Contact

All Stories

  1. Structure and thermal property relationships in the thermomaterial di-n-butylammonium tetrafluoroborate for multipurpose cooling and cold-storage

    Article • Journal of Materials Chemistry A, January 2023, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  2. Multifunctional [(CH₃)₃S][FeCl4] Plastic Crystal for Solar Thermal and Electric Energy Storage

    Article • August 2020, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  3. Multifunctional [(CH₃)₃S][FeCl4] Plastic Crystal for Solar Thermal and Electric Energy Storage

    Article • August 2020, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  4. Low temperature glass/crystal transition in ionic liquids determined by H-bond vs. coulombic strength

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  5. Multifunctional properties and multi-energy storage in the [(CH3)3S][FeCl4] plastic crystal

    Article • Journal of Materials Chemistry C, January 2020, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  6. Hybrid lead halide [(CH3)2NH2]PbX3(X = Cl−and Br−) hexagonal perovskites with multiple functional properties

    Article • Journal of Materials Chemistry C, January 2019, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  7. A novel amyloid designable scaffold and potential inhibitor inspired by GAIIG of amyloid beta and the HIV-1 V3 loop

    Article • FEBS Letters, June 2018, Wiley

    Dr Antonio L Llamas-Saiz, Dr Matthew W Bowler

  8. [(CH3)2NH2]7Pb4X15 (X = Cl– and Br–), 2D-Perovskite Related Hybrids with Dielectric Transitions and Broadband Photoluminiscent Emission

    Article • Inorganic Chemistry, March 2018, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  9. Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)2NH2]PbI3 Organic–Inorganic Hybrid with 2H-Hexagonal Perovskite Structure

    Article • Inorganic Chemistry, April 2017, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  10. Straightforward Synthesis of a Vicinal Double-Bridgehead Iodo Trimethylsilyl Octacycle: Unprecedented Lack of Reactivity of the Silyl Group in the Presence of Fluoride Anions

    Article • European Journal of Organic Chemistry, March 2017, Wiley

    Dr Antonio L Llamas-Saiz

  11. A simple route to dinuclear complexes containing unusual μ-Nsulfonamidobridges

    Article • Journal of Coordination Chemistry, March 2016, Taylor & Francis

    Dr Antonio L Llamas-Saiz

  12. Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone

    Article • Viruses, December 2015, MDPI AG

    Dr Antonio L Llamas-Saiz

  13. A Covalent Organic Helical Cage with Remarkable Chiroptical Amplification

    Article • Chemistry - A European Journal, November 2015, Wiley

    Dr Antonio L Llamas-Saiz

  14. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1)

    Article • March 2015, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  15. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant

    Article • March 2015, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  16. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 2)

    Article • March 2015, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  17. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative

    Article • March 2015, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  18. Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative

    Article • March 2015, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  19. High resolution structure of Salmonella typhi type I dehydroquinase

    Article • February 2015, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  20. Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative

    Article • February 2015, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  21. Structure of Salmonella typhi type I dehydroquinase irreversible inhibited with a 1,3,4-trihydroxyciclohexane-1-carboxylic acid derivative

    Article • November 2014, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  22. Structure of the Salmonella typhi Type I dehydroquinase inhibited by a 3-dehydroquinic acid derivative

    Article • October 2014, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  23. 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

    Article • April 2014, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  24. 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

    Article • April 2014, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  25. 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

    Article • April 2014, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  26. 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

    Article • April 2014, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  27. Preparation and Characterization of a Halogen-Bonded Shape-Persistent Chiral Alleno-acetylenic Inclusion Complex

    Article • Organic Letters, February 2014, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  28. First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]

    Article • CrystEngComm, January 2014, Royal Society of Chemistry

    Maria A Señaris, Dr Antonio L Llamas-Saiz

  29. Design, Synthesis, and Structural Analysis of Turn Modified cyclo-(αβ3αβ2α)2 Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies

    Article • Crystal Growth & Design, September 2013, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  30. Mycobacterium tuberculosis Shikimate Kinase Inhibitors: Design and Simulation Studies of the Catalytic Turnover

    Article • Journal of the American Chemical Society, August 2013, American Chemical Society (ACS)

    Concepcion Gonzalez-Bello, Dr Antonio L Llamas-Saiz

  31. Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative.

    Article • August 2013, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  32. X‐Ray Crystallography of Biological Macromolecules: Fundamentals and Applications

    Article • February 2013, Wiley

    Dr Antonio L Llamas-Saiz

  33. Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid

    Article • December 2012, Protein Data Bank, Rutgers University

    Concepcion Gonzalez-Bello, Dr Antonio L Llamas-Saiz

  34. Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid

    Article • December 2012, Protein Data Bank, Rutgers University

    Concepcion Gonzalez-Bello, Dr Antonio L Llamas-Saiz

  35. Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid

    Article • December 2012, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  36. Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid

    Article • December 2012, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  37. Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2R)-2-(benzothiophen-5-yl)methyl-3-dehydroquinic acid

    Article • December 2012, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  38. Mechanistic Basis of the Inhibition of Type II Dehydroquinase by (2S)- and (2R)-2-Benzyl-3-dehydroquinic Acids

    Article • ACS Chemical Biology, December 2012, American Chemical Society (ACS)

    Concepcion Gonzalez-Bello, Dr Antonio L Llamas-Saiz

  39. ‘Inverted’ analogs of the antibiotic gramicidin S with an improved biological profile

    Article • Bioorganic & Medicinal Chemistry, October 2012, Elsevier

    Dr Antonio L Llamas-Saiz

  40. High-resolution structures ofThermus thermophilusenoyl-acyl carrier protein reductase in the apo form, in complex with NAD+and in complex with NAD+and triclosan

    Article • Acta Crystallographica Section F Structural Biology and Crystallization Communications, September 2012, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  41. Rotation-Locked 2,6-Pyrido-allenophanes: Characterization of all Stereoisomers

    Article • Chemistry - A European Journal, September 2012, Wiley

    Dr Antonio L Llamas-Saiz

  42. Design, synthesis and structural analysis of mixed α/β-peptides that adopt stable cyclic hairpin-like conformations

    Article • Tetrahedron, March 2012, Elsevier

    Dr Antonio L Llamas-Saiz

  43. Service crystallography at the University of Santiago de Compostela

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 2011, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  44. Structures of porcine adenovirus type 4 and bacteriophage T4 long tail fibres

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 2011, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  45. Crystal structure of bacteriophage T4 fibre protein gp37

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 2011, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  46. A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors

    Article • Journal of Medicinal Chemistry, August 2011, American Chemical Society (ACS)

    Concepcion Gonzalez-Bello, Dr Antonio L Llamas-Saiz

  47. Three-Dimensional Water Channel Embedded in an α,γ-Cyclic Octapeptide-Derived Organic Porous Material

    Article • Crystal Growth & Design, August 2011, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  48. Synthesis and evaluation of strand and turn modified ring-extended gramicidin S derivatives

    Article • Bioorganic & Medicinal Chemistry, June 2011, Elsevier

    Dr Antonio L Llamas-Saiz

  49. Evaluation of Readily Accessible Azoles as Mimics of the Aromatic Ring of D-Phenylalanine in the Turn Region of Gramicidin S

    Article • ChemMedChem, March 2011, Wiley

    Dr Antonio L Llamas-Saiz

  50. Exploring the Conformational and Biological Versatility of β‐Turn‐Modified Gramicidin S by Using Sugar Amino Acid Homologues that Vary in Ring Size

    Article • Chemistry - A European Journal, March 2011, Wiley

    Dr Antonio L Llamas-Saiz

  51. High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD and triclosan-form

    Article • November 2010, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  52. Tetrahydrobenzothiophene Derivatives: Conformationally Restricted Inhibitors of Type II Dehydroquinase

    Article • ChemMedChem, November 2010, Wiley

    Concepcion Gonzalez-Bello, Dr Antonio L Llamas-Saiz

  53. Structure of the bacteriophage T4 long tail fibre needle-shaped receptor-binding tip

    Article • November 2010, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  54. Structure of the bacteriophage T4 long tail fiber receptor-binding tip

    Article • Proceedings of the National Academy of Sciences, November 2010, Proceedings of the National Academy of Sciences

    Dr Antonio L Llamas-Saiz

  55. An Adamantyl Amino Acid Containing Gramicidin S Analogue with Broad Spectrum Antibacterial Activity and Reduced Hemolytic Activity

    Article • Chemistry - A European Journal, September 2010, Wiley

    Dr Antonio L Llamas-Saiz

  56. Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)‐2‐Benzyl‐3‐dehydroquinic Acids

    Article • ChemMedChem, September 2010, Wiley

    Concepcion Gonzalez-Bello, Dr Antonio L Llamas-Saiz

  57. Another Possible Carbon Allotrope

    Article • Bulletin des Sociétés Chimiques Belges, September 2010, Wiley

    Dr Antonio L Llamas-Saiz

  58. Studies in the azole series. CIII. adamantyl and halogeno pyrazolin-5-ones

    Article • Bulletin des Sociétés Chimiques Belges, September 2010, Wiley

    Dr Antonio L Llamas-Saiz

  59. ChemInform Abstract: Proton Sponges

    Article • ChemInform, August 2010, Wiley

    Dr Antonio L Llamas-Saiz

  60. Crystallographic Structure of Porcine Adenovirus Type 4 Fiber Head and Galectin Domains

    Article • Journal of Virology, August 2010, ASM Journals

    Dr Antonio L Llamas-Saiz

  61. ChemInform Abstract: Synthesis and Molecular Structure of 3-(2-Benzyloxy-6-hydroxyphenyl)-5-styrylpyrazoles. Reaction of 2-Styrylchromones and Hydrazine Hydrate.

    Article • ChemInform, June 2010, Wiley

    Dr. Nadine jagerovic, Dr Antonio L Llamas-Saiz

  62. Gramicidin S Derivatives Containing cis - and trans -Morpholine Amino Acids (MAAs) as Turn Mimetics

    Article • Chemistry - A European Journal, April 2010, Wiley

    Dr Antonio L Llamas-Saiz

  63. 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

    Article • Journal of Medicinal Chemistry, November 2009, American Chemical Society (ACS)

    Concepcion Gonzalez-Bello, Dr Antonio L Llamas-Saiz

  64. Crystallization of the head and galectin-like domains of porcine adenovirus isolate NADC-1 fibre

    Article • Acta Crystallographica Section F Structural Biology and Crystallization Communications, October 2009, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  65. Synthesis and biological evaluation of asymmetric gramicidin S analogues containing modified d-phenylalanine residues

    Article • Bioorganic & Medicinal Chemistry, September 2009, Elsevier

    Dr Antonio L Llamas-Saiz

  66. Bisphosphine-Functionalized Cyclic Decapeptides Based on the Natural Product Gramicidin S: A Potential Scaffold for Transition-Metal Coordination

    Article • Chemistry - A European Journal, August 2009, Wiley

    Dr Antonio L Llamas-Saiz

  67. Crystallographic structure of the  -helical triple coiled-coil domain of avian reovirus S1133 fibre

    Article • Journal of General Virology, March 2009, Society for General Microbiology

    Dr Antonio L Llamas-Saiz

  68. Structure of avian reovirus sigmaC117-326, C2 crystal form

    Article • January 2009, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  69. Structure of avian reovirus sigmaC117-326, P321 crystal form

    Article • January 2009, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  70. Crystal Structure of the Avian Reovirus Inner Capsid Protein σA

    Article • Journal of Virology, September 2008, ASM Journals

    Dr Antonio L Llamas-Saiz

  71. Crystal structure of the avian reovirus inner capsid protein sigmaA

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 2008, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  72. Structure of the Receptor-Binding Protein of Bacteriophage Det7: a Podoviral Tail Spike in a Myovirus

    Article • Journal of Virology, December 2007, ASM Journals

    Dr Antonio L Llamas-Saiz

  73. Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber

    Article • Journal of General Virology, September 2007, Society for General Microbiology

    Dr Antonio L Llamas-Saiz

  74. 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...

    Article • Zeitschrift für anorganische und allgemeine Chemie, September 2007, Wiley

    Dr Antonio L Llamas-Saiz

  75. Crystal structures of avian virus host cell interaction proteins

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 2007, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  76. Antitumor Activity, X-ray Crystal Structure, and DNA Binding Properties of Thiocoraline A, a Natural Bisintercalating Thiodepsipeptide

    Article • Journal of Medicinal Chemistry, July 2007, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  77. Bis[4-(2-pyridylmethylamino)phenyl]methane dihydrate

    Article • Acta Crystallographica Section E Structure Reports Online, June 2007, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  78. Crystallization of the avian reovirus double-stranded RNA-binding and core protein σA

    Article • Acta Crystallographica Section F Structural Biology and Crystallization Communications, April 2007, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  79. Double-stranded helical twisted β-sheet channels in crystals of gramicidin S grown in the presence of trifluoroacetic and hydrochloric acids

    Article • Acta Crystallographica Section D Biological Crystallography, February 2007, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  80. [1,2,3]Triazolo[4,5-b]porphyrins: New Building Blocks for Porphyrinic Materials

    Article • Angewandte Chemie International Edition, August 2006, Wiley

    Dr Antonio L Llamas-Saiz

  81. [1,2,3]Triazolo[4,5-b]porphyrins: New Building Blocks for Porphyrinic Materials

    Article • Angewandte Chemie, August 2006, Wiley

    Dr Antonio L Llamas-Saiz

  82. β-Turn Modified Gramicidin S Analogues Containing Arylated Sugar Amino Acids Display Antimicrobial and Hemolytic Activity Comparable to the Natural Product

    Article • Journal of the American Chemical Society, May 2006, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  83. Crystallization of the C-terminal head domain of the avian adenovirus CELO long fibre

    Article • Acta Crystallographica Section F Structural Biology and Crystallization Communications, April 2006, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  84. Dinuclear nickel complexes with a Ni2O2core: a structural and magnetic study

    Article • Dalton Transactions, January 2006, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  85. Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, Zn crystal form.

    Article • November 2005, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  86. Structure of the Carboxy-terminal Receptor-binding Domain of Avian Reovirus Fibre SigmaC

    Article • Journal of Molecular Biology, November 2005, Elsevier

    Dr Antonio L Llamas-Saiz

  87. Structural Determinants of Tissue Tropism and In Vivo Pathogenicity for the Parvovirus Minute Virus of Mice

    Article • Journal of Virology, September 2005, ASM Journals

    Dr Antonio L Llamas-Saiz

  88. Crystallization of the C-terminal globular domain of avian reovirus fibre

    Article • Acta Crystallographica Section F Structural Biology and Crystallization Communications, June 2005, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  89. An Unusual Reverse Turn Structure Adopted by a Furanoid Sugar Amino Acid Incorporated in Gramicidin S

    Article • Journal of the American Chemical Society, February 2004, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  90. Ferromagnetic exchange in a dinuclear copper(ii) complex mediated by a methanolate bridging ligand

    Article • Dalton Transactions, January 2004, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  91. 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

    Article • Journal of the American Chemical Society, August 2003, American Chemical Society (ACS)

    Dr Antonio L Llamas-Saiz

  92. Spontaneous carbon dioxide fixation: a µ4-carbonate bridged tetranuclear zinc(ii) complex of a heptadentate Schiff base

    Article • Journal of the Chemical Society Dalton Transactions, January 2002, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  93. Synthesis, Characterization and Molecular Structure of 2-Pyridyl-formamide N(4)-Dimethylthiosemicarbazone and Some Five-Coordinated Zinc(II) and Cadmium(II) Complexes

    Article • Zeitschrift für Naturforschung B, December 2001, De Gruyter

    Dr Antonio L Llamas-Saiz

  94. Ab initiostudy of azolides: Energetic and spectroscopic properties

    Article • Journal of Heterocyclic Chemistry, March 2001, Wiley

    Dr Antonio L Llamas-Saiz

  95. Biochemical and Physical Characterization of Parvovirus Minute Virus of Mice Virus-like Particles

    Article • Virology, February 2000, Elsevier

    Dr Antonio L Llamas-Saiz

  96. Unusual high nuclearity and pseudo-tetrahedral Zn8O13 core found in a self-assembled complex

    Article • Chemical Communications, January 2000, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  97. Complexes Between 1,1′-Binaphthyl-2,2′-Dicarboxylic Acid and Pyrazoles: A Case of Manual Sorting of Conglomerate Crystals (Triage)

    Article • Helvetica Chimica Acta, December 1999, Wiley

    Dr Antonio L Llamas-Saiz

  98. Synthesis and molecular structure of 3-(2-benzyloxy-6-hydroxyphenyl)-5-styrylpyrazoles. Reaction of 2-styrylchromones and hydrazine hydrate

    Article • Tetrahedron, August 1999, Elsevier

    Dr Antonio L Llamas-Saiz, Dr. Nadine jagerovic

  99. The search for proton mobility in solid pyrazoles: molecular and crystal structure of 3(5)-phenyl-4-bromo-5(3)-methylpyrazole

    Article • Journal of Molecular Structure, June 1999, Elsevier

    Dr Antonio L Llamas-Saiz, Dr. Nadine jagerovic

  100. 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

    Article • Molecules, April 1999, MDPI AG

    Dr Antonio L Llamas-Saiz

  101. TwoC3-symmetrical tris(ortho-substituted) tribenzylamines

    Article • Acta Crystallographica Section C Crystal Structure Communications, March 1999, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  102. Three 2,4,6-trimethylpyridine–benzoic acid complexes at 150K

    Article • Acta Crystallographica Section C Crystal Structure Communications, March 1999, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  103. A structural study of pyrazole-1-carboxamides by X-ray crystallography and 13C CPMAS NMR spectroscopy

    Article • Journal of Molecular Structure, March 1999, Elsevier

    Dr Antonio L Llamas-Saiz, Dr. Nadine jagerovic

  104. THE STRUCTURE OF N-ACETYLAZOLES (AZOLINES): A SEMIFMPIRICAL (AMI) COMPUTATIONAL STUDY

    Article • Heterocyclic Communications, January 1999, De Gruyter

    Dr Antonio L Llamas-Saiz

  105. Crystal structures of two 4-bromopyrazole derivatives

    Article • Zeitschrift für Kristallographie - Crystalline Materials, January 1999, De Gruyter

    Dr Antonio L Llamas-Saiz

  106. Article • Journal of Inclusion Phenomena and Macrocyclic Chemistry, January 1999, Springer Science + Business Media

    Dr Antonio L Llamas-Saiz

  107. Article • Journal of Inclusion Phenomena and Macrocyclic Chemistry, January 1999, Springer Science + Business Media

    Dr Antonio L Llamas-Saiz

  108. Functional implications of the structure of the murine parvovirus, minute virus of mice

    Article • Structure, November 1998, Elsevier

    Dr Antonio L Llamas-Saiz

  109. Triphenylphosphine Sulfide: a Redetermination at 150K

    Article • Acta Crystallographica Section C Crystal Structure Communications, May 1998, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  110. 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

    Article • Supramolecular Chemistry, May 1998, Taylor & Francis

    Dr Antonio L Llamas-Saiz

  111. Synthesis and X-Ray Crystal Structure of 3-(Pyrazol-4-yl)propargyl Alcohol

    Article • Molecules Online, April 1998, Springer Science + Business Media

    Dr Antonio L Llamas-Saiz

  112. Localization of hydrogen bond deuterons in proton sponges by dipolar solid state 15N NMR spectroscopy

    Article • Berichte der Bunsengesellschaft für physikalische Chemie, March 1998, Wiley

    Dr Antonio L Llamas-Saiz

  113. MVM(STRAIN I), COMPLEX(VIRAL COAT/DNA), VP2, PH=7.5, T=4 DEGREES C

    Article • February 1998, Protein Data Bank, Rutgers University

    Dr Antonio L Llamas-Saiz

  114. Temperature-Dependent Phase Transitions in Two Crystalline Host–Guest Complexes Derived from Mandelic Acid

    Article • Acta Crystallographica Section B Structural Science, February 1998, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  115. Studies of intramolecular hydrogen bonds (IMHB): crystal and molecular structure of 2-(2′-hydroxy-phenyl)imidazoles

    Article • Journal of Molecular Structure, January 1998, Elsevier

    Dr Antonio L Llamas-Saiz

  116. Structure of 3-nitropyrazole in solution and in the solid state

    Article • Journal of Physical Organic Chemistry, August 1997, Wiley

    Dr Antonio L Llamas-Saiz, Dr. Nadine jagerovic

  117. Synthesis and molecular structure of new O/N/O ligands: Bis-phenol-pyridine and bis-phenol-pyrazole

    Article • Tetrahedron, August 1997, Elsevier

    Dr Antonio L Llamas-Saiz, Dr. Nadine jagerovic

  118. Photophysics of the 2-(2′-hydroxyphenyl)perimidines: Photostability studies

    Article • Journal of Luminescence, July 1997, Elsevier

    Dr Antonio L Llamas-Saiz

  119. Aromatic propellenes. Part 8.† Semiempirical calculations and DNMR studies of hexakis(pyrazol-1-yl)benzenes

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1997, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  120. Theoretical study of the structure and tautomerism of N 1-unsubstituted pyrazoles in the solid state

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1997, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  121. Molecular structure and dynamics of C-1-adamantyl substituted N-unsubstituted pyrazoles studied by solid state NMR spectroscopy and X-ray crystallography

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1997, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  122. Structure Determination of Minute Virus of Mice

    Article • Acta Crystallographica Section D Biological Crystallography, January 1997, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  123. Structural Analysis of a Mutation in Canine Parvovirus Which Controls Antigenicity and Host Range

    Article • Virology, November 1996, Elsevier

    Dr Antonio L Llamas-Saiz

  124. 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...

    Article • Tetrahedron, October 1996, Elsevier

    Dr Antonio L Llamas-Saiz

  125. Aromatic propellenes. Part 2. Study of conformational isomerism of hexa(pyrazol-1-yl)benzene: X-ray crystallography and semiempirical calculations

    Article • Journal of Physical Organic Chemistry, March 1996, Wiley

    Dr Antonio L Llamas-Saiz

  126. 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

    Article • Journal of Physical Organic Chemistry, January 1996, Wiley

    Dr Antonio L Llamas-Saiz

  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

    Article • Journal of Physical Organic Chemistry, January 1996, Wiley

    Dr Antonio L Llamas-Saiz

  128. The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State

    Article • Acta Crystallographica Section C Crystal Structure Communications, July 1995, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  129. A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid

    Article • Acta Crystallographica Section C Crystal Structure Communications, July 1995, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  130. Ab initio study of the effect of N-substituents on properties of pyrazoles

    Article • Tetrahedron, June 1995, Elsevier

    Dr Antonio L Llamas-Saiz

  131. Preparation of Highly Functionalized Imidazoles from α-Azidoacetonitrile: X-ray Crystal Structure of 4-Methoxy-2-methylamino-5-methylthiocarbamoylimidazole

    Article • Synthesis, April 1995, Thieme Publishing Group

    Dr Antonio L Llamas-Saiz

  132. The geometry of pyrazole: A test forab initiocalculations

    Article • Journal of Computational Chemistry, March 1995, Wiley

    Dr Antonio L Llamas-Saiz

  133. 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

    Article • Journal of Physical Organic Chemistry, March 1995, Wiley

    Dr Antonio L Llamas-Saiz

  134. Aromatic propellenes. Part 1. NMR spectroscopy, X-ray crystal and molecular structure of hexa(3,5-dimethylpyrazol-1-yl)benzene

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1995, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz, Dr. Nadine jagerovic

  135. 2-Arylperimidine derivatives. Part 1. Synthesis, NMR spectroscopy, X-ray crystal and molecular structures

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1995, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  136. 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

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1995, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  137. Proton sponges

    Article • Journal of Molecular Structure, December 1994, Elsevier

    Dr Antonio L Llamas-Saiz

  138. 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)

    Article • Acta Crystallographica Section B Structural Science, December 1994, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  139. 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

    Article • Supramolecular Chemistry, November 1994, Taylor & Francis

    Dr Antonio L Llamas-Saiz

  140. Preparation of [5 + 6]-, [6 + 6]-, and [6 + 7]-Bicyclic Guanidines fromC,C'-Bis(iminophosphoranes)

    Article • Chemische Berichte, September 1994, Wiley

    Dr Antonio L Llamas-Saiz

  141. Tris(pyrazol-1-yl)-s-triazine (TPT): X-ray crystallographic, computational, and gas-phase electron diffraction studies

    Article • Structural Chemistry, August 1994, Springer Science + Business Media

    Dr Antonio L Llamas-Saiz

  142. Proton transfer in solid heterocycles: An X-ray and CPMAS NMR study

    Article • Journal of Heterocyclic Chemistry, May 1994, Wiley

    Dr Antonio L Llamas-Saiz

  143. The influence of the substituent at the nitrogen atom on the molecular structure of pyrazoles: a crystallographic statistical survey versus ab initio calculations

    Article • Journal of Molecular Structure, March 1994, Elsevier

    Dr Antonio L Llamas-Saiz

  144. Complexes of rhodium and iridium derived from 2,5-bis(pyrazol-1′-yl)-1,4-dihydroxybenzene

    Article • Journal of Organometallic Chemistry, March 1994, Elsevier

    Dr Antonio L Llamas-Saiz

  145. Substitution effects on the structure of o-aryliminophosphoranes

    Article • Acta Crystallographica Section C Crystal Structure Communications, February 1994, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  146. 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)

    Article • Helvetica Chimica Acta, February 1994, Wiley

    Dr Antonio L Llamas-Saiz

  147. 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

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1994, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  148. Structure of 3(5)-methyl-4-nitropyrazole in the solid state: tautomerism, crystallography and the problem of desmotropy

    Article • Journal of the Chemical Society Chemical Communications, January 1994, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  149. Iminophosphorane-substituted proton sponges. Part 5. Structures in the solid state. Correlation between solid state31P MAS NMR spectra and crystal structures

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1994, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  150. N-Aminoazoles. Part 3. Molecular structure and multinuclear NMR study of 1,3-diaminobenzimidazolium chloride hydrate and 1-amino-3-methylbenzimidazolium iodide

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1994, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  151. Adamantylation of N-Unsubstituted Pyrazole Derivatives: Mechanistic and Structural Studies

    Article • Heterocycles, January 1994, Japan Institute of Heterocyclic Chemistry

    Dr Antonio L Llamas-Saiz

  152. Structural and semiempirical studies of 2-arylperimidine derivatives

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 1993, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  153. 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...

    Article • Tetrahedron, August 1993, Elsevier

    Dr Antonio L Llamas-Saiz

  154. 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

    Article • Supramolecular Chemistry, July 1993, Taylor & Francis

    Dr Antonio L Llamas-Saiz

  155. (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

    Article • Acta Crystallographica Section C Crystal Structure Communications, April 1993, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  156. Crystal structures of 2-(2-methoxyphenyl) perimidine and its hemihydrate

    Article • April 1993, Springer Science + Business Media

    Dr Antonio L Llamas-Saiz

  157. Geometrical characteristics of four-coordinate complexes of Ni, Pd, and Pt containing triphenylphosphine as ligand

    Article • Monatshefte für Chemie - Chemical Monthly, March 1993, Springer Science + Business Media

    Dr Antonio L Llamas-Saiz

  158. 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

    Article • Journal of Molecular Structure, February 1993, Elsevier

    Dr Antonio L Llamas-Saiz

  159. N-aminoazoles. Part 2. Basicity and protonation site of N-aminoazoles: an experimental (pKa,13C and15N NMR spectroscopy and crystallography) and theoretical study

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1993, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  160. Iminophosphorane-substituted proton sponges. Part 4. Comparison of X-ray molecular structures with solution properties (pKa,1H and13C NMR spectroscopy)

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1993, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  161. Synthesis and structure of new hosts related to 9,9′-bianthryl

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1993, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  162. 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

    Article • Journal of the Chemical Society Chemical Communications, January 1993, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  163. 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

    Article • Journal of Inclusion Phenomena and Macrocyclic Chemistry, January 1993, Springer Science + Business Media

    Dr Antonio L Llamas-Saiz

  164. Effect of the protonation and of the ortho substitution on the structure of aryliminophosphoranes

    Article • Acta Crystallographica Section C Crystal Structure Communications, November 1992, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  165. Nature of the hydrogen bond: crystallographic versus theoretical description of the O-H...N(sp 2) hydrogen bond

    Article • Acta Crystallographica Section B Structural Science, October 1992, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  166. 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

    Article • Journal of Physical Organic Chemistry, August 1992, Wiley

    Dr Antonio L Llamas-Saiz

  167. Structure of 3,5-pyrazoledimethanol: an X-ray and 13C solid-state NMR study

    Article • Acta Crystallographica Section C Crystal Structure Communications, April 1992, International Union of Crystallography

    Dr Antonio L Llamas-Saiz

  168. New chiral selectors derived from lactic acid. Cocrystalline and sorptive optical resolutions, and the crystal structure of an inclusion complex with 3-methylcyclohexanone

    Article • Journal of the Chemical Society Chemical Communications, January 1992, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  169. 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

    Article • Journal of the Chemical Society Chemical Communications, January 1992, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  170. 2,4-Bisimino-1,3-diazetidines: iminophosphoranes, carbodiimides and related betaines

    Article • Journal of the Chemical Society Perkin Transactions 1, January 1992, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  171. Iminophosphorane-substituted proton sponges. Part 3. Preparation and crystal structure of three salts of protonated 1-dimethylamino-8-triphenylphosphoranylideneammonionaphthalene

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1991, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  172. The X-ray crystal structure of a ternary cocrystallization compound: N,N-dimethyl-o-phenylenediamine–fluoroboric acid–triphenylphosphine oxide

    Article • Journal of the Chemical Society Chemical Communications, January 1991, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  173. Iminophosphorane-substituted proton sponges. Part 2. Preparation and crystal structure of four phosphoranylideneammonionaphthalene derivatives

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1991, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  174. Iminophosphorane-substituted proton sponges. Part 1. X-ray molecular structures of 1,8-diaminonaphthalene and 1-amino-8-triphenylphosphoranylideneaminonaphthalene

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1991, Royal Society of Chemistry

    Dr Antonio L Llamas-Saiz

  175. N⋯Nsp2 hydrogen interactions in organic crystals

    Article • Journal of Molecular Structure, October 1990, Elsevier

    Dr Antonio L Llamas-Saiz

  176. 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...

    Article • Tetrahedron, January 1990, Elsevier

    Dr Antonio L Llamas-Saiz

  177. 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

    Article • Liebigs Annalen der Chemie, November 1989, Wiley

    Dr Antonio L Llamas-Saiz