All Stories

  1. Recognition of anion-water clusters by peptide-based supramolecular capsules
  2. Sugar-based synthesis of an enantiomorphically pure zeolite
  3. Recognition of trimeric anion-water clusters by peptide-based supramolecular capsules
  4. Structure and thermal property relationships in the thermomaterial di-n-butylammonium tetrafluoroborate for multipurpose cooling and cold-storage
  5. Multifunctional [(CH₃)₃S][FeCl4] Plastic Crystal for Solar Thermal and Electric Energy Storage
  6. Multifunctional [(CH₃)₃S][FeCl4] Plastic Crystal for Solar Thermal and Electric Energy Storage
  7. Low temperature glass/crystal transition in ionic liquids determined by H-bond vs. coulombic strength
  8. Multifunctional properties and multi-energy storage in the [(CH3)3S][FeCl4] plastic crystal
  9. Hybrid lead halide [(CH3)2NH2]PbX3(X = Cl−and Br−) hexagonal perovskites with multiple functional properties
  10. A novel amyloid designable scaffold and potential inhibitor inspired by GAIIG of amyloid beta and the HIV-1 V3 loop
  11. [(CH3)2NH2]7Pb4X15 (X = Cl– and Br–), 2D-Perovskite Related Hybrids with Dielectric Transitions and Broadband Photoluminiscent Emission
  12. Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)2NH2]PbI3 Organic–Inorganic Hybrid with 2H-Hexagonal Perovskite Structure
  13. Straightforward Synthesis of a Vicinal Double-Bridgehead Iodo Trimethylsilyl Octacycle: Unprecedented Lack of Reactivity of the Silyl Group in the Presence of Fluoride Anions
  14. A simple route to dinuclear complexes containing unusual μ-Nsulfonamidobridges
  15. Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone
  16. A Covalent Organic Helical Cage with Remarkable Chiroptical Amplification
  17. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1)
  18. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant
  19. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 2)
  20. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative
  21. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative
  22. High resolution structure of Salmonella typhi type I dehydroquinase
  23. Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative
  24. Structure of Salmonella typhi type I dehydroquinase irreversible inhibited with a 1,3,4-trihydroxyciclohexane-1-carboxylic acid derivative
  25. Structure of the Salmonella typhi Type I dehydroquinase inhibited by a 3-dehydroquinic acid derivative
  26. Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with(1R,4R,5R)-1,4,5-trihydroxy-3-((1S)-1-hydroxy-2-phenyl) ethylcyclohex-2-en-1-carboxylic acid
  27. Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-((1R)-1-hydroxy-2- phenyl)ethylcyclohex-2-en-1-carboxylic acid
  28. Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid
  29. Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid
  30. Preparation and Characterization of a Halogen-Bonded Shape-Persistent Chiral Alleno-acetylenic Inclusion Complex
  31. First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]
  32. Design, Synthesis, and Structural Analysis of Turn Modified cyclo-(αβ3αβ2α)2 Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies
  33. Mycobacterium tuberculosis Shikimate Kinase Inhibitors: Design and Simulation Studies of the Catalytic Turnover
  34. Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative.
  35. X‐Ray Crystallography of Biological Macromolecules: Fundamentals and Applications
  36. Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid
  37. Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid
  38. Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid
  39. Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid
  40. Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2R)-2-(benzothiophen-5-yl)methyl-3-dehydroquinic acid
  41. Mechanistic Basis of the Inhibition of Type II Dehydroquinase by (2S)- and (2R)-2-Benzyl-3-dehydroquinic Acids
  42. ‘Inverted’ analogs of the antibiotic gramicidin S with an improved biological profile
  43. High-resolution structures ofThermus thermophilusenoyl-acyl carrier protein reductase in the apo form, in complex with NAD+and in complex with NAD+and triclosan
  44. Rotation-Locked 2,6-Pyrido-allenophanes: Characterization of all Stereoisomers
  45. Design, synthesis and structural analysis of mixed α/β-peptides that adopt stable cyclic hairpin-like conformations
  46. Service crystallography at the University of Santiago de Compostela
  47. Structures of porcine adenovirus type 4 and bacteriophage T4 long tail fibres
  48. Crystal structure of bacteriophage T4 fibre protein gp37
  49. A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors
  50. Three-Dimensional Water Channel Embedded in an α,γ-Cyclic Octapeptide-Derived Organic Porous Material
  51. Synthesis and evaluation of strand and turn modified ring-extended gramicidin S derivatives
  52. Evaluation of Readily Accessible Azoles as Mimics of the Aromatic Ring of D-Phenylalanine in the Turn Region of Gramicidin S
  53. Exploring the Conformational and Biological Versatility of β‐Turn‐Modified Gramicidin S by Using Sugar Amino Acid Homologues that Vary in Ring Size
  54. High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD and triclosan-form
  55. Tetrahydrobenzothiophene Derivatives: Conformationally Restricted Inhibitors of Type II Dehydroquinase
  56. Structure of the bacteriophage T4 long tail fibre needle-shaped receptor-binding tip
  57. Structure of the bacteriophage T4 long tail fiber receptor-binding tip
  58. An Adamantyl Amino Acid Containing Gramicidin S Analogue with Broad Spectrum Antibacterial Activity and Reduced Hemolytic Activity
  59. Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)‐2‐Benzyl‐3‐dehydroquinic Acids
  60. Another Possible Carbon Allotrope
  61. Studies in the azole series. CIII. adamantyl and halogeno pyrazolin-5-ones
  62. ChemInform Abstract: Proton Sponges
  63. Crystallographic Structure of Porcine Adenovirus Type 4 Fiber Head and Galectin Domains
  64. ChemInform Abstract: Synthesis and Molecular Structure of 3-(2-Benzyloxy-6-hydroxyphenyl)-5-styrylpyrazoles. Reaction of 2-Styrylchromones and Hydrazine Hydrate.
  65. Gramicidin S Derivatives Containing cis - and trans -Morpholine Amino Acids (MAAs) as Turn Mimetics
  66. Synthesis and Biological Evaluation of New Nanomolar Competitive Inhibitors of Helicobacter pylori Type II Dehydroquinase. Structural Details of the Role of the Aromatic Moieties with Essential Residues
  67. Crystallization of the head and galectin-like domains of porcine adenovirus isolate NADC-1 fibre
  68. Synthesis and biological evaluation of asymmetric gramicidin S analogues containing modified d-phenylalanine residues
  69. Bisphosphine-Functionalized Cyclic Decapeptides Based on the Natural Product Gramicidin S: A Potential Scaffold for Transition-Metal Coordination
  70. Crystallographic structure of the  -helical triple coiled-coil domain of avian reovirus S1133 fibre
  71. Structure of avian reovirus sigmaC117-326, C2 crystal form
  72. Structure of avian reovirus sigmaC117-326, P321 crystal form
  73. Crystal Structure of the Avian Reovirus Inner Capsid Protein σA
  74. Crystal structure of the avian reovirus inner capsid protein sigmaA
  75. Structure of the Receptor-Binding Protein of Bacteriophage Det7: a Podoviral Tail Spike in a Myovirus
  76. Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber
  77. The First Crystal Structures of Mercury(II) Complexes of Tetra-amides (L1 and L2) and Tetramethylamides (L3 and L4) of EDTA and PDTA. Formation of Distorted Octahedral and Distorted Capped Octahedral Mercury(II) Complexes and of a Trinuclear Complex co...
  78. Crystal structures of avian virus host cell interaction proteins
  79. Antitumor Activity, X-ray Crystal Structure, and DNA Binding Properties of Thiocoraline A, a Natural Bisintercalating Thiodepsipeptide
  80. Bis[4-(2-pyridylmethylamino)phenyl]methane dihydrate
  81. Crystallization of the avian reovirus double-stranded RNA-binding and core protein σA
  82. Double-stranded helical twisted β-sheet channels in crystals of gramicidin S grown in the presence of trifluoroacetic and hydrochloric acids
  83. [1,2,3]Triazolo[4,5-b]porphyrins: New Building Blocks for Porphyrinic Materials
  84. [1,2,3]Triazolo[4,5-b]porphyrins: New Building Blocks for Porphyrinic Materials
  85. β-Turn Modified Gramicidin S Analogues Containing Arylated Sugar Amino Acids Display Antimicrobial and Hemolytic Activity Comparable to the Natural Product
  86. Crystallization of the C-terminal head domain of the avian adenovirus CELO long fibre
  87. Dinuclear nickel complexes with a Ni2O2core: a structural and magnetic study
  88. Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, Zn crystal form.
  89. Structure of the Carboxy-terminal Receptor-binding Domain of Avian Reovirus Fibre SigmaC
  90. Structural Determinants of Tissue Tropism and In Vivo Pathogenicity for the Parvovirus Minute Virus of Mice
  91. Crystallization of the C-terminal globular domain of avian reovirus fibre
  92. An Unusual Reverse Turn Structure Adopted by a Furanoid Sugar Amino Acid Incorporated in Gramicidin S
  93. Ferromagnetic exchange in a dinuclear copper(ii) complex mediated by a methanolate bridging ligand
  94. Conformational Analysis of Furanoid ε-Sugar Amino Acid Containing Cyclic Peptides by NMR Spectroscopy, Molecular Dynamics Simulation, and X-ray Crystallography:  Evidence for a Novel Turn Structure
  95. Spontaneous carbon dioxide fixation: a µ4-carbonate bridged tetranuclear zinc(ii) complex of a heptadentate Schiff base
  96. Synthesis, Characterization and Molecular Structure of 2-Pyridyl-formamide N(4)-Dimethylthiosemicarbazone and Some Five-Coordinated Zinc(II) and Cadmium(II) Complexes
  97. Ab initiostudy of azolides: Energetic and spectroscopic properties
  98. Biochemical and Physical Characterization of Parvovirus Minute Virus of Mice Virus-like Particles
  99. Unusual high nuclearity and pseudo-tetrahedral Zn8O13 core found in a self-assembled complex
  100. Complexes Between 1,1′-Binaphthyl-2,2′-Dicarboxylic Acid and Pyrazoles: A Case of Manual Sorting of Conglomerate Crystals (Triage)
  101. Synthesis and molecular structure of 3-(2-benzyloxy-6-hydroxyphenyl)-5-styrylpyrazoles. Reaction of 2-styrylchromones and hydrazine hydrate
  102. The search for proton mobility in solid pyrazoles: molecular and crystal structure of 3(5)-phenyl-4-bromo-5(3)-methylpyrazole
  103. X-ray Crystallography at 170 K of Racemic 2,2'-Dimethoxy-9,9'-biacridine and 1H NMR Study of 2,2'-Diacetoxy-9,9'-biacridine
  104. TwoC3-symmetrical tris(ortho-substituted) tribenzylamines
  105. Three 2,4,6-trimethylpyridine–benzoic acid complexes at 150K
  106. A structural study of pyrazole-1-carboxamides by X-ray crystallography and 13C CPMAS NMR spectroscopy
  107. THE STRUCTURE OF N-ACETYLAZOLES (AZOLINES): A SEMIFMPIRICAL (AMI) COMPUTATIONAL STUDY
  108. Crystal structures of two 4-bromopyrazole derivatives
  109. Functional implications of the structure of the murine parvovirus, minute virus of mice
  110. Triphenylphosphine Sulfide: a Redetermination at 150K
  111. Modular Crystalline Hosts Derived from Mandelic Acid. Host Synthesis, Inclusion Formation, and Xray Crystal Structures of Two Free Hosts and One Inclusion Complex with Methanol
  112. Synthesis and X-Ray Crystal Structure of 3-(Pyrazol-4-yl)propargyl Alcohol
  113. Localization of hydrogen bond deuterons in proton sponges by dipolar solid state 15N NMR spectroscopy
  114. MVM(STRAIN I), COMPLEX(VIRAL COAT/DNA), VP2, PH=7.5, T=4 DEGREES C
  115. Temperature-Dependent Phase Transitions in Two Crystalline Host–Guest Complexes Derived from Mandelic Acid
  116. Studies of intramolecular hydrogen bonds (IMHB): crystal and molecular structure of 2-(2′-hydroxy-phenyl)imidazoles
  117. Structure of 3-nitropyrazole in solution and in the solid state
  118. Synthesis and molecular structure of new O/N/O ligands: Bis-phenol-pyridine and bis-phenol-pyrazole
  119. Photophysics of the 2-(2′-hydroxyphenyl)perimidines: Photostability studies
  120. Aromatic propellenes. Part 8.† Semiempirical calculations and DNMR studies of hexakis(pyrazol-1-yl)benzenes
  121. Theoretical study of the structure and tautomerism of N 1-unsubstituted pyrazoles in the solid state
  122. Molecular structure and dynamics of C-1-adamantyl substituted N-unsubstituted pyrazoles studied by solid state NMR spectroscopy and X-ray crystallography
  123. Structure Determination of Minute Virus of Mice
  124. Structural Analysis of a Mutation in Canine Parvovirus Which Controls Antigenicity and Host Range
  125. An anomalous intramolecular conjugate addition of N-protected imidazoles to vinyliminophosphoranes promoted by tetrabutylammonium fluoride. X-Ray crystal structure of 5-ethoxycarbonyl-5-(triphenylphosphoranylidene-amino)-5,6-dihydroimidazo[2,1-α]isoqui...
  126. Aromatic propellenes. Part 2. Study of conformational isomerism of hexa(pyrazol-1-yl)benzene: X-ray crystallography and semiempirical calculations
  127. Supramolecular crystalline construction based on a mandelic acid source. Host design, inclusion formation and X-ray crystal structures of a methanol inclusion complex and free host structures in racemic and optically resolved forms
  128. Supramolecular crystalline construction based on a mandelic acid source. Host design, inclusion formation and X-ray crystal structures of a methanol inclusion complex and free host structures in racemic and optically resolved forms
  129. The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State
  130. A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
  131. Ab initio study of the effect of N-substituents on properties of pyrazoles
  132. Preparation of Highly Functionalized Imidazoles from α-Azidoacetonitrile: X-ray Crystal Structure of 4-Methoxy-2-methylamino-5-methylthiocarbamoylimidazole
  133. The geometry of pyrazole: A test forab initiocalculations
  134. Dicarboximide-based clathrate design. Host synthesis, inclusion formation and x-ray crystal structures of a free host and of inclusion compounds with 2- and 3- methylcyclohexanone, 3-methylcyclopentanone, butyronitrile, propan-1-ol and (?)-fenchone guests
  135. Aromatic propellenes. Part 1. NMR spectroscopy, X-ray crystal and molecular structure of hexa(3,5-dimethylpyrazol-1-yl)benzene
  136. 2-Arylperimidine derivatives. Part 1. Synthesis, NMR spectroscopy, X-ray crystal and molecular structures
  137. Semiempirical (AM1, PM3 and SAM1) calculations of the protonation enthalpies of proton sponges related to 1,8-diaminonaphthalene. Estimation of the aqueous basicity of new designed superbases
  138. Proton sponges
  139. The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-tert-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics)
  140. Crystalline hosts derived from pyrazole carboxylic acids. X-ray crystal structures of 4-nitropyrazole-3,5-dicarboxylic acid and its sodium salt including dioxane molecules
  141. Preparation of [5 + 6]-, [6 + 6]-, and [6 + 7]-Bicyclic Guanidines fromC,C'-Bis(iminophosphoranes)
  142. Tris(pyrazol-1-yl)-s-triazine (TPT): X-ray crystallographic, computational, and gas-phase electron diffraction studies
  143. Proton transfer in solid heterocycles: An X-ray and CPMAS NMR study
  144. The influence of the substituent at the nitrogen atom on the molecular structure of pyrazoles: a crystallographic statistical survey versus ab initio calculations
  145. Complexes of rhodium and iridium derived from 2,5-bis(pyrazol-1′-yl)-1,4-dihydroxybenzene
  146. Substitution effects on the structure of o-aryliminophosphoranes
  147. The Structure of 1H-Perimidin-2(3H)-one and Its Derivatives in the solid state (x-ray crystallography and CP/MAS13C-NMR), in solution (13C-NMR), and in the gas phase (mass spectrometry)
  148. Alanine-derived hosts comprising a roof-shaped carbonimide framework. Synthesis, inclusion formation and X-ray crystal structures of racemic and optically resolved free hosts, and their crystalline complexes with 3-methylcyclohexanone
  149. Structure of 3(5)-methyl-4-nitropyrazole in the solid state: tautomerism, crystallography and the problem of desmotropy
  150. Iminophosphorane-substituted proton sponges. Part 5. Structures in the solid state. Correlation between solid state31P MAS NMR spectra and crystal structures
  151. N-Aminoazoles. Part 3. Molecular structure and multinuclear NMR study of 1,3-diaminobenzimidazolium chloride hydrate and 1-amino-3-methylbenzimidazolium iodide
  152. Adamantylation of N-Unsubstituted Pyrazole Derivatives: Mechanistic and Structural Studies
  153. Structural and semiempirical studies of 2-arylperimidine derivatives
  154. Preparation and synthetic applications of iminophosphoranes derived from o-substituted arylazides: preparation of pyrazolo[1,2-b]indazole, 4H-3,1-benzoxazine and quinoline derivatives. Crystal structure of 2-[2-(4-methoxybenzoylamino)phenyl]-4-methylqu...
  155. Chiral crystalline hosts derived from lactic acid.* X-ray crystal structures of optically resolved and racemic host compound 1,1-diphenyl-1,2-propanediol and a 2:1 complex between optically resolved host and 3-picoline
  156. (4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-1H(2H)-indazole (campho[2,3-c]pyrazole): comparison between the X-ray structure and carbon-13 NMR data in the solid state
  157. Crystal structures of 2-(2-methoxyphenyl) perimidine and its hemihydrate
  158. Geometrical characteristics of four-coordinate complexes of Ni, Pd, and Pt containing triphenylphosphine as ligand
  159. A comparison of the structures of pyrazole, 3,5-dimethylpyrazole and 3,5-bis(trifluoromethyl)pyrazole: theoretical calculations (STO-3G), microwave, electron diffraction and crystallography
  160. N-aminoazoles. Part 2. Basicity and protonation site of N-aminoazoles: an experimental (pKa,13C and15N NMR spectroscopy and crystallography) and theoretical study
  161. Iminophosphorane-substituted proton sponges. Part 4. Comparison of X-ray molecular structures with solution properties (pKa,1H and13C NMR spectroscopy)
  162. Synthesis and structure of new hosts related to 9,9′-bianthryl
  163. Intermolecular proton transfer in host–guest crystals: the case of pyrazole included in 1,1-di(2,4-dimethylphenyl)but-2-yn-1-ol, an X-ray and solid-state13C/15N NMR study
  164. Host-guest chemistry. 2. Amine inclusion compounds of 2-[o-(triphenylphosphoranylidenamino)benzyliden]amino-1H-2,3-dihydroindazol-3-one. X-ray structure of its 1?1?1 inclusion complex with isopropylamine and water
  165. Effect of the protonation and of the ortho substitution on the structure of aryliminophosphoranes
  166. Nature of the hydrogen bond: crystallographic versus theoretical description of the O-H...N(sp 2) hydrogen bond
  167. Host-guest chemistry. Methanol, ethanol and propan-1-ol inclusion compounds of 2-[o-(triphenylphosphoranylidenamino) benzyliden] amino-1H-2, 3-dihydroindazol-3-one. X-ray structural characterization of the free host and its ethanol inclusion compound
  168. Structure of 3,5-pyrazoledimethanol: an X-ray and 13C solid-state NMR study
  169. New chiral selectors derived from lactic acid. Cocrystalline and sorptive optical resolutions, and the crystal structure of an inclusion complex with 3-methylcyclohexanone
  170. One-pot synthesis of a new class of fused 2,4-diimino-1,3-diazetidines by an aza-Wittig/[2 + 2] cycloaddition of carbodiimides process
  171. 2,4-Bisimino-1,3-diazetidines: iminophosphoranes, carbodiimides and related betaines
  172. Iminophosphorane-substituted proton sponges. Part 3. Preparation and crystal structure of three salts of protonated 1-dimethylamino-8-triphenylphosphoranylideneammonionaphthalene
  173. The X-ray crystal structure of a ternary cocrystallization compound: N,N-dimethyl-o-phenylenediamine–fluoroboric acid–triphenylphosphine oxide
  174. Iminophosphorane-substituted proton sponges. Part 2. Preparation and crystal structure of four phosphoranylideneammonionaphthalene derivatives
  175. Iminophosphorane-substituted proton sponges. Part 1. X-ray molecular structures of 1,8-diaminonaphthalene and 1-amino-8-triphenylphosphoranylideneaminonaphthalene
  176. N⋯Nsp2 hydrogen interactions in organic crystals
  177. Heterocumulene-mediated annelation of a [1,3,4]thiadiazine or [1,3,4]oxadiazine ring into an imidazole ring: preparation and crystal structure of some derivatives of the unknown imidazo[1,5-d]-[1,3,4]thiadiazine and imidazo[1,5-d́][1,3,4]oxadiazine rin...
  178. Ring-Opening Reactions of Mesoionic [1,2,4]Triazolo[1,5-c]quinazolines. – Preparation of 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazoles by a Translocative Rearrangement