References to 1H qNMR Applied to Fruit Juices and Alcoholic Beverages


“Validation of quantitative NMR”, F Malz, H Jancke, J Pharm Biomed Anal,  38, 813–823, (2005)

“Quantitative 1H NMR spectroscopy”, S K Bharti, R Roy, Trends in Anal Chem, 35, 5-26 (2012)

“NMR-based plant metabolomics: where do we stand, where do we go?”  H-K Kim, Y-H Choi, R Verpoorte Trends Biotech, 29(6), 267 (2011).

“Universal quantitative NMR analysis of complex natural samples”, C Simmler, J G Napolitano, J B McAlpine, S-N Chen and G F Pauli, Current Opinion Biotech, 25, 51–59 (2014)

“Quantitative 1H NMR: Development and Potential of a Method for Natural Products Analysis” G F Pauli, B U Jaki, D C Lankin, J. Nat. Prod., 68, 133-149 (2005)


“High-Field Proton NMR Studies of Apple Juices”, P S Belton, I Delgadillo, A M Gil, P Roma, F Casuscelli, I J Colquhoun, M J Dennis M Spraul, Mag Res Chem, 35, S52-S60 (1997)

“Quantitative determination of (-)-epicatechin in cider apple juices by 1H NMR”, I Berregi , J I Santos , G del Campo , J I Miranda, Talanta 61 (2003) 139-145

“Use of the 1H Nuclear Magnetic Resonance Spectra Signals from Polyphenols and Acids for Chemometric Characterization of Cider Apple Juices”, G del Campo, J. I Santos, N Iturriza, I Berregi, A Munduate, J Agric Food Chem, 54, 3095−3100 (2006)

“Untargeted NMR-Based Methodology in the Study of Fruit Metabolites”, A P Sobolev, L Mannina, N Proietti, S Carradori, M Daglia, A M Giusti, R Antiochia and D Capitani, Molecules, 20, 4088-4108 (2015)

“Quantitative determination of formic acid in apple juices by 1H NMR spectrometry”, I Berregi, G del Campo, R Caracena, J I Miranda, Talanta, 72, 1049–1053 (2007)

“Tracking the degradation of fresh orange juice and discrimination of orange varieties: An example of NMR in coordination with chemometrics analyses”, C R de Oliveira, R L Carneiro, A G Ferreira, Food Chem, 164, 446–453 (2014)

“Quantitation determination of chlorogenic acid in cider apple juices by 1H NMR spectrometry”, I Berregi, J I Santos, G del Campo, J I Miranda, J M Aizpurua, Anal Chim Acta, 486, 269–274 (2003)

“NMR-based multi parametric quality control of fruit juices: SGF profiling”, M Spraul, B Schuetz, P Rinke, S Koswig, E Humpfer, H Schaefer, Nutrients, 1, 148 (2009)

“Evolving window zone selection method followed by independent component analysis as useful chemometric tools to discriminate between grapefruit juice, orange juice and blends”, M Cuny, G Le Gall, I J Colquhoun, M Lees, D N Rutledge, Anal Chim Acta, 597, 203 (2007)

“Fast NMR juice identification based on sugars and other plant metabolites from fruits”, M Balan, A Nicolescu, C Deleanu, C Stavarache, M Ciobanu, Rev Roum Chim, 58(2-3), 175-182 (2013)


Adjuncts – Hops, Malt, Honey

“Detection of honey adulteration by sugar syrups using one-dimensional and two-dimensional high-resolution nuclear magnetic resonance”, D Bertelli, M Lolli, G Papotti, L Bortolotti, G Serra, M Plessi, J Agric Food Chem, 58, 8495 (2010)

“Identification of components of Brazilian honey by H NMR and classification of its botanical origin by chemometric methods”, E F Boffo, L A Tavares, A C T Tobias, M M C Ferreira, A G Ferreira, LWT – Food Sci Tech, 49, 55-63 (2012)

“Fast and global authenticity screening of honey using 1H-NMR profiling”, M Spiteri, E Jamin, F Thomas, A Rebours, M Lees, K M Rogers, D N Rutledge, Food Chem, 189, 60-66 (2015)

“Characterization of Markers of Botanical Origin and Other Compounds Extracted from Unifloral Honeys”, E Schievano, E Morelato, C Facchin, S Mammi, J Agric Food Chem, 61(8), 1747-1755 (2013)

“NMR Characterization of Saccharides in Italian Honeys of Different Floral Sources”, R Consonni, L R Cagliani, C Cogliati, J Agric Food Chem, 60(18), 4526-4534 (2012)

“An improved NMR method for the quantification of alpha-acids in hops and hop products”, A C Hoek, A C Hermans-Lokkerbol, R Verpoorte, Phytochem Anal, 12(1), 53-57 (2001)

“Characterization of reduced iso-α-acids derived from hops (Humulus lupulus) by NMR”, L I Nord, S B Sørensen, J Ø Duus, Magn Reson Chem, 41(9), 660-670 (2003)



“Cider, hard and sweet: history, traditions, and making your own”, Ben Watson, 2nd ed, Countryman Press, 2009

“Cider making, using & enjoying sweet and hard cider”, Annie Proulx & Lew Nichols, 3rd Ed, Storey Publishing, 2003

“The new cider maker’s handbook: a comprehensive guide for craft producers”, Claude Jolicoeur, Chelsea Green Publishing, 2013

“Quantitative analysis of malic and citric acids in fruit juices using proton nuclear magnetic resonance spectroscopy”, G del Campo, I Berregi, R Caracena, J I Santos, Anal Chim Acta, 556, 462–468 (2006)

“Quantitative determination of lactic and acetic acids in cider by 1H NMR spectrometry”, A Zuriarrain, J Zuriarrain, A I Puertas, M T Dueñas, I Berregi, Food Control, 52, 49–53 (2015)

“Glycerol metabolism in Lactobacillus collinoides: production of 3-hydroxypropionaldehyde, a precursor of acrolein”, Nicolas Sauvageot , Kamila Gouffi, Jean-Marie Laplace, Yanick Auffray, Int J Food Microbiol 55, 167–170, (2000)

“Glycerol metabolism and bitterness producing lactic acid bacteria in cidermaking”, G Garai-Ibabe, I Ibarburu , I Berregi , O Claisse , A Lonvaud-Funel , A Irastorza , MT Dueñas, Int J Food Microbiol, 121, 253–261, (2008)

“Quantitative determination of ethanol in cider by 1H NMR spectrometry”, A Zuriarrain, J Zuriarrain , M Villar ,I Berregi, Food Control, 50, 758-762, (2015)



“Application of One- and Two-Dimensional NMR Spectroscopy for the Characterization of Protected Designation of Origin Lambrusco Wines of Modena”, G Papotti, D Bertelli, R Graziosi, M Silvestri, L Bertacchini, C Durante, and M Plessi, J Agric Food Chem, 61, 1741-1746 (2013)

“NMR metabolite fingerprinting in grape derived products: An overview”, C Fotakis, K Kokkotou, P Zoumpoulakis, M Zervou, Food Res Int, 54, 1184–1194 (2013)

“NMR spectroscopy evaluation of direct relationship between soils and molecular composition of red wines from Aglianico grapes”, P Mazzei, N Francesca, G Moschetti , A Piccolo, Analytica Chimica Acta 673 (2010) 167–172

“NMR investigation of acrolein stability in hydroalcoholic solution as a foundation for the valid HS-SPME/GC–MS quantification of the unsaturated aldehyde in beverages”, M Kächele, Y B Monakhova, T Kuballa, D W Lachenmeier, Anal Chim Acta, 820, 112–118 (2014)

“Wine science in the metabolomics era”, M E Alañón, M S Pérez-Coello, M L Marina, Trends Anal Chem, 74, 1–20 (2015)

“Amino acid uptake by wild and commercial yeasts in single fermentations and co-fermentations”, N Barrajón-Simancas, E Giese, M Arévalo-Villena, J Úbeda , A Briones, Food Chem, 127, 441–446 (2011)

“Chemical Profile of White Wines Produced from ‘Greco bianco’ Grape Variety in Different Italian Areas by Nuclear Magnetic Resonance (NMR) and Conventional Physicochemical Analyses”, M Caruso, F Galgano, M A C Morelli, L Viggiani, L Lencioni, B Giussani, F Favati, J Agric Food Chem, 60, 7-15 (2012)

“Metabolomic by 1H NMR Spectroscopy Differentiates “Fiano Di Avellino” White Wines Obtained with Different Yeast Strains”, P Mazzei, R Spaccini, N Francesca, G Moschetti, A Piccolo, J Agric Food Chem, 61, 10816-10822 (2013)

“An exploratory chemometric study of 1H NMR spectra of table wines”, F H Larsen, F van den Berg, S B Engelsen, J. Chemometrics, 20, 198-208 (2006)

“Sensory attributes of wine influenced by variety and berry shading discriminated by NMR metabolomics”, S Rochfort , V Ezernieks , S E P Bastian , M O Downey. Food Chem, 121, 1296–1304 (2010)

“Metabolic Influence of Botrytis cinerea Infection in Champagne Base Wine”, Y-S Hong, C Cilindre, G Liger-Belair, P Jeandet, N Hertkorn, P Schmitt-Kopplin, J Agric Food Chem, 59, 7237-7245 (2011)

“A Thorough Study on the Use of Quantitative 1H NMR in Rioja Red Wine Fermentation Processes”, E Lopez-Rituerto, S Cabredo, M Lopez, A Avenoza, J H Busto, J M Peregrina, J Agric Food Chem, 57, 2112–2118 (2009)

“Comparison of Gas Chromatography-Coupled Time-of-Flight Mass Spectrometry and 1H Nuclear Magnetic Resonance Spectroscopy Metabolite Identification in White Wines from a Sensory Study Investigating Wine Body”, K Skogerson, R Runnebaum, G Wohlgemuth, J De ROPP, H Heymann, O Fiehn, J Agric Food Chem, 57(15), 6899-6907 (2009)

“Metabolomic Characterization of Malolactic Fermentation and Fermentative Behaviors of Wine Yeasts in Grape Wine” H-S Son, G-S Hwang, W-M Park, Y-S Hong, AND C-H Lee, J Agric Food Chem, 57(11), 4801-4809 (2009)

 “1H nuclear magnetic resonance-based metabolomic characterization of wines by grape varieties and production areas”, H-S Son, K-M Kim, F Van den Berg, G-S Hwang , W-M Park, C-H Lee, J Agric Food Chem, 56, 8007 (2008)

“Metabolomic studies on geographical grapes and their wines using 1H NMR analysis coupled with multivariate statistics”, H-S Son, G-S Hwang, KM Kim, H-J Ahn, W-M Park, F Van Den Berg, J Agric Food Chem, 57, 1481 (2009)

“Use of modern nuclear magnetic resonance spectroscopy in wine analysis: determination of minor compounds”, I J Kosir, J Kidric, Anal Chim Acta, 458, 77 (2002)

“Chemometric classification of Apulian and Slovenian wines using 1H NMR and ICP-OES together with HPICE data”, M A Brescia, I J Kosir, V Caldarola, J Kidric, A Sacco, J Agric Food Chem, 51, 21 (2003)

“Characterization of wines by nuclear magnetic resonance: a work study on wines from the Basilicata region in Italy”, L Viggiani, M A C Morelli, J Agric Food Chem, 56, 8273 (2008)

“Classification of wines based on combination of 1H NMR spectroscopy and principal component analysis”, Y-Y Du, G-Y Bai, X Zhang, M-L Liu, Chin J Chem, 25, 930 (2007)

1H NMR-based metabonomics for the classification of Greek wines according to variety, region, and vintage. Comparison with HPLC data”, M Anastasiadi, A Zira, P Magiatis, S A Haroutounian, A L Skaltsounis, E Mikros, J Agric Food Chem, 57, 11067 (2009)

1H NMR and chemometrics to characterize mature grape berries in four wine- growing areas in Bordeaux, France, G E Pereira, J P Gaudillere, C Van Leeuwen, G Hilbert, O Lavialle, M Maucourt, J Agric Food Chem, 53, 6382 (2005)

 “1H NMR-based metabolomic approach for understanding the fermentation behaviors of wine yeast strains”, H-S Son, G-S Hwang, KM Kim, E-Y Kim, F van den Berg, W-M Park, Anal Chem, 81, 1137 (2009)

“Generalized 2D-correlation NMR analysis of a wine fermentation”, G M Kirwan, S Clark, N W Barnett, J O Niere, M J Adams, Anal Chim Acta, 629, 128 (2008)

Time course of the evolution of malic and lactic acids in the alcoholic and malolactic fermentation of grape must by quantitative 1H NMR (qHNMR) spectroscopy”, A Avenoz, J H Busto, N Canal, J M Peregrina, J Agric Food Chem, 54, 4715 (2006)

“NMR-based metabolomics in wine science”, Y-S Hong, Magn Reson Chem, 49, S13 (2011)

“High- resolution NMR and diffusion-ordered spectroscopy of port wine”, M Nilsson, I F Duarte, C Almeida, I Delgadillo, B J Goodfellow, A M Gil, J Agric Food Chem, 52, 3736 (2004)

 “Quantitative NMR spectroscopy of binary liquid mixtures (aldehyde + alcohol) Part I: Acetaldehyde + (methanol or ethanol or 1-propanol)”, S Jaubert, G Maurer, J Chem Thermo 68, 332–342 (2014)



“Beer metabolomics: molecular details of the brewing process and the differential effects of late and dry hoppinng on yeast purine metabolism”, A R Spevacek, K H Benson, C W Bamforth, C M Slupsky, J. Inst. Brew., 122 21-28 (2016)

“Composition of beer by 1H NMR spectroscopy: effects of brewing site and date of production”, C Almeida, I F Duarte, A Barros, J Rodrigues, M Spraul, A M Gil, J Agric Food Chem, 54, 700 (2006)

“Multivariate analysis of NMR and FTIR data as a potential tool for the quality control of beer “, I F Duarte, A Barros, C Almeida, M Spraul, A M Gil, J Agric Food Chem, 52, 1031 (2004)

“High-Resolution Nuclear Magnetic Resonance Spectroscopy and Multivariate Analysis for the Characterization of Beer”, Ä I Duarte, A Barros, P S Belton, R Righelato, M Spraul, E Humpfer, A M Gil, J Agric Food Chem, 50, 2475−2481 (2002)

“Quantification of organic acids in beer by nuclear magnetic resonance (NMR)-based methods”, J E A Rodrigues , G L  Erny , A S  Barros , V I  Esteves , T Brandão , A A  Ferreira , E  Cabrita , A M  Gil,  Anal Chim Acta, 674, 166–175 (2010)

“NMR methods for beer characterization and quality control”, J E Rodrigues, A M Gil, Magn Reson Chem, 49, S37–S45 (2011)

“Quality control of beer using high-resolution nuclear magnetic resonance spectroscopy and multivariate analysis”, D W Lachenmeier, W Frank, E Humpfer, H Schafer, S Keller, M Mortter · M Spraul, Eur Food Res Technol, 220, 215–221 (2005)

“Probing beer aging chemistry by nuclear magnetic resonance and multivariate analysis”, J A Rodrigues, A S Barros, B Carvalho, T Brandão, A M Gil,  Anal Chim Acta, 702, 178–187 (2011)

“Quantification of Organic and Amino Acids in Beer by 1H NMR Spectroscopy”, L I Nord, P Vaag, J Ø Duus, Anal Chem, 76 (16), 4790–4798 (2004)

Application of Quantitative Nuclear Magnetic Resonance Spectroscopy to Biological Acidification of Barley Mashes”, A Dicaprio, J C Edwards, J Inst Brewing, 120(3), 207-211 (2014)


Beer Dextrins

“Separation and NMR structural characterisation of singly branched a-dextrins which differ in the location of the branch point”, A Jodelet, N M Rigby, I J Colquhoun, Carb Res, 312, 139-151 (1998)

1H NMR spectroscopy for profiling complex carbohydrate mixtures in non-fractionated beer”  B O Petersen , M Nilsson , M Bøjstrup , O Hindsgaul , S Meier, Food Chem, 150, 65–72 (2014)

“Development of brewing science in (and since) the late 19th century: Molecular profiles of 110–130 year old beers”, A Walther, D Ravasio, F Qin, J Wendlan , S Meier,  Food Chem, 183, 227–234 (2015)

Structural determination of some new oligosaccharides and analysis of the branching pattern of isomaltooligosaccharides from beer”, E Vinogradov, K Bock, Carb Res, 309, 57-64 (1998)

“NMR characterization of chemically synthesized branched a-dextrin model compounds”, B O Petersen, M S Motawie, B Lindberg Møller, O Hindsgaul, S Meier, Carb Res, 403, 149–156 (2105)



“NMR-Based Metabolic Profiling of Rice Wines by F2-Selective Total Correlation Spectra”, M Koda, K Furihata, F Wei, T Miyakawa, M Tanokura, J Agric Food Chem, 60(19), 4818–4825 (2012)



“Traditional balsamic vinegar and balsamic vinegar of Modena analyzed by nuclear magnetic resonance spectroscopy coupled with multivariate data analysis”, G Papotti, D Bertelli, R Graziosia, A Maietti, P Tedeschi, A Marchetti, M Plessi, LWT – Food Sci Tech, 60(2), 1017-1024 (2015)

Identification and quantification of the main organic components of vinegars by high resolution 1H NMR spectroscopy”, A. Caligiani , D. Acquotti , G. Palla , V. Bocchi, Anal Chim Acta, 585,110–119 (2007)

1H NMR studies on Italian balsamic and traditional balsamic vinegars”, R Consonni, A Gatti, J Agric Food Chem, 52, 3446 (2004)

“NMR and chemometric methods: a powerful combination for characterization of Balsamic and Traditional Balsamic Vinegar of Modena”, R Consonni, L R Cagliani, F Benevelli, M Spraul, E Humpfer, M Stocchero, Anal Chim Acta, 611, 31 (2008)



“NMR metabolite profiling of Greek grape marc spirits” C Fotakis , D Christodouleas , K Kokkotou , M Zervou , P Zoumpoulakis , P Moulos , M Liouni , A Calokerinos, Food Chem, 138, 1837–1846 (2013)

“NMR metabolic fingerprinting and chemometrics driven authentication of Greek grape marc spirits”, C Fotakis, M Zervou, Food Chem, 196, 760-768 (2016)

“Rapid Determination of Total Thujone in Absinthe Using 1H NMR Spectroscopy”, Y B Monakhova , T Kuballa, and D W Lachenmeier, Int J Spectroscopy, 2011, Article ID 171684, 5 pages (2011)

“Solute Effects on the Interaction between Water and Ethanol in Aged Whiskey”, A Nose, M Hojo, M Suzuki, T Ueda, J Agric Food Chem, 52(17), 5359–5365 (2004)

“Hydrogen Bonding in Alcoholic Beverages (Distilled Spirits) and Water−Ethanol Mixtures”, A Nose, T Hamasaki, M Hojo, R Kato, K Uehara, T Ueda, J Agric Food Chem, 5(18), 7074–7081 (2005)

“Structurability: A Collective Measure of the Structural Differences in Vodkas”, N Hu, D Wu, K Cross, S Burikov, T Dolenko, S Patsaeva, D W Schaefer, J Agric Food Chem, 58(12), 7394–7401 (2010)

“Rapid Quantification of Ethyl Carbamate in Spirits Using NMR Spectroscopy and Chemometrics”, Y B Monakhova, T Kuballa, Dirk W Lachenmeier, ISRN Anal Chem, 2012, Article ID 989174, 5 pages (2012)

“Authenticity of the Traditional Cypriot Spirit “Zivania” on the Basis of 1H NMR Spectroscopy Diagnostic Parameters and Statistical Analysis”, P Petrakis, I Touris, M Liouni, M Zervou, I Kyrikou, R Kokkinofta, C R Theocharis, T M Mavromoustakos, J Agric Food Chem, 53(13), 5293–5303 (2005)

“Investigation into the structural composition of hydroalcoholic solutions as basis for the development of multiple suppression pulse sequences for NMR measurement of alcoholic beverages”, Y B Monakhova, S P Mushtakova, T Kuballa, D W Lachenmeier, Magn Reson Chem, 52, 755-759 (2014)

“Quantitative 1H NMR Analysis of Egg Yolk, Alcohol, and Total Sugar Content in Egg Liqueurs”, M Hohmann, V Koospal, C Bauer-Christoph, N Christoph, H Wachter, B Diehl, U Holzgrabe, J Agric Food Chem, 63(16), 4112–4119 (2015)