Baias Research Group

Research in the Baias Research Group at New York University Abu Dhabi is focused on developing methods for high-pressure NMR crystallography with the aim of characterizing polymorphism in complex crystalline materials when subjected to high pressure conditions. For this purpose we adopt a combined experimental and computational approach, using as main tools solid-state NMR experiments and computational crystal structure prediction.

  • Invited Talks
  • Contributed Talks
  • Poster Presentations
  • Maria Baias, Anne Lesage, Sonia Augado, Jerome Canivet, Virginie Moizan-Basle, Nathalie Audebrand, David Farrusseng, Lyndon Emsley, Superstructure of a Substituted Zeolitic Imidazolate Metal Organic Framework Determined by Combining Proton Solid-State NMR Spectroscopy and DFT Calculations, Angew. Chem. Int. Ed. 54 (2015) 5971-5976.

    Maria Baias, Jean-Nicolas Dumez, Per H. Svensson, Staffan Schantz, Graeme M. Day, Lyndon Emsley, De novo determination of the crystal structure of a large drug molecule by crystal-structure prediction-based powder NMR crystallography, J. Am. Chem. Soc. 135 (2013) 17501-17507 – highlighted in ACS Chemical and Engineering News.

    Pieter E. E. Smith, Kevin J. Donovan, Or Szekely, Maria Baias, Lucio Frydman, Ultrafast NMR T1 Relaxation Measurements: Probing Molecular Properties in Real Time, Chem. Phys. Chem. 14(13) (2013) 3138-3145.

    Anusree Kuttatheyil, Daniel Laessig, Joerg Lincke, Merten Kobalz, Maria Baias, Harald Krautscheid, Chris J. Pickard, Juergen Hasse, Marko Bertmer, Synthesis, Crystal Structure and Solid State NMR Investigations of Heteronuclear Zn/Co MOFs – A Comparative Study, Inorg. Chem. 52 (2013) 4431-4442.

    Maria Baias, Jean-Nicolas Dumez, Cory M. Widdifield, Timothy G. Cooper, Elodie Salager, Sirena Bassil, Robin S. Stein, Anne Lesage, Graeme M. Day, Lyndon Emsley, Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy, Phys. Chem. Chem. Phys. 15 (2013) 8069-8080 – cover of PCCP and highlighted as HOT PCCP article.

    Luca Mollica, Maria Baias, Jozef R. Lewandowski, Benjamin J. Wylie, Lindsay J. Sperling, Chad M. Rienstra, Lyndon Emsley, Martin Blackledge, Atomic Resolution Structural Dynamics in Crystalline Proteins from NMR and Molecular Simulation, J. Phys. Chem. Lett. 3(23) (2012) 3657-3662.

    Isa Fonseca, Maria Baias, Chris J. Pickard, Sophia Hayes, Marko Bertmer, Effects of aromatic substitution on the photodimerization kinetics of β-trans cinnamic acid derivatives studied with 13C solid-state NMR, J. Phys. Chem. C 116 (2012) 12212-12218.

    N. N. Fathima, M. Baias, B. Bluemich, T. Ramasani, Structure and dynamics of water in native and tanned collagen fibers: effect of crosslinking, Int. J. Biol. Macromol. 47 (2010) 590-596.

    Maria Baias, Science and history explored by nuclear magnetic resonance, Aachen, Shaker Verlag, 2009 – book, PhD thesis

    M. Baias, D. E. Demco, D. Istrate, C. Popescu, B. Bluemich, M. Moeller, Morphology and molecular mobility of fibrous hard α-keratins by 1H, 13C, and 129Xe NMR, J. Phys. Chem. B 113 (2009) 12136-12147.

    M. Baias, D. E. Demco, B. Bluemich, M. Moeller, State of water in hybrid sulfonated poly(ether ether ketone) – silica membranes by 1H solid-state NMR, Chem. Phys. Lett. 473 (2009) 142-145.

    I. Colicchio, D. E. Demco, M. Baias, H. Keul, M. Moeller, Influence of the silica content in SPEEK-silica membranes prepared from the sol-gel process of polyethoxysiloxane: morphology and proton mobility, J. Membr. Science 337 (2009) 125-135.

    Maria Baias, Dan E. Demco, Crisan Popescu, Radu Fechete, Claudiu Melian, Bernhard Bluemich, Martin Moeller, Thermal denaturation of hydrated wool keratin by 1H solid-state NMR, J. Phys. Chem. B 113 (2009) 2184-2192.

    M. Baias, D. E. Demco, I. Colicchio, B. Bluemich, M. Moeller, Proton exchange in hybrid sulfonated poly(ether ether ketone)-silica membranes by 1H solid-state NMR, Chem. Phys. Lett. 456 (2008) 227-230.

    Adrian Pirnau, Vasile Chis, Ovidiu Oniga, Nicolae Leopold, Laszlo Szabo, Maria Baias, Onuc Cozar, Vibrational and DFT study of 5-3-pyridyl-methylidene-thiazolidine-2-thione-4-one, Vibrational Spectroscopy 48 (2008) 289-296.

    Crisan Popescu, Petre Budrugeac, Franz-Josef Wortmann, Lucretia Miu, Dan E. Demco, Maria Baias, Assessment of collagen-based materials that are supports of cultural and historical objects, Polymer Degradation and Stability 93 (2008) 976-982.

    F. Ruehli, T. Boeni, J. Perlo, F. Casanova, M. Baias, E. Egarter, B. Bluemich, Noninvasive spatial tissue discrimination in ancient mummies and bones by in situ portable nuclear magnetic resonance, Journal of Cultural Heritage 8 (2007) 257-263.

    A. Pirnau, V. Chis, M. Baias, O. Cozar, M. Vasilescu, O. Oniga, S. Simon, Experimental and DFT investigation of 5-para-nitro-benziliden-thiazolidin-2thion-4-ona, J. Optoelectron. Adv. M. 9 (2007) 547-550.

    M. Baias, A. Pirnau, V. Chis, O. Cozar, M. Vasilescu, Experimental and theoretical investigation of 5-para-fluoro-benziliden-thiazolidin-2thion-4-ona, J. Optoelectron. Adv. M. 8 (2006) 205-207.

    Mihai A. Voda, Dan E. Demco, Alexandra Voda, Thomas Schauber, Matthias Adler, Thomas Dabisch, Alina Adams, Maria Baias, Bernhard Bluemich, Morphology of thermoplastic polyurethanes by 1H spin-diffusion NMR. Correlation with thermodynamic and mechanical properties, Macromolecules 39 (2006) 4802-4810.

    Marko Bertmer, Dan E. Demco, Mingfei Wang, Claudiu Melian, Ramona I. Marcean-Chelcea, Radu Fechete, Maria Baias, Bernhard Bluemich, Segmental dynamic heterogeneity of shot-chain grafted-poly(dimethylsiloxane) by 1H spin-diffusion NMR, Chem. Phys. Lett. 431 (2006) 404-409.

    O. Cozar, V. Chis, L. David, M. Baias, Experimental and density functional theory investigation on some biomedical compounds, J. Optoelectron. Adv. M. 8 (2006) 164- 171.