qNMR

“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)

Juices

“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

“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)

 

Wine

“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

“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)

 

Sake

“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)

 

Vinegar

“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)

 

Spirits

“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)