Medizinische Universität Graz Austria/Österreich - Forschungsportal - Medical University of Graz
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Martin, L; Klein, W; Schwaminger, SP; Fassler, TF; Berensmeier, S.
Crystal Structure and Spectroscopic Analysis of the Compatible Solute N gamma-Acetyl-L-2,4-Diaminobutyric Acid
CRYSTALS. 2020; 10(12): 1136
Doi: 10.3390/cryst10121136
Web of Science
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- Co-Autor*innen der Med Uni Graz
- Schwaminger Sebastian
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- Abstract:
- Compatible solutes are low molecular weight, highly water-soluble and neutrally net-charged molecules with various protective functionalities that accumulate and are produced in microorganisms. Their multi-purpose functionalities, also adaptable in vitro, make them potential components in healthcare and cosmetic products. One promising but insufficiently examined representative of this molecule class is N gamma-acetyl-L-2,4-diaminobutyric acid (gamma-NADA), the metabolic precursor of ectoine. Here, we demonstrate the crystallization ability of gamma-NADA by using cooling crystallization in aqueous solvents and find that it forms rod-shaped crystals. According to a single crystal structure determination, gamma-NADA is orthorhombic with space group P2(1)2(1)2(1) and a = 5.3647(1), b = 8.3652(2), c = 16.9149(5) angstrom, Z = 4, R-1 = 3.48%, wR(2) = 7.33% (all data). Additionally, gamma-NADA is analyzed via Raman, IR, H-1, and C-13 NMR spectroscopy.
- Find related publications in this database (Keywords)
- compatible solute
- amino acid
- NADA
- (2S)-4-acetamido-2-aminobutanoic acid
- small molecule
- crystallization
- crystal structure
- Raman
- infrared spectroscopy