All Stories

  1. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties
  2. Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography
  3. The influence of the stereochemistry and C-end chemical modification of dermorphin derivatives on the peptide-phospholipid interactions
  4. Spontaneous Stereoselective Oxidation of Crystalline Avermectin B1a to Its C-8a-(S)-Hydroperoxide
  5. Application of new covalently-bound diglycolamide sorbent in sequential injection analysis flow system for sample pretreatment in ICP-MS determination of 239Pu at ppt level
  6. New cocrystals of apremilast
  7. Explaining crystallization preferences of two polyphenolic diastereoisomers by crystal structure prediction
  8. π-Philic Molecular Recognition in the Solid State as a Driving Force for Mechanochemical Formation of Apremilast Solvates and Cocrystals
  9. Applications of crystal structure prediction – organic molecular structures: general discussion
  10. Approach toward the Understanding of Coupling Mechanism for EDC Reagent in Solvent-Free Mechanosynthesis
  11. Spontaneous Keto-Enol Tautomerization in the Crystal Lattice Visualized with the Help of Water Encapsulated in Hydrophilic Reservoirs
  12. Trimeric and Tetrameric A-Type Procyanidins from Peanut Skins
  13. Experimental tests for quality validation of computationally predicted crystal structures – a case of a conformationally flexible procyanidin A-2 dihydrate
  14. A Multi-Technique Experimental and Computational Approach To Study the Dehydration Processes in the Crystals of Endomorphin Opioid Peptide Derivative
  15. Effects of Geum urbanum L. root extracts and its constituents on polymorphonuclear leucocytes functions. Significance in periodontal diseases
  16. On the conformation of the actinide-selective hydrophilic SO3-Ph-BTP ligand in aqueous solution. A computational study
  17. Caffeic acid derivatives isolated from the aerial parts of Galinsoga parviflora and their effect on inhibiting oxidative burst in human neutrophils
  18. Computational and experimental study of reversible hydration/dehydration processes in molecular crystals of natural products – a case of catechin
  19. Conformational equilibria in selected A-type trimeric procyanidins
  20. 1H and13C NMR-based sugar profiling with chemometric analysis and antioxidant activity of herbhoneys and honeys
  21. One new and six known triterpene xylosides from Cimicifuga racemosa: FT-IR, Raman and NMR studies and DFT calculations
  22. Detection of Drug Active Ingredients by Chemometric Processing of Solid-State NMR Spectrometry Data—The Case of Acetaminophen
  23. Bioactivity-Guided Fractionation for the Butyrylcholinesterase Inhibitory Activity of Furanocoumarins fromAngelica archangelicaL. Roots and Fruits
  24. 13C CPMAS NMR studies and DFT calculations of triterpene xylosides isolated from Actaea racemosa
  25. Novel and unusual triterpene from Black Cohosh. Determination of structure of 9,10-seco-9,19-cyclolanostane xyloside (cimipodocarpaside) by NMR, IR and Raman spectroscopy and DFT calculations
  26. Molecular structure of actein: 13C CPMAS NMR, IR, X-ray diffraction studies and theoretical DFT–GIAO calculations