Spin design teaduslabor
Uurimisrühma juht
Seotud struktuuriüksus
TalTech prioriteetne teadussuund
Ülevaade
Töörühm on seotud mitmete tuumamagnetresonantsi (NMR) valdkonna probleempunktide lahendamisega nii meditsiinis, ökoloogias kui ka uudsetes interdistsiplinaarsetes valdkondades.202e. aastal töötati NMR tehnoloogia ja metaboolse diagnostika arendamisel. Uurimisrühma poolt eelnevatel aastatel välja arendatud rotatsioonitehnoloogia on avanud tehniliselt uued struktuuranalüüsi võimalused tänu H-tuumade spektrijoonte laiuse drastilisele vähenemisele. Nende võimaluste tegelikuks realiseerimiseks on vaja vastavalt välja töötada ka impulssjärjestused ja polarisatsiooniülekanderajad, sealhulgas lahutuse täiendav tõstmine suurtel pöörlemiskiirustel. On alustatud ka elektronresonatsi ja mitmeteljelise pöörlemise arendust. Koostöös partneritega Lätis, Taiwanil ja Poolas uurime optimaalseid mitmedimensionaalse lahutuse saamise meetodeid ni 15N-1H kui 1H-metüül-1H-amiid süsteemides.
Uurimisrühma liige
Doktorant
Danziger, Neeme
Endised liikmed
Klassifikaator (Frascati)
Võtmesõna
Tähtsamad tulemused
2024. a tulemused: Jätkati tööd kolmel teemal: MMR tehnoloogia, keemiline energiasalvestus ja metaboloomika. (1) NMR tehnoloogia alal oli põhiline kiire rotatsiooni turbiinisüsteemi konstruktsiooni optimeerimine ja viimistlemine ning pöörlemistelje ja magnetvälja suuna programmeeritav kontroll ning sünkroniseerimine spektromeetri impulssidega. (2) Energiasalvestuse teemal jätkati tööd anioon-akude arendamisel. Peamine oli siin MgF2, CaF2, SrF2 ja SmF3 juhtivuse parandamine, selle analüütiline modelleerimine ja iseloomustamine erinevate meetoditega. (3) Metaboloomikas oli eesmärgiks prepareerimistehnika satbiliseerimine, iseloomulike spektrite andmebaasi kogumine ja nende interpreteerimisel tehistaibule üleminek.
- Paluch, P., Augustyniak, R., Org, M.-L., Vanatalu, K., Kaldma, A., Samoson, A., Stanek, J. NMR assignment of methyl groups in immobilized proteins using multiple-bond 13C homonuclear transfers, proton detection, and very fast MAS // Frontiers in Molecular Biosciences (2022) Vol. 9, Art. 828785.
https://doi.org/10.3389/fmolb.2022.828785 - Yuan, E. C.-Y., Huang, S.-J., Huang, H.-C., Sinkkonen, J., Oss, A., Org, M.-L., Samoson, A., Tai, H.-C., Chan, J. C. C. Faster magic angle spinning reveals cellulose conformations in woods // Chemical communications (2021) vol. 57, 34, p. 4110−4113.
https://doi.org/10.1039/D1CC01149A - Yan, E.C-Y., Chen, P.-W., Huang, S.-J., Org, M.-L., Samoson, A., Chan, J.C.C. Solid-state heteronuclear multiple-quantum spectroscopy under a magic-angle spinning frequency of 150 kHz // Journal of the Chinese Chemical Society (2022) Vol. 69, Issue 8, p. 1449-1461.
https://doi.org/10.1002/jccs.202200063 - Schledorn, M., Malar, A.A., Torosyan, A., Oss, A., Org, M.-L., Samoson, A. et al. Protein NMR spectroscopy at 150 kHz magic-angle spinning continues to improve resolution and mass sensitivity // Chembiochem : a European journal of chemical biology (2020) vol. 21, 17, p. 2540-2548.
https://doi.org/10.1002/cbic.202000341 - Zhang, Z., Oss, A., Org, M.-L., Samoson, A. et al. Selectively enhanced 1H-1H correlations in proton-detected solid-state NMR under ultrafast MAS conditions // The journal of physical chemistry letters (2020) vol. 11, 19, p. 8077−8083 : ill.
https://doi.org/10.1021/acs.jpclett.0c02412 - Paula, C., Wisser, D., Rangus, M., Vanatalu, K., Oss, A., Org, M.-L., Samoson, A. et al. Phase transformations in porous materials studied by in situ solid-state NMR spectroscopy and in situ X-ray diffraction // The journal of physical chemistry C (2020) vol. 124, 35, p. 19136−19145 : ill.
https://doi.org/10.1021/acs.jpcc.0c05921 - Molaiyan, P., Witter, R. CaF2 solid‐state electrolytes prepared by vapor pressure exposure and solid synthesis for defect and ionic conductivity tuning // Material design & processing communications (2020) vol. 2, 1, art. e76, 6 p. : ill.
https://onlinelibrary.wiley.com/doi/epdf/10.1002/mdp2.76 https://doi.org/10.1002/mdp2.76 - Witter, S., Samoson, A., Vilu, R., Witter, R. Screening of Nutraceuticals and Plant Extracts for Inhibition of Amyloid-β Fibrillation // Journal of Alzheimer's disease (2020) vol. 73, 3, p. 1003-1012 : ill.
https://doi.org/10.3233/JAD-190758 https://www.etis.ee/File/DownloadPublic/bf09dd82-f7d2-45eb-8e71-aac7816291c9?name=JAD_73_2020_1003.pdf&type=application%2Fpdf - Shin, M.-J., Veskioja, T., Titma, T., Samoson, A. Kemeny-Snell distance in nuclear magnetic resonance metabolomics // Applied magnetic resonance (2020) vol. 51, 12, p. 1637−1645.
https://doi.org/10.1007/s00723-020-01282-2 - Shin, M., Titma, T., Ludwig, C., Günther, U.L., Pikta, M., Zemtsovskaja, G., Viigimaa, M., Tanner, R., Samoson, A. The metabolic profile of ishemic heart disease by serum 1H NMR // 2017 Annual Meeting : abstract supplement : late-breaking abstract submissions : 2017, Baltimore. [S.l.] : Society of Toxicology, 2017. p. 154.
https://www.toxicology.org/pubs/docs/Tox/2017ToxSup.pdf - Reddy, M.A., Euchner, H., Witter, R., Clemenscd, O. Structure and electrochemical properties of Na2±xV3P2O13 (x = 0 and 1): a promising cathode material for sodium-ion batteries // Journal of materials chemistry A (2018) vol. 6, 16, p. 6947-6958 : ill.
https://doi.org/10.1039/C8TA00588E - Molaiyan, P., Witter, R. Surface defect‐enhanced conductivity of calcium fluoride for electrochemical applications // Material design & processing communications (2019) vol. 1, 4, art. e44, 10 p. : ill.
https://doi.org/10.1002/mdp2.44 - Mohammad, I., Witter, R. Testing Mg as an anode against BiF 3 and SnF 2 cathodes for room temperature rechargeable fluoride ion batteries // Materials Letters (2019) Vol. 244, p. 159 - 162.
https://doi.org/10.1016/j.matlet.2019.02.052 - Lin, Y.-L., Cheng, Y.-S., Org, M.-L., Oss, A., Samoson, A. et al. Preparation of fibril nuclei of beta-amyloid peptides in reverse micelles // Chemical communications (2018) vol. 54, 74, p. 10459–10462 : ill.
https://doi.org/10.1039/C8CC05882B - Malär, A. A., Smith-Penzel, S., Camenisch, G.-M., Wiegand, T., Samoson, A. et al. Quantifying proton NMR coherent linewidth in proteins under fast MAS conditions : a second moment approach // Physical chemistry chemical physics (2019) vol. 21, 35, p. 18850-18865 : ill.
https://doi.org/10.1039/c9cp03414e - Mohammad, I., Chable, J., Witter, R., Fichtner, M., Reddy, M. A. Synthesis of fast fluoride-ion-conductive fluorite-type Ba1–xSbxF2+x (0.1 ≤ x ≤ 0.4) : a potential solid electrolyte for fluoride-ion batteries // ACS applied materials and interfaces, ACS applied materials & interfaces (2018) 10, 20, p. 17249–17256 : ill.
https://doi.org/10.1021/acsami.8b04108 - Mohammad, I., Witter, R., Fichtner, M., Reddy, M. A. Introducing interlayer electrolytes : toward room-temperature high-potential solid-state rechargeable fluoride ion batteries // ACS Applied Energy Materials (2019) vol. 2, 2, p. 1553–1562 : ill.
https://doi.org/10.1021/acsaem.8b02166 - Samoson, A. H-MAS // Journal of magnetic resonance (2019) vol. 306, p. 167-172 : ill.
https://doi.org/10.1016/j.jmr.2019.07.010 - Sternberg, U., Witter, R., Kuprov, I., Lamley, J.M., Oss, A., Lewandowski, J.R., Samoson, A. 1H line width dependence on MAS speed in solid state NMR - comparison of experiment and simulation // Journal of magnetic resonance (2018) vol. 291, p. 32-39 : ill.
https://doi.org/10.1016/j.jmr.2018.04.003 - Penzel, S., Oss, A., Org, M.-L., Samoson, A. et al. Spinning faster: protein NMR at MAS frequencies up to 126kHz // Journal of biomolecular NMR (2019) vol. 73, 1-2, p. 19−29.
https://doi.org/10.1007/s10858-018-0219-9 - Witter, S., Witter, R., Vilu, R., Samoson, A. Medical plants and nutraceuticals for amyloid-β fibrillation inhibition // Journal of Alzheimer's Disease Reports (2018) vol. 2, 1, p. 239-252 : ill.
http://doi.org/10.3233/ADR-180066 - Feng, G., Zhang, F., Banakar, S., Karlep, L., Li, Z. Analysis of functional gene transcripts suggests active CO2 assimilation and CO oxidation by diverse bacteria in marine sponges // FEMS Microbiology Ecology (2019) Vol. 95, 7, art. fiz087.
https://doi.org/10.1093/femsec/fiz087 - He, L., Karlep, L., Li, Z. The Nitrogen-Cycling Network of Bacterial Symbionts in the Sponge Spheciospongia vesparium // The Journal of Ocean University of China (2021) vol. 20, p. 999–1012.
https://doi.org/10.1007/s11802-021-4530-9 - Titma, T., Shin, M-J., Ludwig, C., Günther, U., Pikta, M., Zemtsovskaja, G., Viigimaa, M., Tanner, R., Samoson, A. The metabolic profile of stable ischemic heart disease by serum 1H NMR // Applied magnetic resonance (2019) vol. 50, 4, p. 527–539 : ill.
https://doi.org/10.1007/s00723-018-1084-0 - Mohammad, I., Cambaz, M.A., Samoson, A., Fichtner, M., Witter, R. Development of in situ high resolution NMR: Proof-of-principle for a new (spinning) cylindrical mini-pellet approach applied to a Lithium ion battery // Solid state nuclear magnetic resonance (2024) vol. 129, art. 101914.
https://doi.org/10.1016/j.ssnmr.2023.101914 - Toleikis, Z., Paluch, P., Kuc, E., Petkus, J., Sulskis, D., Org-Tago, M-L., Samoson, A., Smirnovas, V., Stanek, J., Lends, A. Solid-state NMR backbone chemical shift assignments of α-synuclein amyloid fibrils at fast MAS regime // Biomolecular NMR assignments (2024) vol. 18, 2, p. 181-186.
https://doi.org/10.1007/s12104-024-10186-2 - Schäfer, D., Hankins, K., Allion, M., Krewer, U., Karcher, F., Derr, L., Schuster, R., Maibach, J., Mück, S., Kramer, D., Samoson, A., Witter, R. et al. Multiscale investigation of sodium‐ion battery anodes: analytical techniques and applications // Advanced energy materials (2024) vol. 14, 15, art. 2302830, 37 p.
https://doi.org/10.1002/aenm.202302830