All Stories

  1. A Lightweight Beryllium Metal–Organic Framework for Combined Physical and Chemical Hydrogen Storage
  2. The AI-based phase-seeding (AI-PhaSeed) method: early applications and statistical analysis
  3. Ammonia Borane and Hydrazine Bis(borane) Confined within Zirconium Bithiazole and Bipyridyl Metal–Organic Frameworks as Chemical Hydrogen Storage Materials
  4. Graphene oxide variations in NiGraf during OER: structural dynamics of nickel-based electrocatalysts for enhanced water electrolysis
  5. DypB peroxidase for aflatoxin removal: New insights into the toxin degradation process
  6. NiGraf: a new nickel-based molecularly doped metal for enhanced water electrolysis
  7. Direct Band Gap Chalcohalide Semiconductors: Quaternary AgBiSCl2 Nanocrystals
  8. New features of the RootProf program for model-free analysis of unidimensional profiles
  9. Towards the extraction of the crystal cell parameters from pair distribution function profiles
  10. Unveiling the Influence of Hydrated Deep Eutectic Solvents on the Dynamics of Water–Soluble Proteins
  11. Mixed Valence of Bismuth in Hexagonal Chalcohalide Nanocrystals
  12. Stretching the chains: the destabilizing impact of Cu2+ and Zn2+ ions on K48-linked diubiquitin
  13. Crystal Structure of the Human Copper Chaperone ATOX1 Bound to Zinc Ion
  14. The role of cytochrome c in the chromate reduction by Rhodobacter sphaeroides
  15. Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals
  16. Multivariate versus traditional quantitative phase analysis of X-ray powder diffraction and fluorescence data of mixtures showing preferred orientation and microabsorption
  17. Colloidal Bismuth Chalcohalide Nanocrystals
  18. Colloidal Bismuth Chalcohalide Nanocrystals
  19. Stable CsPbBr3 Nanoclusters Feature a Disk-like Shape and a Distorted Orthorhombic Structure
  20. Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase
  21. Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
  22. Multivariate Analysis Applications to Crystallography
  23. Multivariate Analysis Applications in X-ray Diffraction
  24. Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor
  25. Investigating temperature-induced structural changes of lead halide perovskites by in situ X-ray powder diffraction
  26. Oxidation of Human Copper Chaperone Atox1 and Disulfide Bond Cleavage by Cisplatin and Glutathione
  27. New Hints on the Maya Blue Formation Process by PCA‐Assisted In Situ XRPD/PDF and Optical Spectroscopy
  28. Mechanistic and Structural Basis for Inhibition of Copper Trafficking by Platinum Anticancer Drugs
  29. Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes
  30. Optimization of Vapor Diffusion Conditions for Anti-CD20 Crystallization and Scale-Up to Meso Batch
  31. CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment
  32. The Crystal Structure of N-[(2E)-3-(4-Chlorophenyl)prop-2-en-1-yl]-4-methoxy-N-methylbenzenesulfonamide
  33. Light-Induced Formation of Pb3+ Paramagnetic Species in Lead Halide Perovskites
  34. Hydrogel Composite Membranes Incorporating Iron Oxide Nanoparticles as Topographical Designers for Controlled Heteronucleation of Proteins
  35. Enzyme Crystals and Hydrogel Composite Membranes as New Active Food Packaging Material
  36. Connecting the solution chemistry of PbI2 and MAI: a cyclodextrin-based supramolecular approach to the formation of hybrid halide perovskites
  37. Improved multivariate analysis for fast and selective monitoring of structural dynamics by in situ X-ray powder diffraction
  38. Principal component analysis for automatic extraction of solid-state kinetics from combined in situ experiments
  39. Dynamic characterization of structural changes in vapochromic compounds by pair distribution function
  40. Enniatin and Beauvericin Biosynthesis in Fusarium Species: Production Profiles and Structural Determinant Prediction
  41. Study of drying process on starch structural properties and their effect on semolina pasta sensory quality
  42. Triphenylphosphane Pt(II) complexes containing biologically active natural polyphenols: Synthesis, crystal structure, molecular modeling and cytotoxic studies
  43. Oxaliplatin Binding to Human Copper Chaperone Atox1 and Protein Dimerization
  44. Static and Dynamical Structural Investigations of Metal‐Oxide Nanocrystals by Powder X‐ray Diffraction: Colloidal Tungsten Oxide as a Case Study
  45. Rational design of the solid-state synthesis of materials based on poly-aromatic molecular complexes
  46. Bioinspired Synthesis of CaCO3Superstructures through a Novel Hydrogel Composite Membranes Mineralization Platform: A Comprehensive View
  47. Tailored multivariate analysis for modulated enhanced diffraction
  48. Shape-control by microwave-assisted hydrothermal method for the synthesis of magnetite nanoparticles using organic additives
  49. Crystal structure determination and refinementviaSIR2014
  50. Chemical selectivity in structure determination by the time dependent analysis of in situ XRPD data: a clear view of Xe thermal behavior inside a MFI zeolite
  51. A novel congenital dysprothrombinemia leading to defective prothrombin maturation
  52. How a β-d-Glucoside Side Chain Enhances Binding Affinity to Thrombin of Inhibitors Bearing 2-Chlorothiophene as P1 Moiety: Crystallography, Fragment Deconstruction Study, and Evaluation of Antithrombotic Properties
  53. Protein phasing at non-atomic resolution by combining Patterson andVLDtechniques
  54. RootProf: software for multivariate analysis of unidimensional profiles
  55. Crystal structure of thrombin in complex with a novel tetra-O-acetyl-glucopyranoside-conjugated potent inhibitor
  56. A combined approach for characterisation of fresh and brined vine leaves by X-ray powder diffraction, NMR spectroscopy and direct infusion high resolution mass spectrometry
  57. Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor
  58. Tailored Hydrogel Membranes for Efficient Protein Crystallization
  59. Synthesis and Biological Evaluation of Direct Thrombin Inhibitors Bearing 4-(Piperidin-1-yl)pyridine at the P1 Position with Potent Anticoagulant Activity
  60. A Molecular Dynamics Simulation-Based Interpretation of Nuclear Magnetic Resonance Multidimensional Heteronuclear Spectra of α-Synuclein·Dopamine Adducts
  61. Cobalt binding in the photosynthetic bacterium R. sphaeroides by X-ray absorption spectroscopy
  62. Protein crystallography and fragment-based drug design
  63. Structure of MMP3 complexed with NNGH inhibitor.
  64. Multivariate analysis of quaternary carbamazepine–saccharin mixtures by X-ray diffraction and infrared spectroscopy
  65. Structure of MMP3 complexed with a platinum-based inhibitor
  66. Structure of MMP3 complexed with a platinum-based inhibitor.
  67. Structure of matrix metalloproteinase-3 with a platinum-based inhibitor
  68. Insights into the polymorphism of glycine: membrane crystallization in an electric field
  69. Structural analysis of protein Z gene variants in patients with foetal losses
  70. On the use of theCmap in Patterson deconvolution procedures
  71. Local Fluctuations and Conformational Transitions in Proteins
  72. C0264 Protein Z mutations in patients with fetal losses: Structural analysis
  73. Corrigendum to “Common Structural Traits across Pathogenic Mutants of the Human Prion Protein and Their Implications for Familial Prion Diseases” [J. Mol. Biol. 411 (2011) 700–712]
  74. Selecting the Desired Solid Form by Membrane Crystallizers: Crystals or Cocrystals
  75. Untangling diffraction intensity: modulation enhanced diffraction on ZrO2powder
  76. Patterson selectivity by modulation-enhanced diffraction
  77. SIR2011: a new package for crystal structure determination and refinement
  78. Computational studies on a new cationic peroxidase isoenzyme from artichoke leaves
  79. Automatic α-helix identification in Patterson maps
  80. Common Structural Traits across Pathogenic Mutants of the Human Prion Protein and Their Implications for Familial Prion Diseases
  81. Kinematic diffraction on a structure with periodically varying scattering function
  82. Automatic identification of alpha-helices in X-ray diffraction patterns
  83. Purification, biochemical characterization and cloning of a new cationic peroxidase isoenzyme from artichoke
  84. Direct production of carbamazepine–saccharin cocrystals from water/ethanol solvent mixtures by membrane-based crystallization technology
  85. Crystallographic Analysis of Metal‐Ion Binding to Human Ubiquitin
  86. Ribosome-Inactivating Proteins: From Plant Defense to Tumor Attack
  87. New computational tools for H/D determination in macromolecular structures from neutron data
  88. The difference electron density: a probabilistic reformulation
  89. Strangeness enhancements at central rapidity in 40 A GeV/cPb–Pb collisions
  90. Fine Dosage of Antisolvent in the Crystallization of l-Histidine: Effect on Polymorphism
  91. Molecular replacement: the probabilistic approach of the programREMO09and its applications
  92. EDM–DEDM and protein crystal structure solution
  93. Crystal structure solution of small-to-medium-sized molecules at non-atomic resolution
  94. Advances in the EDM–DEDM procedure
  95. The (Fo−Fc) Fourier synthesis: a probabilistic study
  96. Ab initiophasing of proteins with heavy atoms at non-atomic resolution: pushing the size limit of solvable structures up to 7890 non-H atoms in the asymmetric unit
  97. Direct methods and simulated annealing: a hybrid approach for powder diffraction data
  98. Chapter 8. Crystal Structure Determination
  99. Expo2006: A Tool for Powder Crystallography
  100. Expo2006: A Tool for Powder Crystallography
  101. Advances inab initioprotein phasing by Patterson deconvolution techniques
  102. Advances in thefree lunchmethod
  103. The revenge of the Patterson methods. III.Ab initiophasing from powder diffraction data
  104. IL MILIONE: a suite of computer programs for crystal structure solution of proteins
  105. The revenge of the Patterson methods. II. Substructure applications
  106. Expansion dynamics of Pb–Pb collisions at 40AGeV/cviewed by negatively charged hadrons
  107. Use of Patterson-based methods automatically to determine the structures of heavy-atom-containing proteins with up to 6000 non-hydrogen atoms in the asymmetric unit
  108. Transverse dynamics of Pb–Pb collisions at 40AGeV/cviewed by strange hadrons
  109. NA57 Collaboration
  110. The revenge of the Patterson methods. I. Proteinab initiophasing
  111. Molecular replacement: the approach of the programREMO
  112. Enhancement of hyperon production at central rapidity in 158AGeV/cPb–Pb collisions
  113. NA57 Results
  114. Rapidity distributions around mid-rapidity of strange particles in Pb–Pb collisions at 158AGeV/c
  115. Central-to-peripheral nuclear modification factors in Pb–Pb collisions atsNN
  116. Ab initiophasing at resolution higher than experimental resolution
  117. The partial structure with errors: a probabilistic treatment
  118. Phasing at resolution higher than the experimental resolution
  119. Multiplicity of charged particles in Pb–Pb collisions at SPS energies
  120. SIR2004: an improved tool for crystal structure determination and refinement
  121. Search for pentaquarks in WA97 experiment at CERN
  122. Λ and Ω− Polarization in Pb+Pb Collisions at 160 A GeV/c
  123. Automatic structure determination from powder data withEXPO2004
  124. Space-group determination from powder diffraction data: a probabilistic approach
  125. About the efficiency of the early FOMs inab initioprotein phasing
  126. Energy dependence of hyperon production in nucleus–nucleus collisions at SPS
  127. Study of the transverse mass spectra of strange particles in Pb–Pb collisions at 158AGeV/c
  128. THE USE OF GEOMETRICAL INFORMATION IN THE AB-INITIO POWDER STRUCTURE SOLUTION BY DIRECT METHODS
  129. The use of error-correcting codes for the decomposition of a powder diffraction pattern
  130. Ab initioprotein phasing: the Patterson deconvolution method inSIR2002
  131. Towards EXPO2005
  132. Hyperon production at the CERN SPS: results from the NA57 experiment
  133. Hyperon production in 40AGeV/ccollisions from the NA57 experiment
  134. Ab initioprotein phasing at 1.4 Å resolution: the new phasing approach ofSIR2003-N
  135. A systematic procedure for the decomposition of a powder diffraction pattern
  136. Solution of organic crystal structures from powder diffraction by combining simulated annealing and direct methods
  137. First results from the ALICE silicon pixel detector prototype
  138. Hyperon yields in PbPb collisions from NA57 experiment
  139. Results on 40 A GeV/c PbPb collisions from the NA57 experiment
  140. Results on hyperon production from NA57
  141. Simulation of the response of a silicon pixel detector
  142. Centrality dependence of the expansion dynamics in Pb-Pb collisions at 158AGeVc-1
  143. Simulation of the response of the NA57 silicon pixel detector
  144. A fast transition radiation detector for first-level triggering
  145. A fast transition radiation detector for high-energy particles selection and triggering
  146. Probing the specific entropy produced in ultra-relativistic heavy-ion collisions with a silicon pixel multiplicity detector: a simulation study
  147. Hyperon production in proton-lead and lead-lead collisions at 158 GeV/c per nucleon
  148. Direct Methods Versus Electron Diffraction : The First Experiences by SIR97