All Stories

  1. Deep-learning processing of X-ray powder diffraction profiles to increase their angular resolution
  2. Microwave versus hydrothermal synthesis of Ni–La catalysts for dry reforming of methane: Exploring the structure-activity relationships
  3. Decoding CO2RR selectivity and activity features on a series of well-defined iron single-atom catalysts
  4. A Lightweight Beryllium Metal–Organic Framework for Combined Physical and Chemical Hydrogen Storage
  5. The AI-based phase-seeding (AI-PhaSeed) method: early applications and statistical analysis
  6. Ammonia Borane and Hydrazine Bis(borane) Confined within Zirconium Bithiazole and Bipyridyl Metal–Organic Frameworks as Chemical Hydrogen Storage Materials
  7. Graphene oxide variations in NiGraf during OER: structural dynamics of nickel-based electrocatalysts for enhanced water electrolysis
  8. DypB peroxidase for aflatoxin removal: New insights into the toxin degradation process
  9. NiGraf: a new nickel-based molecularly doped metal for enhanced water electrolysis
  10. Direct Band Gap Chalcohalide Semiconductors: Quaternary AgBiSCl2 Nanocrystals
  11. New features of the RootProf program for model-free analysis of unidimensional profiles
  12. Towards the extraction of the crystal cell parameters from pair distribution function profiles
  13. Unveiling the Influence of Hydrated Deep Eutectic Solvents on the Dynamics of Water–Soluble Proteins
  14. Mixed Valence of Bismuth in Hexagonal Chalcohalide Nanocrystals
  15. Stretching the chains: the destabilizing impact of Cu2+ and Zn2+ ions on K48-linked diubiquitin
  16. Crystal Structure of the Human Copper Chaperone ATOX1 Bound to Zinc Ion
  17. The role of cytochrome c in the chromate reduction by Rhodobacter sphaeroides
  18. Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals
  19. Multivariate versus traditional quantitative phase analysis of X-ray powder diffraction and fluorescence data of mixtures showing preferred orientation and microabsorption
  20. Colloidal Bismuth Chalcohalide Nanocrystals
  21. Colloidal Bismuth Chalcohalide Nanocrystals
  22. Stable CsPbBr3 Nanoclusters Feature a Disk-like Shape and a Distorted Orthorhombic Structure
  23. Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase
  24. Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
  25. Multivariate Analysis Applications to Crystallography
  26. Multivariate Analysis Applications in X-ray Diffraction
  27. Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor
  28. Investigating temperature-induced structural changes of lead halide perovskites by in situ X-ray powder diffraction
  29. Oxidation of Human Copper Chaperone Atox1 and Disulfide Bond Cleavage by Cisplatin and Glutathione
  30. New Hints on the Maya Blue Formation Process by PCA‐Assisted In Situ XRPD/PDF and Optical Spectroscopy
  31. Mechanistic and Structural Basis for Inhibition of Copper Trafficking by Platinum Anticancer Drugs
  32. Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes
  33. Optimization of Vapor Diffusion Conditions for Anti-CD20 Crystallization and Scale-Up to Meso Batch
  34. CO 2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction expe...
  35. The Crystal Structure of N-[(2E)-3-(4-Chlorophenyl)prop-2-en-1-yl]-4-methoxy-N-methylbenzenesulfonamide
  36. Light-Induced Formation of Pb3+ Paramagnetic Species in Lead Halide Perovskites
  37. Hydrogel Composite Membranes Incorporating Iron Oxide Nanoparticles as Topographical Designers for Controlled Heteronucleation of Proteins
  38. Enzyme Crystals and Hydrogel Composite Membranes as New Active Food Packaging Material
  39. Connecting the solution chemistry of PbI2 and MAI: a cyclodextrin-based supramolecular approach to the formation of hybrid halide perovskites
  40. Improved multivariate analysis for fast and selective monitoring of structural dynamics by in situ X-ray powder diffraction
  41. Principal component analysis for automatic extraction of solid-state kinetics from combined in situ experiments
  42. Dynamic characterization of structural changes in vapochromic compounds by pair distribution function
  43. Enniatin and Beauvericin Biosynthesis in Fusarium Species: Production Profiles and Structural Determinant Prediction
  44. Study of drying process on starch structural properties and their effect on semolina pasta sensory quality
  45. Triphenylphosphane Pt(II) complexes containing biologically active natural polyphenols: Synthesis, crystal structure, molecular modeling and cytotoxic studies
  46. Oxaliplatin Binding to Human Copper Chaperone Atox1 and Protein Dimerization
  47. Static and Dynamical Structural Investigations of Metal‐Oxide Nanocrystals by Powder X‐ray Diffraction: Colloidal Tungsten Oxide as a Case Study
  48. Rational design of the solid-state synthesis of materials based on poly-aromatic molecular complexes
  49. Bioinspired Synthesis of CaCO3Superstructures through a Novel Hydrogel Composite Membranes Mineralization Platform: A Comprehensive View
  50. Tailored multivariate analysis for modulated enhanced diffraction
  51. Shape-control by microwave-assisted hydrothermal method for the synthesis of magnetite nanoparticles using organic additives
  52. Crystal structure determination and refinement via SIR2014
  53. 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
  54. A novel congenital dysprothrombinemia leading to defective prothrombin maturation
  55. 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
  56. Protein phasing at non-atomic resolution by combining Patterson andVLDtechniques
  57. RootProf: software for multivariate analysis of unidimensional profiles
  58. Crystal structure of thrombin in complex with a novel tetra-O-acetyl-glucopyranoside-conjugated potent inhibitor
  59. 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
  60. Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor
  61. Tailored Hydrogel Membranes for Efficient Protein Crystallization
  62. Synthesis and Biological Evaluation of Direct Thrombin Inhibitors Bearing 4-(Piperidin-1-yl)pyridine at the P1 Position with Potent Anticoagulant Activity
  63. A Molecular Dynamics Simulation-Based Interpretation of Nuclear Magnetic Resonance Multidimensional Heteronuclear Spectra of α-Synuclein·Dopamine Adducts
  64. Cobalt binding in the photosynthetic bacterium R. sphaeroides by X-ray absorption spectroscopy
  65. Protein crystallography and fragment-based drug design
  66. Structure of MMP3 complexed with NNGH inhibitor.
  67. Multivariate analysis of quaternary carbamazepine–saccharin mixtures by X-ray diffraction and infrared spectroscopy
  68. Structure of MMP3 complexed with a platinum-based inhibitor
  69. Structure of MMP3 complexed with a platinum-based inhibitor.
  70. Structure of matrix metalloproteinase-3 with a platinum-based inhibitor
  71. Insights into the polymorphism of glycine: membrane crystallization in an electric field
  72. Structural analysis of protein Z gene variants in patients with foetal losses
  73. On the use of theCmap in Patterson deconvolution procedures
  74. Local Fluctuations and Conformational Transitions in Proteins
  75. C0264 Protein Z mutations in patients with fetal losses: Structural analysis
  76. 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]
  77. Selecting the Desired Solid Form by Membrane Crystallizers: Crystals or Cocrystals
  78. Untangling diffraction intensity: modulation enhanced diffraction on ZrO2powder
  79. Patterson selectivity by modulation-enhanced diffraction
  80. SIR2011: a new package for crystal structure determination and refinement
  81. Computational studies on a new cationic peroxidase isoenzyme from artichoke leaves
  82. Automatic α-helix identification in Patterson maps
  83. Common Structural Traits across Pathogenic Mutants of the Human Prion Protein and Their Implications for Familial Prion Diseases
  84. Kinematic diffraction on a structure with periodically varying scattering function
  85. Automatic identification of alpha-helices in X-ray diffraction patterns
  86. Purification, biochemical characterization and cloning of a new cationic peroxidase isoenzyme from artichoke
  87. Direct production of carbamazepine–saccharin cocrystals from water/ethanol solvent mixtures by membrane-based crystallization technology
  88. Crystallographic Analysis of Metal‐Ion Binding to Human Ubiquitin
  89. Ribosome-Inactivating Proteins: From Plant Defense to Tumor Attack
  90. New computational tools for H/D determination in macromolecular structures from neutron data
  91. The difference electron density: a probabilistic reformulation
  92. Strangeness enhancements at central rapidity in 40 A GeV/cPb–Pb collisions
  93. Fine Dosage of Antisolvent in the Crystallization of l-Histidine: Effect on Polymorphism
  94. Molecular replacement: the probabilistic approach of the programREMO09and its applications
  95. EDM–DEDM and protein crystal structure solution
  96. Crystal structure solution of small-to-medium-sized molecules at non-atomic resolution
  97. Advances in the EDM–DEDM procedure
  98. The (Fo−Fc) Fourier synthesis: a probabilistic study
  99. 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
  100. Direct methods and simulated annealing: a hybrid approach for powder diffraction data
  101. Chapter 8. Crystal Structure Determination
  102. Expo2006: A Tool for Powder Crystallography
  103. Expo2006: A Tool for Powder Crystallography
  104. Advances inab initioprotein phasing by Patterson deconvolution techniques
  105. Advances in thefree lunchmethod
  106. The revenge of the Patterson methods. III.Ab initiophasing from powder diffraction data
  107. IL MILIONE: a suite of computer programs for crystal structure solution of proteins
  108. The revenge of the Patterson methods. II. Substructure applications
  109. Expansion dynamics of Pb–Pb collisions at 40AGeV/cviewed by negatively charged hadrons
  110. 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
  111. Transverse dynamics of Pb–Pb collisions at 40AGeV/cviewed by strange hadrons
  112. NA57 Collaboration
  113. The revenge of the Patterson methods. I. Protein ab initio phasing
  114. Molecular replacement: the approach of the program REMO
  115. Enhancement of hyperon production at central rapidity in 158AGeV/cPb–Pb collisions
  116. NA57 Results
  117. Rapidity distributions around mid-rapidity of strange particles in Pb–Pb collisions at 158AGeV/c
  118. Central-to-peripheral nuclear modification factors in Pb–Pb collisions atsNN
  119. Ab initiophasing at resolution higher than experimental resolution
  120. The partial structure with errors: a probabilistic treatment
  121. Phasing at resolution higher than the experimental resolution
  122. Multiplicity of charged particles in Pb–Pb collisions at SPS energies
  123. SIR2004: an improved tool for crystal structure determination and refinement
  124. Search for pentaquarks in WA97 experiment at CERN
  125. Λ and Ω− Polarization in Pb+Pb Collisions at 160 A GeV/c
  126. Automatic structure determination from powder data withEXPO2004
  127. Space-group determination from powder diffraction data: a probabilistic approach
  128. About the efficiency of the early FOMs inab initioprotein phasing
  129. Energy dependence of hyperon production in nucleus–nucleus collisions at SPS
  130. Study of the transverse mass spectra of strange particles in Pb–Pb collisions at 158AGeV/c
  131. THE USE OF GEOMETRICAL INFORMATION IN THE AB-INITIO POWDER STRUCTURE SOLUTION BY DIRECT METHODS
  132. The use of error-correcting codes for the decomposition of a powder diffraction pattern
  133. Ab initioprotein phasing: the Patterson deconvolution method inSIR2002
  134. Towards EXPO2005
  135. Hyperon production at the CERN SPS: results from the NA57 experiment
  136. Hyperon production in 40AGeV/ccollisions from the NA57 experiment
  137. Ab initioprotein phasing at 1.4 Å resolution: the new phasing approach ofSIR2003-N
  138. A systematic procedure for the decomposition of a powder diffraction pattern
  139. Solution of organic crystal structures from powder diffraction by combining simulated annealing and direct methods
  140. First results from the ALICE silicon pixel detector prototype
  141. Hyperon yields in PbPb collisions from NA57 experiment
  142. Results on 40 A GeV/c PbPb collisions from the NA57 experiment
  143. Results on hyperon production from NA57
  144. Simulation of the response of a silicon pixel detector
  145. Centrality dependence of the expansion dynamics in Pb-Pb collisions at 158AGeVc-1
  146. Simulation of the response of the NA57 silicon pixel detector
  147. A fast transition radiation detector for first-level triggering
  148. A fast transition radiation detector for high-energy particles selection and triggering
  149. Probing the specific entropy produced in ultra-relativistic heavy-ion collisions with a silicon pixel multiplicity detector: a simulation study
  150. Hyperon production in proton-lead and lead-lead collisions at 158 GeV/c per nucleon
  151. Direct Methods Versus Electron Diffraction : The First Experiences by SIR97