NMR metabolomics

The term NMR metabolomics refers to holistic fingerprinting of target subjects. Samples in this approach are not purified single molecules, but complex mixtures as plant/fungi crude extracts, food products or biofluids like blood and urine. The research question in this case is not to identify every molecule existing in mixture, but to find systematic and statistically reliable differences between them. The number of the samples must be high enough to guarantee the consistency. Samples should be divided into subgroups based on their properties and then the method finds out what are the crucial signals and molecules that make the separation. Typical questions that can be answered are for example:

How the borrelia bacteria infection changes the chemical composition of blood and urine?

How the eating of certain berries affects to the lipid equilibrium of blood plasma?

What happens to the chemical composition of plant in different environmental stress factors?

How the mushrooms at different locations differ from each other?

Academic Research

Publications which involve researchers from the Instrument Centre (since 2014)


Norrbo, Isabella; Carvalho, José M.; Laukkanen, Pekka; Mäkelä, Jaakko; Mamedov, Fikret; Peurla, Markus; Helminen, Hanna; Pihlasalo, Sari; Härmä, Harri; Sinkkonen, Jari ; Lastusaari, Mika. Lanthanide and Heavy Metal Free Long White Persistent Luminescence from Ti Doped Li–Hackmanite: A Versatile, Low-Cost Material. Advanced Functional Materials (2017), DOI: 10.1002/adfm.201606547.

Tian, Ye; Liimatainen, Jaana; Alanne, Aino-Liisa; Lindstedt, Anni; Liu, Pengzhan; Sinkkonen, Jari; Kallio, Heikki; Yang, Baoru. Phenolic compounds extracted by acidic aqueous ethanol from berries and leaves of different berry plants. Food Chemistry (2017), 220, 266-281.

Kortesniemi, Maaria; Sinkkonen, Jari; Yang, Baoru; Kallio, Heikki. NMR metabolomics demonstrates phenotypic plasticity of sea buckthorn (Hippophaë rhamnoides) berries in respect to growth conditions in Finland and Canada. Food Chemistry (2017), 219, 139-147.


Aisala, Heikki; Sinkkonen, Jari; Kalpio, Marika; Sandell, Mari, Hervé, This; Hopia, Anu. In situ quantitative ¹H nuclear magnetic resonance spectroscopy discriminates between raw and steam cooked potato strips based on their metabolites. Talanta (2016), 161, 245-252.

Mäkilä, Leenamaija; Laaksonen, Oskar; Alanne, Aino-Liisa; Kortesniemi, Maaria; Kallio, Heikki; Yang, Baoru. Stability of Hydroxycinnamic Acid Derivatives, Flavonol Glycosides, and Anthocyanins in Black Currant Juice. Journal of Agricultural and Food Chemistry (2016), 64(22), 4584-4598.

Viira, Birgit; Selyutina, Anastasia; Garcia-Sosa, Alfonso T.; Karonen, Maarit; Sinkkonen, Jari; Merits, Andres; Maran, Uko. Design, discovery, modelling, synthesis, and biological evaluation of novel and small, low toxicity s-triazine derivatives as HIV-1 non-nucleoside reverse transcriptase inhibitors. Bioorganic & Medicinal Chemistry (2016), 24(11), 2519-2529.

Norrbo, Isabella; Gluchowski, Pawel; Hyppanen, Iko; Laihinen, Tero; Laukkanen, Pekka; Makela, Jaakko; Mamedov, Fikret; Santos, Hellen S.; Sinkkonen, Jari; Tuomisto, Minnea; Viinikanoja, Antti; Lastusaari, Mika. Mechanisms of Tenebrescence and Persistent Luminescence in Synthetic Hackmanite Na8Al6Si6O24(Cl,S)2. ACS Applied Materials & Interfaces (2016), 8(18), 11592-11602.

Markelov, Denis A.; Matveev, Vladimir V.; Ingman, Petri; Nikolaeva, Marianna N.; Penkova, Anastasia V.; Lähderanta, Erkki; Boiko, Natalia I.; Chizhik, Vladimir I. Unexpected Temperature Behavior of Polyethylene Glycol Spacers in Copolymer Dendrimers in Chloroform. Scientific Reports (2016), 6, 24270.


Yang, Wei; Alanne, Aino-Liisa; Liu, Pengzhan; Kallio, Heikki; Yang, Baoru. Flavonol glycosides in currant leaves and variation with growth season, growth location, and leaf position. Journal of Agricultural and Food Chemistry (2015), 63(42), 9269-9276.

Al-Sayed, Eman; Abdel-Daim, Mohamed M.; Kilany, Omnia E.; Karonen, Maarit; Sinkkonen, Jari. Protective role of polyphenols from Bauhinia hookeri against carbon tetrachloride-induced hepato- and nephrotoxicity in mice. Renal Failure (2015), 37(7), 1198-1207.

Norrbo, Isabella; Gluchowski, Pawel; Paturi, Petriina; Sinkkonen, Jari; Lastusaari, Mika. Persistent Luminescence of Tenebrescent Na8Al6Si6O24(Cl,S)2: Multifunctional Optical Markers. Inorganic Chemistry (2015), 54(16), 7717-7724.

Tuominen, Anu; Sinkkonen, Jari; Karonen, Maarit; Salminen, Juha-Pekka. Sylvatiins, acetylglucosylated hydrolysable tannins from the petals of Geranium sylvaticum show co-pigment effect. Phytochemistry (2015), 115, 239-251.

Kortesniemi, Maaria; Vuorinen, Anssi L.; Sinkkonen, Jari; Yang, Baoru; Rajala, Ari; Kallio, Heikki. NMR metabolomics of ripened and developing oilseed rape (Brassica napus) and turnip rape (Brassica rapa). Food Chemistry (2015), 172, 63-70.

Bakare, Fatimat Oluwatoyin; Åkesson, Dan; Skrifvars, Mikael; Bashir, Tariq; Ingman, Petri; Srivastava, Rajiv. Synthesis and characterization of unsaturated lactic acid based thermoset bio-resins. European Polymer Journal (2015), 67, 570-582.

Markelov, Denis A.; Falkovich, Stanislav G.; Neelov, Igor M.; Ilyash, Maxim Yu.; Matveev, Vladimir V.; Lähderanta, Erkki; Ingman, Petri; Darinskii, Anatolii A. Molecular dynamics simulation of spin-lattice NMR relaxation in poly-L-lysine dendrimers: manifestation of the semiflexibility effect. Physical Chemistry Chemical Physics (2015), 17(5), 3214-3226.


Liu, Liwei; Jokela, Jouni; Herfindal, Lars; Wahlsten, Matti; Sinkkonen, Jari; Permi, Perttu; Fewer, David P.; Doeskeland, Stein Ove; Sivonen, Kaarina. 4-Methylproline guided natural product discovery: co-occurrence of 4-hydroxy- and 4-methylprolines in nostoweipeptins and nostopeptolides. ACS Chemical Biology (2014), 9(11), 2646-2655.

Liu, Pengzhan; Lindstedt, Anni; Markkinen, Niko; Sinkkonen, Jari; Suomela, Jukka-Pekka; Yang, Baoru. Characterization of Metabolite Profiles of Leaves of Bilberry (Vaccinium myrtillus L.) and Lingonberry (Vaccinium vitis-idaea L.). Journal of Agricultural and Food Chemistry (2014), 62(49), 12015-12026.

Shunmugam, Sumathy; Jokela, Jouni; Wahlsten, Matti; Battchikova, Natalia; Rehman, Ateeq Ur; Vass, Imre; Karonen, Maarit; Sinkkonen, Jari; Permi, Perttu; Sivonen, Kaarina; Aro, Eva-Mari; Allahverdiyeva, Yagut. Secondary metabolite from Nostoc XPORK14A inhibits photosynthesis and growth of Synechocystis PCC 6803. Plant, Cell and Environment (2014), 37(6), 1371-1381.

Kaczor, Agnieszka A.; Pihlaja, Kalevi; Sinkkonen, Jari; Wiinamäki, Kirsti; Kronbach, Christiane; Unverferth, Klaus; Wrobel, Tomasz; Stachal, Tomasz; Matosiuk, Dariusz. Synthesis and molecular docking of indole and carbazole derivatives with potential pharmacological activity. Heterocyclic Communications (2014), 20(2), 103-109.

Lindstedt, Anni; Jarvinen, Riikka; Sinkkonen, Jari; Lehtonen, Henna-Maria; Graca, Goncalo; Viitanen, Matti; Gil, Ana M.; Kallio, Heikki. Postprandial response on fatty meal is affected by sea buckthorn (Hippophae rhamnoides) supplementation: NMR metabolomics study. Food Research International (2014), 58, 23-34.

Tirri, Teija; Aubert, Melanie; Pawelec, Weronika; Wilen, Carl-Eric; Pfaendner, Rudolf; Hoppe, Holger; Roth, Michael; Sinkkonen, Jari. Preparation and characterization of bis-[1,3,5]triazinyl diazenes and their utilization as flame retardants in polypropylene films. Journal of Applied Polymer Science (2014), 131(12), 40413/1-40413/9.

Kaczor, Agnieszka A.; Karczmarzyk, Zbigniew; Fruzinski, Andrzej; Pihlaja, Kalevi; Sinkkonen, Jari; Wiinamäki, Kirsti; Kronbach, Christiane; Unverferth, Klaus; Poso, Antti; Matosiuk, Dariusz. Structural studies, homology modeling and molecular docking of novel non-competitive antagonists of GluK1/GluK2 receptors. Bioorganic & Medicinal Chemistry (2014), 22(2), 787-795.

Kisonen, Victor; Xu, Chunlin; Eklund, Patrik; Lindqvist, Hanna; Sundberg, Anna; Pranovich, Andrey; Sinkkonen, Jari; Vilaplana, Francisco; Willfor, Stefan. Cationised O-acetyl galactoglucomannans: Synthesis and characterization. Carbohydrate Polymers (2014), 99, 755-764.

Kortesniemi, Maaria; Sinkkonen, Jari; Yang, Baoru; Kallio, Heikki. 1H NMR spectroscopy reveals the effect of genotype and growth conditions on composition of sea buckthorn (Hippophae rhamnoides L.) berries. Food Chemistry (2014), 147, 138-146.

Matveev, Vladimir V.; Markelov, Denis A.; Brui, Ekaterina A.; Chizhik, Vladimir I.; Ingman, Petri; Lähderanta, Erkki. 13C NMR relaxation and reorientation dynamics in imidazolium-based ionic liquids: revising interpretation. Physical Chemistry Chemical Physics (2014), 16(22), 10480-10484.