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NMR

Bruker Neo 500 with accessories for microimaging, diffusion, solid-state, and high-resolution magic-angle spinning experiments. (Sponsored by VR/KFI and KAW.)

Magnet: 11.7 T / 500 MHz, 54 mm UltraShield
Probes: TXI 5mm XYZ-Gradient (1H/13C/15N), BBO 5mm XYZ-Gradient (31P-15N/1H), multinuclear DIF-30 and MIC-5 (1H, 2H/1H, 7Li/1H, 23Na/1H, 13C/1H, 31P/1H), H/X CP-MAS 4mm (1H/31P-15N), E-free CP-MAS 4mm (13C/31P/1H), H/X CP-MAS 2.5mm (1H/31P-15N), TXI HR-MAS 4mm Z-Gradient (1H/13C/31P)

Publications

L. Alves, B. Medronho, A. Filipe, A. Romano, M. G. Rasteiro, B. Lindman, D. Topgaard, I. Davidovich, and Y. Talmon. Revisiting the dissolution of cellulose in H3PO4(aq) through cryo-TEM, PTssNMR and DWS. Carbohydr. Polym. 252, 117122 (2021).

Q. D. Pham, G. Carlström, O. Lafon, E. Sparr, and D. Topgaard. Quantification of the amount of mobile components in intact stratum corneum with natural-abundance 13C solid-state NMR. Phys. Chem. Chem. Phys. 22, 6572-6583 (2020).

N. König, W. Lutz, G. Carlström, T. Zinn, K. D. Knudsen, F. Rise, D. Topgaard, and R. Lund. Spherical micelles with non-spherical cores: effect of chain packing on the micellar shape. Macromolecules 53, 10686-10698 (2020).

D. Topgaard. Diffusion tensor distribution imaging. NMR Biomed. 32, e4066 (2019).

C. Galvagnion, D. Topgaard, K. Makasewicz, A. K. Buell, S. Linse, E. Sparr, and C. M. Dobson. Lipid dynamics and phase transition within α-synuclein amyloid fibrils. J. Phys. Chem. Lett. 10, 7872-7877 (2019).

J. Algotsson, P. Jönsson, J. Forsman, D. Topgaard, and O. Söderman. Intermolecular interactions play a role in the distribution and transport of charged contrast agents in a cartilage model. PLOS One 14, e0215047 (2019).

D. Steer, S. S. W. Leung, H. Meiselman, D. Topgaard, and C. Leal. Structure of lung-mimetic multilamellar bodies with lipid compositions relevant in pneumonia. Langmuir 34, 7561-7574 (2018).

Q. D. Pham, E. H. Mojumdar, G. S. Gooris, J. A. Bouwstra, E. Sparr, and D. Topgaard. Solid and fluid segments within the same molecule of stratum corneum ceramide lipid. Q. Rev. Biophys. 51, e7 (2018).

M. Kang, M. Tujela, A. Centrone, D. Topgaard, and C. Leal. Nanostructured lipid-based films for substrate mediated applications in biotechnology. Adv. Funct. Mater 28, 1704356 (2018).

J. P. de Almeida Martins and D. Topgaard. Multidimensional correlation of nuclear relaxation rates and diffusion tensors for model-free investigations of heterogeneous anisotropic porous materials. Sci. Rep. 8, 2488 (2018).

L. Alves, B. Medronho, A. Filipe, F. E. Antunes, B. Lindman, D. Topgaard, I. Davidovich, and Y. Talmon. New insights on the role of urea on the dissolution and thermally-induced gelation of cellulose in aqueous alkali. Gels 4, 87 (2018).

Q. D. Pham, D. Topgaard, and E. Sparr. Tracking solvents in the skin through atomically resolved measurements of molecular mobility in intact stratum corneum. Proc. Natl. Acad. Sci. USA 114, E112-E121 (2017).

E. H. Mojumdar, Q. D. Pham, D. Topgaard, and E. Sparr. Skin hydration: interplay between molecular dynamics, structure and water uptake in the stratum corneum. Sci. Rep. 7, 15712 (2017).

D. Topgaard. Director orientations in lyotropic liquid crystals: Diffusion MRI mapping of the Saupe order tensor. Phys. Chem. Chem. Phys. 18, 8545-8553 (2016).

Q. D. Pham, S. Björklund, J. Engblom, D. Topgaard, and E. Sparr. Chemical penetration enhancers in stratum corneum - Relation between molecular effects and barrier function. J. Controlled Release 232, 175-187 (2016).

R. Lin, G. Carlström, Q. D. Pham, M. Anderson, D. Topgaard, K. Edler, and V. Alfredsson. Kinetic influence of siliceous reactions on structure formation of mesoporous silica formed via the co-structure directing agent route. J. Phys. Chem. C 120, 3814-3821 (2016).

V. Jagalski, R. Barker, D. Topgaard, T. G. Pomorski, B. Hamberger, and M. Cárdenas. Biophysical study of resin acid effects on phospholipid membrane structure and properties. Biochim. Biophys. Acta, Biomembr. 1858, 2827-2838 (2016).

T. M. Ferreira, R. Sood, R. Bärenwald, G. Carlström, D. Topgaard, K. Saalwächter, P. K. J. Kinnunen, and O. H. S. Ollila. Acyl chain disorder and azelaoyl orientation in lipid membranes containing oxidized lipids. Langmuir 32, 6524-6533 (2016).

J. P. de Almeida Martins and D. Topgaard. Two-dimensional correlation of isotropic and directional diffusion using NMR. Phys. Rev. Lett. 116, 087601 (2016).

L. Alves, B. Medronho, F. E. Antunes, D. Topgaard, and B. Lindman. Dissolution state of cellulose in aqueous systems. 2. Acidic solvents. Carbohydr. Polym. 105, 707-715 (2016).

L. Alves, B. Medronho, F. E. Antunes, D. Topgaard, and B. Lindman. Dissolution state of cellulose in aqueous systems. 1. Alkaline solvents. Cellulose 23, 247-258 (2016).

J. Algotsson, J. Forsman, D. Topgaard, and O. Söderman. Electrostatic interactions are important for the distribution of Gd(DTPA)2- in articular cartilage. Magn. Reson. Med. 76, 500-509 (2016).

D. Topgaard. Isotropic diffusion weighting using a triple-stimulated echo pulse sequence with bipolar gradient pulse pairs. Microporous Mesoporous Mater. 205, 48-51 (2015).

T. Steglich, D. Bernin, A. Moldin, D. Topgaard, and M. Langton. Bran particle size influence on pasta microstructure, water distribution and sensory properties. Cereal Chem. 92, 617-623 (2015).

Q. D. Pham, D. Topgaard, and E. Sparr. Cyclic and linear monoterpenes in phospholipid membranes: Phase behavior, bilayer structure, and molecular dynamics. Langmuir 31, 11067-11077 (2015).

T. M. Ferreira, O. H. S. Ollila, R. Pigliapochi, A. P. Dabkowska, and D. Topgaard. Model-free estimation of the effective correlation time for C-H bond reorientation in amphiphilic bilayers: 1H-13C solid-state NMR and MD simulations. J. Chem. Phys. 142, 044905 (2015).

S. Eriksson, S. Lasič, M. Nilsson, C.-F. Westin, and D. Topgaard. NMR diffusion encoding with axial symmetry and variable anisotropy: Distinguishing between prolate and oblate microscopic diffusion tensors with unknown orientation distribution. J. Chem. Phys. 142, 104201 (2015).

T. Steglich, D. Bernin, M. Röding, M. Nydén, A. Moldin, D. Topgaard, and M. Langton. Microstructure and water distribution of commercial pasta studied by microscopy and 3D magnetic resonance imaging. Food Res. Int. 62, 644-652 (2014).

S. Lasič, F. Szczepankiewicz, S. Eriksson, M. Nilsson, and D. Topgaard. Microanisotropy imaging: quantification of microscopic diffusion anisotropy and orientational order parameter by diffusion MRI with magic-angle spinning of the q-vector. Front. Physics 2, 11 (2014).

S. Gustavsson, L. Alves, B. Lindman, and D. Topgaard. Polarization transfer solid-state NMR: a new method for studying cellulose dissolution. RSC Adv. 4, 31836-31839 (2014).

T. M. Ferreira, D. Topgaard, and O. H. S. Ollila. Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studied with 1H–13C solid-state NMR and molecular dynamics simulations. Langmuir 30, 461-469 (2014).

S. Björklund, J. M. Andersson, A. E. Nowacka, Q. D. Pham, D. Topgaard, and E. Sparr. Stratum corneum molecular mobility in the presence of natural moisturizers. Soft Matter 10, 4535-4546 (2014).

D. Bernin, T. Steglich, M. Röding, A. Moldin, D. Topgaard, and M. Langton. Multi-scale characterization of pasta during cooking using microscopy and real-time magnetic resonance imaging. Food Res. Int. 66, 132-139 (2014).

D. Bernin, V. Koch, M. Nydén, and D. Topgaard. Multi-scale characterization of lyotropic liquid crystals using 2H and diffusion MRI with spatial resolution in three dimensions. PLOS ONE 9, e98752 (2014).

A. Nowacka, N. A. Bongartz, O. H. S. Ollila, T. Nylander, and D. Topgaard. Signal intensities in 1H-13C CP and INEPT MAS NMR of liquid crystals. J. Magn. Reson. 230, 165-175 (2013).

E. Hellstrand, A. Nowacka, D. Topgaard, S. Linse, and E. Sparr. Membrane lipid co-aggregation with α-synuclein fibrils. PLOS ONE 8, e77235 (2013).

T. M. Ferreira, F. Coreta-Gomes, O. H. S. Ollila, M. J. Moreno, W. L. C. Vaz, and D. Topgaard. Cholesterol and POPC segmental order parameters in lipid membranes: Solid state 1H-13C NMR and MD simulation studies. Phys. Chem. Chem. Phys. 15, 1976-1989 (2013).

S. Eriksson, S. Lasič, and D. Topgaard. Isotropic diffusion weighting by magic-angle spinning of the q-vector in PGSE NMR. J. Magn. Reson. 226, 13-18 (2013).

S. Björklund, T. Ruzgas, A. Nowacka, I. Dahi, D. Topgaard, E. Sparr, and J. Engblom. Skin membrane electrical impedance properties under the influence of a varying water gradient. Biophys. J. 104, 2639-2650 (2013).

S. Björklund, A. Nowacka, J. A. Bouwstra, E. Sparr, and D. Topgaard. Characterization of stratum corneum molecular dynamics by natural-abundance 13C solid-state NMR. PLOS ONE 8, e61889 (2013).

A. Nowacka, S. Douezan, L. Wadsö, D. Topgaard, and E. Sparr. Small polar molecules like glycerol and urea can preserve the fluidity of lipid bilayers under dry conditions. Soft Matter 8, 1482-1491 (2012).

S. Lasič, M. Nilsson, J. Lätt, F. Ståhlberg, and D. Topgaard. Apparent exchange rate (AXR) mapping with diffusion MRI. Magn. Reson. Med. 66, 356-365 (2011).

A. Nowacka, P. C. Mohr, J. Norrman, R. W. Martin, and D. Topgaard. Polarization transfer solid-state NMR for studying surfactant phase behavior. Langmuir 26, 16848-16856 (2010).

S. Bulut, I. Åslund, D. Topgaard, H. Wennerström, and U. Olsson. Lamellar phase separation in a centrifugal field. A method for measuring interbilayer forces. Soft Matter 6, 4520-4527 (2010).

C. Leal, S. Rögnvaldsson, S. Fossheim, E. Nilssen, and D. Topgaard. Dynamic and structural aspects of PEGylated liposomes monitored by NMR. J. Colloid Interface Sci. 325, 485-493 (2008).

T. M. Ferreira, B. Medronho, R. W. Martin, and D. Topgaard. Segmental order parameters in a nonionic surfactant lamellar phase studied with 1H-13C solid-state NMR. Phys. Chem. Chem. Phys. 10, 6033-6038 (2008).

Contact

Operationally responsible: Göran Carlström.
Conditions for use: Training is compulsory for unassisted use of the instrument.
Booking: Contact Göran Carlström goran.carlstrom@chem.lu.se, phone 073-4353054.
External users: Contact Daniel Topgaard for information about fees.