XRD1 Publications

Page 11 of 28

2014

  1. 8-Substituted O6-Cyclohexylmethylguanine CDK2 Inhibitors: Using Structure-Based Inhibitor Design to Optimize an Alternative Binding Mode
    Carbain B., Paterson D.J., Anscombe E., Campbell A.J., Cano C., Echalier A., Endicott J.A., Golding B.T., Haggerty K., Hardcastle I.R., Jewsbury P.J., Newell D.R., Noble M.E.M., Roche C., Wang L.Z., Griffin R.J.
    Journal of Medicinal Chemistry, Vol. 57 - 1, pp. 56-70 (2014)
    doi: 10.1021/jm401555v (Journal Article)
  2. A Crystalline 2,3-exo-Disyndiotactic Dicyclopentadiene Tetramer
    Rapallo A., Ricci G., Porzio W., Arrighetti G., Leone G.
    Crystal Growth and Design, Vol. 14 - 11, pp. 5767-5772 (2014)
    doi: 10.1021/cg501033f (Journal Article)
  3. A Novel Series of CoIII(salen-type) Complexes Containing a Seven-Membered Metallacycle: Synthesis, Structural Characterization and Factors Affecting the Metallacyclization Rate
    Siega P., Dreos R., Brancatelli G., Zangrando E., Tavagnacco C., Vrdoljak V., Hrenar T.
    Organometallics, Vol. 33 - 4, pp. 909-920 (2014)
    doi: 10.1021/om401038v (Journal Article)
  4. Active Form of the Protein Kinase CK2 α2β2 Holoenzyme Is a Strong Complex with Symmetric Architecture
    Lolli G., Ranchio A., Battistutta R.
    ACS Chemical Biology, Vol. 9 - 2, pp. 366-371 (2014)
    doi: 10.1021/cb400771y (Journal Article)
  5. Air-stable organic semiconductors based on 6,6[prime or minute]-dithienylindigo and polymers thereof
    Glowacki E.D., Apaydin D.H., Bozkurt Z., Monkowius U., Demirak K., Tordin E., Himmelsbach M., Schwarzinger C., Burian M., Lechner R.T., Demitri N., Voss G., Sariciftci N.S.
    Journal of Materials Chemistry C, Vol. 2 - 38, pp. 8089-8097 (2014)
    doi: 10.1039/C4TC00651H (Journal Article)
  6. Allostery and Conformational Dynamics in cAMP-binding Acyltransferases
    Podobnik M., Siddiqui N., Rebolj K., Nambi S., Merzel F., Visweswariah S.S.
    Journal of Biological Chemistry, Vol. 289 - 23, pp. 16588-16600 (2014)
    doi: 10.1074/jbc.M114.560086 (Journal Article)
  7. An irresolute linker: separation, and structural and spectroscopic characterization of the two linkage isomers of a Ru(ii)-(2-(2[prime or minute]-pyridyl)pyrimidine-4-carboxylic acid) complex
    Iengo E., Demitri N., Balducci G., Alessio E.
    Dalton Transactions, Vol. 43 - 32, pp. 12160-12163 (2014)
    doi: 10.1039/C4DT01282H (Journal Article)
  8. Analogies and Differences in Palladium-Catalyzed CO/Styrene and Ethylene/Methyl Acrylate Copolymerization Reactions
    Rosar V., Meduri A., Montini T., Fini F., Carfagna C., Fornasiero P., Balducci G., Zangrando E., Milani B.
    ChemCatChem, Vol. 6 - 8, pp. 2403-2418 (2014)
    doi: 10.1002/cctc.201402192 (Journal Article)
  9. Cell-permeable dual inhibitors of protein kinases CK2 and PIM-1: structural features and pharmacological potential
    Cozza G., Girardi C., Ranchio A., Lolli G., Sarno S., Orzeszko A., Kazimierczuk Z., Battistutta R., Ruzzene M., Pinna L.
    Cellular and Molecular Life Sciences, Vol. 71 - 16, pp. 3173-3185 (2014)
    doi: 10.1007/s00018-013-1552-5 (Journal Article)
  10. Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of glyceraldehyde-3-phosphate dehydrogenase from Streptococcus agalactiae NEM316
    Nagarajan R., Ponnuraj K.
    Acta Crystallographica Section F:Structural Biology Communications, Vol. 70 - 7, pp. 938-941 (2014)
    doi: 10.1107/S2053230X14011418 (Journal Article)
  11. Collapse of the native structure caused by a single amino acid exchange in human NAD(P)H:quinone oxidoreductase1
    Lienhart W., Gudipati V., Uhl M.K., Binter A., Pulido S.A., Saf R., Zangger K., Gruber K., Macheroux P.
    FEBS Journal, Vol. 281 - 20, pp. 4691-4704 (2014)
    doi: 10.1111/febs.12975 (Journal Article)
  12. Crystal structure of PfbA, a surface adhesin of Streptococcus pneumoniae, provides hints into its interaction with fibronectin
    Beulin D.S.J., Yamaguchi M., Kawabata S., Ponnuraj K.
    International Journal of Biological Macromolecules, Vol. 64, pp. 168-173 (2014)
    doi: 10.1016/j.ijbiomac.2013.11.035 (Journal Article)
  13. Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans
    Sabala I., Jagielska E., Bardelang P.T., Czapinska H., Dahms S.O., Sharpe J.A., James R., Than M.E., Thomas N.R., Bochtler M.
    The FEBS journal, Vol. 281 - 18, pp. 4112-4122 (2014)
    doi: 10.1111/febs.12929 (Journal Article)
  14. Customizing Properties of β-Chitin in Squid Pen (Gladius) by Chemical Treatments
    Ianiro A., Giosia M., Fermani S., Samorì C., Barbalinardo M., Valle F., Pellegrini G., Biscarini F., Zerbetto F., Calvaresi M., Falini G.
    Marine Drugs, Vol. 12 - 12, pp. 5979-5992 (2014)
    doi: 10.3390/md12125979 (Journal Article)
  15. Effect of Oil Type on Formation, Structure and Thermal Properties of γ-oryzanol and β-sitosterol-Based Organogels
    Calligaris S., Mirolo G., Da Pieve S., Arrighetti G., Nicoli M.
    Food Biophysics, Vol. 9 - 1, pp. 69-75 (2014)
    doi: 10.1007/s11483-013-9318-z (Journal Article)
  16. Effect of pressure on octahedral distortions in R CrO 3 ( R = Lu, Tb, Gd, Eu, Sm): the role of R-ion size and its implications
    Bhadram V.S., Swain D., Dhanya R., Polentarutti M., Sundaresan A., Narayana C.
    Materials Research Express, Vol. 1 - 2, 026111 (2014)
    doi: 10.1088/2053-1591/1/2/026111 (Journal Article)
  17. Enhancing the Charge Transport in Solution-Processed Perylene Di-imide Transistors via Thermal Annealing of Metastable Disordered Films
    Ferlauto L., Liscio F., Orgiu E., Masciocchi N., Guagliardi A., Biscarini F., Samorì P., Milita S.
    Advanced Functional Materials, Vol. 24 - 35, pp. 5503-5510 (2014)
    doi: 10.1002/adfm.201400789 (Journal Article)
  18. Factors driving the self-assembly of water-soluble calix[4]arene and gemini guests: a combined solution, computational and solid-state study
    Bonaccorso C., Brancatelli G., Forte G., Arena G., Geremia S., Sciotto D., Sgarlata C.
    RSC Advances, Vol. 4 - 96, pp. 53575-53587 (2014)
    doi: 10.1039/C4RA09353D (Journal Article)
  19. Formation and Structure of a Cobalt(III) Complex Containing a Nonstabilized Pyridinium Ylide Ligand
    Siega P., Dreos R., Brancatelli G., Demitri N., Geremia S.
    Organometallics, Vol. 33 - 21, pp. 6076-6080 (2014)
    doi: 10.1021/om5007374 (Journal Article)
  20. High-pressure structural behaviour of HoVO4 : combined XRD experiments and ab initio calculations
    Garg A.B., Errandonea D., Rodríguez-Hernández P., López-Moreno S., Muñoz A., Popescu C.
    Journal of Physics Condensed Matter, Vol. 26 - 26, 265402 (2014)
    doi: 10.1088/0953-8984/26/26/265402 (Journal Article)
  21. Hydrogen bond-assisted solid-state formation of a salt-bridged calix[5]arene pseudo-dimer
    Brancatelli G., Pappalardo S., Gattuso G., Notti A., Pisagatti I., Parisi M.F., Geremia S.
    CrystEngComm, Vol. 16 - 1, pp. 89-93 (2014)
    doi: 10.1039/c3ce41667d (Journal Article)
  22. Identification of promiscuous ene-reductase activity by mining structural databases using active site constellations
    Steinkellner G., Gruber C.C., Pavkov-Keller T., Binter A., Steiner K., Winkler C., Łyskowski A., Schwamberger O., Oberer M., Schwab H., Faber K., MacHeroux P., Gruber K.
    Nature Communications, Vol. 5, 4150 (2014)
    doi: 10.1038/ncomms5150 (Journal Article)
  23. Impact of Stereochemistry on Ligand Binding: X-ray Crystallographic Analysis of an Epoxide-Based HIV Protease Inhibitor
    Benedetti F., Berti F., Campaner P., Fanfoni L., Demitri N., Olajuyigbe F.M., De March M., Geremia S.
    ACS Medicinal Chemistry Letters, Vol. 5 - 9, pp. 968-972 (2014)
    doi: 10.1021/ml500092e (Journal Article)
  24. Laser irradiation of carbon-tungsten materials
    Marcu A., Avotina L., Marin A., Lungu C.P., Grigorescu C.E.A., Demitri N., Ursescu D., Porosnicu C., Osiceanu P., Kizane G., Grigoriu C.
    Journal of Physics D: Applied Physics, Vol. 47 - 35, 355305 (2014)
    doi: 10.1088/0022-3727/47/35/355305 (Journal Article)
  25. Leveraging the Ambipolar Transport in Polymeric Field-Effect Transistors via Blending with Liquid-Phase Exfoliated Graphene
    El Gemayel M., Haar S., Liscio F., Schlierf A., Melinte G., Milita S., Ersen O., Ciesielski A., Palermo V., Samorì P.
    Advanced Materials, Vol. 26 - 28, pp. 4814-4819 (2014)
    doi: 10.1002/adma.201400895 (Journal Article)
  26. Microstructure of an Al–Mn–Be–B alloy
    Zupanič F., Bončina T.
    Journal of Alloys and Compounds, Vol. 617, pp. 174-179 (2014)
    doi: 10.1016/j.jallcom.2014.07.212 (Journal Article)
  27. Monoglyceride self-assembled structure in O/W emulsion: formation, characterization and its effect on emulsion properties
    Mao L., Calligaris S., Barba L., Miao S.
    Food Research International, Vol. 58, pp. 81-88 (2014)
    doi: 10.1016/j.foodres.2014.01.042 (Journal Article)
  28. Multitarget Drug Design Strategy: Quinone-Tacrine Hybrids Designed To Block Amyloid-β Aggregation and To Exert Anticholinesterase and Antioxidant Effects
    Nepovimova E., Uliassi E., Korabecny J., Peña-Altamira L.E., Samez S., Pesaresi A., Garcia G.E., Bartolini M., Andrisano V., Bergamini C., Fato R., Lamba D., Roberti M., Kuca K., Monti B., Bolognesi M.L.
    Journal of Medicinal Chemistry, Vol. 57 - 20, pp. 8576-8589 (2014)
    doi: 10.1021/jm5010804 (Journal Article)
  29. Mutual effect of fat and β-carotene on fat crystal network structure and carotenoid bleaching
    Calligaris S., Valoppi F., Barba L., Anese M., Nicoli M.C.
    Food Research International, Vol. 66, pp. 257-263 (2014)
    doi: 10.1016/j.foodres.2014.09.020 (Journal Article)
  30. Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase
    Tarantino D., Pezzullo M., Mastrangelo E., Croci R., Rohayem J., Robel I., Bolognesi M., Milani M.
    Antiviral Research, Vol. 102 - 1, pp. 23-28 (2014)
    doi: 10.1016/j.antiviral.2013.11.016 (Journal Article)
  31. Networks of superconducting nano-puddles in 1/8 doped YBa2Cu3O6.5+y controlled by thermal manipulation
    Ricci A., Poccia N., Campi G., Coneri F., Barba L., Arrighetti G., Polentarutti M., Burghammer M., Sprung M., Zimmermann Mv, Bianconi A.
    New Journal of Physics, Vol. 16, 053030 (2014)
    doi: 10.1088/1367-2630/16/5/053030 (Journal Article)
  32. New Water-Soluble Ruthenium(II) Terpyridine Complexes for Anticancer Activity: Synthesis, Characterization, Activation Kinetics, and Interaction with Guanine Derivatives
    Rilak A., Bratsos I., Zangrando E., Kljun J., Turel I., Bugarčić Z.D., Alessio E.
    Inorganic Chemistry, Vol. 53 - 12, pp. 6113-6126 (2014)
    doi: 10.1021/ic5005215 (Journal Article)
  33. Nitrate as a probe of cytochrome c surface: Crystallographic identification of crucial "hot spots" for protein-protein recognition
    De March M., Demitri N., De Zorzi R., Casini A., Gabbiani C., Guerri A., Messori L., Geremia S.
    Journal of Inorganic Biochemistry, Vol. 135, pp. 58-67 (2014)
    doi: 10.1016/j.jinorgbio.2014.02.015 (Journal Article)
  34. Novel chiral (salen)Mn(iii) complexes containing a calix[4]arene unit in 1,3-alternate conformation as catalysts for enantioselective epoxidation reactions of (Z)-aryl alkenes
    Bonaccorso C., Brancatelli G., Ballistreri F.P., Geremia S., Pappalardo A., Tomaselli G.A., Toscano R.M., Sciotto D.
    Dalton Transactions, Vol. 43 - 5, pp. 2183-2193 (2014)
    doi: 10.1039/c3dt52550c (Journal Article)
  35. On the packing and the orientation of P(NDI2OD-T2) at low molecular weight
    Porzio W., Scavia G., Barba L., Arrighetti G., McNeill C.R.
    European Polymer Journal, Vol. 61 - 1, pp. 172-185 (2014)
    doi: 10.1016/j.eurpolymj.2014.10.005 (Journal Article)
  36. Phase transitions in Eu doped BiFeO3: High pressure Raman spectroscopy and X-ray diffraction studies
    Basu A., Mukherjee G.D.
    Solid State Communications, Vol. 189, pp. 5-9 (2014)
    doi: 10.1016/j.ssc.2014.03.003 (Journal Article)
  37. Poly(styrene)/oligo(fluorene)-intercalated fluoromica hybrids: synthesis, characterization and self-assembly
    Leone G., Galeotti F., Porzio W., Scavia G., Barba L., Arrighetti G., Ricci G., Botta C., Giovanella U.
    Beilstein Journal of Nanotechnology, Vol. 5 - 1, pp. 2450-2458 (2014)
    doi: 10.3762/bjnano.5.254 (Journal Article)
  38. Pressure-induced amorphization of charge ordered spinel AlV 2O4 at low temperature
    Malavi P.S., Karmakar S., Polentarutti M., Sharma S.M.
    AIP Conference Proceedings, Vol. 1591, pp. 1758-1760 (2014)
    doi: 10.1063/1.4873103 (Journal Article)
  39. Probing the Inner Space of Salt-Bridged Calix[5]arene Capsules
    Brancatelli G., Gattuso G., Geremia S., Notti A., Pappalardo S., Parisi M.F., Pisagatti I.
    Organic Letters, Vol. 16 - 9, pp. 2354-2357 (2014)
    doi: 10.1021/ol500673n (Journal Article)
  40. Pure magnetic hard fct FePt nanoparticles: Chemical synthesis, structural and magnetic properties correlations
    Suber L., Marchegiani G., Olivetti E.S., Celegato F., Coïsson M., Tiberto P., Allia P., Barrera G., Pilloni L., Barba L., Padella F., Cossari P., Chiolerio A.
    Materials Chemistry and Physics, Vol. 144 - 1-2, pp. 186-193 (2014)
    doi: 10.1016/j.matchemphys.2013.12.041 (Journal Article)
  41. Raman scattering study of InAs nanowires under high pressure
    Majumdar D., Basu A., Mukherjee G.D., Ercolani D., Sorba L., Singha A.
    Nanotechnology, Vol. 25 - 46, 465704 (2014)
    doi: 10.1088/0957-4484/25/46/465704 (Journal Article)
  42. Raman spectroscopy and x-ray diffraction studies on 9R-BaRuO3 at high pressures: Indication of
    Mandal G., Basu A., Mukherjee G.D.
    Materials Research Express, Vol. 1 - 3, 035701 (2014)
    doi: 10.1088/2053-1591/1/3/035701 (Journal Article)
  43. Resveratrol and Its Metabolites Bind to PPARs
    Calleri E., Pochetti G., Dossou K.S.S., Laghezza A., Montanari R., Capelli D., Prada E., Loiodice F., Massolini G., Bernier M., Moaddel R.
    ChemBioChem, Vol. 15 - 8, pp. 1154-1160 (2014)
    doi: 10.1002/cbic.201300754 (Journal Article)
  44. Rietveld texture analysis from synchrotron diffraction images. I. Calibration and basic analysis
    Lutterotti L., Vasin R., Wenk H.
    Powder Diffraction, Vol. 29 - 1, pp. 76-84 (2014)
    doi: 10.1017/S0885715613001346 (Journal Article)
  45. Selectivity assessment in host-guest complexes from single-crystal X-ray diffraction data: the cavitand-alcohol case
    De Zorzi R., Brancatelli G., Melegari M., Pinalli R., Dalcanale E., Geremia S.
    CrystEngComm, Vol. 16 - 48, pp. 10987-10996 (2014)
    doi: 10.1039/c4ce01813c (Journal Article)
  46. Self-Organization of Functional Materials in Confinement
    Gentili D., Valle F., Albonetti C., Liscio F., Cavallini M.
    Accounts of Chemical Research, Vol. 47 - 8, pp. 2692-2699 (2014)
    doi: 10.1021/ar500210d (Journal Article)
  47. Structural and denaturation studies of two mutants of a cold adapted superoxide dismutase point to the importance of electrostatic interactions in protein stability
    Merlino A., Russo Krauss I., Castellano I., Ruocco M.R., Capasso A., De Vendittis E., Rossi B., Sica F.
    Biochimica et Biophysica Acta - Proteins and Proteomics, Vol. 1844 - 3, pp. 632-640 (2014)
    doi: 10.1016/j.bbapap.2014.01.007 (Journal Article)
  48. Structural and optical investigations of Fe 1.03 Se 0.5 Te 0.5 under high pressure
    Malavi P.S., Karmakar S., Patel N.N., Bhatt H., Sharma S.M.
    Journal of Physics Condensed Matter, Vol. 26 - 12, 125701 (2014)
    doi: 10.1088/0953-8984/26/12/125701 (Journal Article)
  49. Structural basis for the rational design of new anti-Brucella agents: The crystal structure of the C366S mutant of l-histidinol dehydrogenase from Brucella suis
    D'ambrosio K., Lopez M., Dathan N.A., Ouahrani-Bettache S., Köhler S., Ascione G., Monti S.M., Winum J., De Simone G.
    Biochimie, Vol. 97 - 1, pp. 114-120 (2014)
    doi: 10.1016/j.biochi.2013.09.028 (Journal Article)
  50. Structural modifications induced by the switch from an endogenous bis-histidyl to an exogenous cyanomet hexa-coordination in a tetrameric haemoglobin
    Mazzarella L., Merlino A., Vitagliano L., Verde C., di Prisco G., Peisach J., Vergara A.
    RSC Advances, Vol. 4 - 49, pp. 25852-25856 (2014)
    doi: 10.1039/C4RA03317E (Journal Article)
  51. Structural tuning of quinoxaline-benzodithiophene copolymers via alkyl side chain manipulation: synthesis, characterization and photovoltaic properties
    Tessarolo M., Gedefaw D., Bolognesi M., Liscio F., Henriksson P., Zhuang W., Milita S., Muccini M., Wang E., Seri M., Andersson M.R.
    Journal of Materials Chemistry A, Vol. 2 - 29, pp. 11162-11170 (2014)
    doi: 10.1039/C4TA01479K (Journal Article)
  52. Structure and stability of an unusual zinc-binding protein from Bacteroides thetaiotaomicron
    Knaus T., Uhl M.K., Monschein S., Moratti S., Gruber K., Macheroux P.
    Biochimica et Biophysica Acta - Proteins and Proteomics, Vol. 1844 - 12, pp. 2298-2305 (2014)
    doi: 10.1016/j.bbapap.2014.08.008 (Journal Article)
  53. Sulfolobus solfataricus thiol redox puzzle: characterization of an atypical protein disulfide oxidoreductase
    Limauro D., De Simone G., Pirone L., Bartolucci S., D'Ambrosio K., Pedone E.
    Extremophiles, Vol. 18 - 2, pp. 219-228 (2014)
    doi: 10.1007/s00792-013-0607-8 (Journal Article)
  54. Synthesis and anion binding properties of new dihomooxacalix[4]arene diurea and dithiourea receptors
    Marcos P.M., Teixeira F.A., Segurado M.A.P., Ascenso J.R., Bernardino R.J., Brancatelli G., Geremia S.
    Tetrahedron, Vol. 70 - 37, pp. 6497-6505 (2014)
    doi: 10.1016/j.tet.2014.07.020 (Journal Article)
  55. Temperature Dependence of √ 2 × √ 2 Phase in Superconducting K0.8Fe1.6Se2 Single Crystal
    Ricci A., Joseph B., Poccia N., Campi G., Saini N.L., Bianconi A.
    Journal of Superconductivity and Novel Magnetism, Vol. 27 - 4, pp. 1003-1007 (2014)
    doi: 10.1007/s10948-013-2426-7 (Journal Article)
  56. Wigner-Mott insulator-to-insulator transition at pressure in charge-ordered Fe2OBO3
    Diguet G., Hearne G.R., Sibanda W.N., Carleschi E., Musyimi P., Pischedda V., Attfield J.P.
    Physical Review B - Condensed Matter and Materials Physics, Vol. 89 - 3, 035132 (2014)
    doi: 10.1103/PhysRevB.89.035132 (Journal Article)
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