University of Science and Technology(KAUST),23955-6900 Thuwal,Makkah,Saudi Arabia [2] Department of Biology,College of Science,Taibah University,Yanbu Governorate,Saudi Arabia [3] Com-putational Bioscience Research Center,KAUST,23955-6900 Thuwal,Makkah,Saudi Arabia [4] National Center for Palms and Dates,Prince Turki Ibn Abdulaziz Al Awwal Rd,Hittin,13512 Riyadh,Saudi Arabia [5] WEQAA Center,Al-Rabwa,12813 Riyadh,Saudi Arabia [6] Plant Protection Department Faculty of Agricul-ture,Ain Shams University,Hadayek Shoubra,P.O 11241,Cairo,Egypt [7] Core Lab of NMR,KAUST,23955-6900 Thuwal,Makkah,Saudi Arabia [8] The Golden Ratio Institute,13244 Riyadh,Saudi Arabia [9]
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DOI 10.1007/s13659-025-00570-3
发布时间 2026-05-09(万方平台首次上网日期,不代表论文的发表时间)
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