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Attività di ricerca
Research activities

Laboratory of Applied Computational
Biocatalysis

SELECTED PUBLICATIONS

  1. Cantone S., Ferrario V., Corici L., Ebert C., Fattor D., Spizzo P., Gardossi L., “Efficient immobilization of industrial biocatalyst: criteria and constraintsfor the selection of organic polymeric carriers and immobilization methods”, Chem Soc Rev, 2013, in press.
  2. Ebert C., Felluga F., Forzato C., Foscato M., Gardossi L., Nitti P., Pitacco G., Boga C., Caruana P., Micheletti G., Calonghi N., Masotti L., “Enzymatic kinetic resolution of hydroxystearic acids: A combined experimental and molecular modelling investigation”, J. Mol. Cat. B., 2012, 83. 38– 45
  3. Braiuca P., Khaliullin I., Svedas V., Knapic L., Fermeglia M., Halling P.J., Gardossi L. “BESSICC, a COSMO-RS Based Tool for In Silico Solvent Screening of Biocatalyzed Reactions”, Biotech. Bioeng., 2012, 109, 1864-1868.. DOI: 10.1002/bit.24439
  4. Cantone S., Spizzo P., Fattor D., Ferrario V., Ebert C., Gardossi L., Lipases for bio-based chemistry. Efficient immobilised biocatalysts for competitive biocatalysed processes” Monographic supplement series: Catalysis applications - chimica oggi/Chemistry Today, 2012, 30, 22-26.
  5. Ferrario V., Braiuca P., Tessaro P., Knapic L., Gruber C., Pleiss J., Ebert C., Eichhorn E., Gardossi L. “Elucidating the structural and conformational factors responsible for the activity and substrate specificity of alkanesulfonate monooxygenase”, J. Biomol. Struct. Dyn.”, 2012, 30, 74-88.
  6. Ferrario V., Ebert C., Knapic L., Fattor D., Basso A., Spizzo P., Gardossi L.. “Conformational changes of lipases in aqueous media: a comparative computational study and experimental implications”, Adv. Synth. Catal. 2011, 353, 2466 – 2480
  7. Al-Zuhair S., Ramachandran K. B., Farid M., Vadlani P., Ramakrishnan S. and Gardossi L., “Enzymes in Biofuels Production,” Enzyme Research, vol. 2011, Article ID 658263, 2 pages, 2011. doi:10.4061/2011/658263
  8. Pace V., Cabrera C. A., Ferrario V., Sinisterra V. J., Ebert C., Gardossi L., Braiuca P., Alcántara R. A., „Structural bases for understanding the stereoselectivity in ketone reductions with ADH from Thermus thermophilus: A quantitative model”, J. Mol. Cat. B., 2011, 70, 23-31.
  9. Gardossi L., Poulsen P.B., Ballesteros A., Hult K., Vytas K. Švedas V.K., Vasic'-Rac(ki D., Carrea G., Magnusson A, Schmid A., Wohlgemuth R., J. Halling P.J., “Guidelines for reporting of biocatalytic reactions”, Trends Biotechnol., 2010, 28, 171-180.
  10. Gardossi L., Halling P.J., “Guidelines for reporting of biocatalytic reactions”, Proceedings of the 4th International Symposium on Experimental Standard Conditions Of Enzyme Characterizations, Hicks M.G., Kettner C. Eds., Logos Verlag Berlin, 2010, 187-204.
  11. Ricca E., Calabrò V., Curcio S., Iorio G., Gardossi L., Basso A., “Fructose production by inulinase covalently immobilized on Sepabeads in batch and fluidized bed bioreactor”, Int. J. Mol.Sci, 2010, 11, 1180-1189.
  12. Basso A., Spizzo P., Ferrario V., Knapic L., Savko N., Braiuca P., Ebert C., Ricca E., Calabrò V., Gardossi L., “Endo and exoinulinases: enzyme-substrate interaction and rational immobilisation“, Biotechnol. Progr., 2010, 26, 397-405.
  13. Gardossi, L., Molinari, F., “ Biocatalytic processes”, in “Catalysis” Ed. Gabriele Centi, Encyclopedy of Life Support Systems-EOLSS, UNESCO (United Nations Educational, Scientific and Cultural Organization). http://www.eolss.net/outlinecomponents/Catalysis.aspx
  14. Braiuca P., Knapic L., Ferrario V., Ebert C., Gardossi L., “A Three-Dimensional Quanititative Structure-Activity Relationship (3D-QSAR) Model for Predicting the Enantioselectivity of Candida antarctica Lipase B”, Adv. Synth. Catal. 2009, 351, 1293 – 1302.
  15. Basso A., Sinigoi L., Gardossi L., Flitsch S., “Effect of Microwave Radiation on Enzymatic and Chemical Peptide Bond Synthesis on Solid Phase”, International Journal of Peptides, Volume 2009, Article ID 362482, 4 pages doi:10.1155/2009/362482.
  16. Chiaruttini C., Vicario A., Lib Z., Baja G., Braiuca P., Wu Y., Lee F. S., Gardossi L., Baraban J. M., Tongiorgi E., “Dendritic trafficking of BDNF mRNA is mediated by translin and blocked by the G196A (Val66Met) mutation”, Proc. Natl. Acad. Sci. USA 2009, 106, 16481-16486.
  17. Sinigoi L., Bravin P., Ebert C., D’Amelio N., Vaccari L.,| Ciccarelli L., Cantone S., Basso A., Gardossi L., “Synbeads Porous-Rigid Methacrylic Support: Application to Solid Phase Peptide Synthesis and Characterization of the Polymeric Matrix by FTIR Microspectroscopy and High Resolution Magic Angle Spinning NMR”, J. Comb. Chem. 2009, 11, 835–845.
  18. Molinari F., Romano D., Gandolfi R., Gardossi L., Hanefeld U., Converti A., Spizzo P., “Direct esterification with dry mycelium of moulds: a (stereo)selective, mild and efficient method to obtain structurally different esters”, Modern Biocatalysis, pag. 79-91, T. Anthonsen, W. Fessner Eds., 2008 Wiley-VCH, Weinheim, Germany.
  19. Hanefeld U., Gardossi L., Magner E., “Understanding Enzyme Immobilisation”, Chem. Soc. Rev., 2009, 38, 453-468.
  20. Basso A., Gardossi L., Halling P., Cantone S., Ebert C. “Biocatalysis with undissolved solid substrates and products”, pag. 279-301 in “Organic synthesis with enzymes in non-aqueous media”, pag. 279-301, Carrea G. and Riva S. Eds., 2008 Wiley-VCH Verlag GmbH &Co. KGaA, Weinheim, Germany.
  21. Gardossi L., Ebert C., Ferrario V., Braiuca P., Basso A., Vaccari L., “ L’ immobilizzazione di enzimi: nuove strategie sperimentali e computazionali per l’ottimizzazione di biocatalizzatori industriali”, La chimica e l’industria, 2008, 1, 106-112.
  22. Spizzo P., Basso A., Ebert C., Gardossi L., Ferrario V., Romano D., Molinari F., “Resolution of (R,S)-flurbiprofen catalysed by dry mycelia in organic solvent”, Tetrahedron, 2007, 63, 11005-11010.
  23. Basso A., Braiuca P., Cantone S., Ebert C., Linda P., Spizzo P., Caimi P., Hanefeld U., Degrassi G. and Gardossi L., “In silico analysis of enzyme surface and glycosylation effect as a tool for efficient covalent immobilization of CalB and PGA on Sepabeads®”, Adv. Synth. Catal, 2007, 349, 877-886.
  24. Braiuca P., Buthe A., Ebert C., Linda P., Gardossi L., “Prediction of Enzyme Thermostability by Volsurf Computational Method,” Biotechnol. J., 2006, 24, 419-425.
  25. Braiuca, P., Ebert, C., Basso, A., Linda, P., Gardossi L., “Computational methods to rationalize experimental strategies in biocatalysis” Trends Biotechnol., 2006, 24, 419-425.
  26. Fermeglia M., Braiuca P. Gardossi L., Pricl S., Halling P., “In silico prediction of medium effects on esterification equilibrium using the COSMO-RS method” Biotechnol. Progr., 2006, 22, 1146-1152.
  27. Basso, A., Braiuca, P., Ebert, C., Gardossi, L., Linda, P., “Properties and applications of supports for enzyme mediated transformations in solid phase synthesis” J. Chem. Technol. Biot., 2006, 81, 1626-1640.
  28. Romano D., Ferrario V., Molinari F., Gardossi L., Sanchez Montero J.M. Torre, P., Converti A., "Kinetic resolution of (R, S)-1,2-O-isopropylideneglycerol by esterification with dry mycelia of moulds" J. Mol. Cat. B., 2006, 41, 71-74.
  29. Basso A, Spizzo P., Toniutti M., Ebert C., Linda P., Gardossi L., “Kinetically controlled synthesis of ampicillin and cephalexin in highly condensed systems in the absence of a liquid aqueous phase” J. Mol. Catal. B: Enzymatic, 2006, 39, 105-111.
  30. Carboni C. Kierkels H.G.T , Gardossi L., Tamiola L., Janssen D. B. and Quaedflieg P. J.L.M “Preparation of D-amino acids by enzymatic kinetic resolution using a mutant of penicillin-G acylase from E. coli” Tetrahedron-Asymmetr., 2006, 17, 245-251.
  31. Braiuca P., Boscarol L., Ebert C., Gardossi L., Linda P., “3-D QSAR applied to the quantitative prediction of penicillin G amidase selectivity”, Adv. Synth. Catal., 2006, 348, 773-780.
  32. Senerovic L., Stankovic N., Spizzo P., Basso A., Gardossi L., Vasiljevic B., Ljubijankic L., Tisminetzki S., Degrassi G., “High-level production and covalent immobilization of Providencia rettgeri penicillin G acylase (PAC) from recombinant Pichia pastoris for the development of a novel and stable biocatalyst of industrial applicability”, Biotech. Bioeng., 2006, 93, 344-354.
  33. Basso A., Ebert C., Gardossi L., Linda P., Phuong T. T.,. Zhub M and Wessjohann L., “Penicillin G amidase catalysed hydrolysis of phenylacetic hydrazides: a new route to the solid phase chemoenzymatic synthesis and design of enzyme cleavable linkers”, Adv. Synth. Catal., 2005, 347, 963-966.
  34. Basso A., Maltman B., Flitsch S. L., Margetts G., Brazendale I., Ebert C., Linda P., Verdelli S.and Gardossi L., “Optimized polymer-enzyme electrostatic interactions significantly improve penicillin G amidase efficiency in charged PEGA polymers”, Tetrahedron, 2005, 61, 971-976.
  35. Carboni C.,. Quaedflieg P. J.L.M, Broxterman Q. B., Linda P. and Gardossi L. “Quantitative enzymatic protection of D-amino acid methyl esters by exploiting "relaxed" enantioselectivity of Penicillin-G amidase in organic solvent”, Tetrahedron Lett., 2004, 45, 9649-9652.
  36. Braiuca P., Cruciani G., Ebert C., Gardossi L., Linda P., “An innovative application of “flexible” GRID/PCA computational method: study of differences in selectivity between PGAs from E. coli and from a P. rettgeri mutant”, Biotechnol.Prog. 2004, 20, 1025-1031.
  37. Basso A., De Martin L., Ebert C., Gardossi L., Linda P., Verdelli S., Tam A., “Non-swelling macroporous Synbeads for improved efficiency of biotransformations on solid phase”, Chem. Eur. J., 2004, 10, 1007-1013.
  38. Basso A., Ulijn, R. V., Flitsch S. L., Margett G., Ebert C., De Martin L., Linda P., Verdelli S., Gardossi L., “Introduction of permanently charged groups into PEGA resins leads to improved biotransformations on solid support”, Tetrahedron, 2004, 60, 689-594.
  39. Strübing D., Neumann H., von Wangelin A. J., Gördes D., Beller M., Braiuca P., Ebert C., Gardossi L., Kragl U., “Novel multicomponent reaction products, their enzymatic resolution using PenG amidase and their rational improvement by means of in silico studies”, Tetrahedron, 2004, 60, 683-691.
  40. Basso A., De Martin L., Ebert C., Gardossi L., Linda P., Sibilla F., “Organically modified xerogels as novel tailor-made supports for covalent immobilisation of enzymes (penicillin G acylase)”, Tetrahedron Lett., 2003, 44, 5889 – 5891.
  41. Basso A., De Martin L., Ebert C., Gardossi L., Linda P., Ulijn R. V., Flitsch S. L., “Organically modified xerogels as supports for solid phase chemistry”, Tetrahedron Lett., 2003, 44, 6083-6085.
  42. Basso A., De Martin L., Gardossi L., Margetts G., Brazendale I.,. Bosma A. Y., Ulijn R. V., Flitsch S. L., “Improved biotransformations on charged PEGA supports”, Chem. Commun., 2003, 1296.
  43. Braiuca P., Ebert C., Fischer L., Gardossi L., Linda P., “Homology model of Penicillin acylase from Alcaligenes faecalis and in silico evaluation of its selectivity”, ChemBioChem., 2003, 4, 615-622.
  44. Ulijn R. V., De Martin L., Gardossi L., Halling P.J. “Biocatalysis in reaction mixtures with undissolved solid substrates and products”, Current Org. Chem, 2003, 7, 1333-1346.
  45. Ulijn R. V., De Martin L., Halling P. J., Janssen A.E.M., Gardossi L., Moore B. D., “Solvent selection for solid-to-solid synthesis”, Biotech. Bioeng., 2002, 80, 509-515.
  46. Basso A., Braiuca P., Clementi S, Ebert C., Gardossi L., Linda P., “Computational analysis of the aminic subsite of PGA explains the influence of amine structure on enantioselectivity”, J. Mol. Catal. B., 2002, 19-20, 423-430.
  47. Biffi S., De Martin L., Ebert C., Gardossi L., Linda P., “Glutaryl 7-ACA acylase catalyses the synthesis of amide bond in heterogeneous substrate mixtures”, J. Mol. Catal. B., 2002, 19-20, 423-430.
  48. Basso A., Braiuca P., Ebert C., Gardossi L., Linda P., Benedetti F., “GRID/tetrahedral intermediate computational approach to the study of selectivity of penicillin G acylase in amide bond synthesis”, Biochim. Biophys. Acta , 2002, 1601, 85-92.
  49. Basso A., Ducret A., Gardossi L., Lortie R., “Synthesis of octyl glucopyranoside by almond beta-glucosidase adsorbed onto Celite R-640”, Tetrahedron Lett., 2002, 43, 2005-2008.
  50. Basso A., De Martin L., Ebert C., Gardossi, L., Linda P., “Selectivity of penicillin G acylase towards phenylacetic acid derivatives in amide bond synthesis in toluene”, J. Mol. Catal. B, 2001, 16, 73-80.
  51. Basso A., Biffi S., De Martin L., Ebert C., Gardossi L., Linda P., “Quantitative acylation of amino compounds catalysed by penicillin G acylase in organic solvent at controlled aw.”, Croat. Chem. Acta, 2001, 74, 757-762.
  52. Basso A., De Martin L., Ebert C., Gardossi L., Linda P., Zlatev, V., “Activity of covalently immobilised PGA in water miscible solvents at controlled aw.”, J. Mol. Catal. B: Enzymatic, 2001, 11, 851-855.
  53. Gardossi L., “Immobilisation of Enzymes and Control of Water Activity in Low-Water Media: Properties and Applications of Celite R-640 (Celite Rods)”, in "Methods in Biotechnology: Enzyme in non-aqueous solvents: Methods and protocols", E.N. Vulfson, P.J. Halling and H. Holland ed., Humana Press, Inc., Totowa, N.J., 2001, 151-172.
  54. De Martin L., Ebert C., Gardossi L., Linda P., “High isolated yields in thermolysin-catalysed synthesis of Z-aspartyl-L-phenylalanine methyl ester in toluene at controlled water activity”, Tetrahedron Lett., 2001, 42, 3395-3397.
  55. Benedetti F., Berti F., Colombatti A., Flego M. Gardossi L., Linda P., Peressini S., ”Antibody Catalyzed Modification of Amino Acids. Efficient Hydrolysis of Tyrosine Benzoate”, Chem. Commun., 2001, 715-716.
  56. Basso A., De Martin L., Ebert C., Gardossi L., Tomat A., Casarci M., Li Rosi O., “A novel support for enzyme adsorption: properties and application of aerogels in low water media”, Tetrahedron Lett., 2000, 41, 8627-8630.
  57. Basso A., Braiuca, P., De Martin L., Ebert C., Gardossi L., Linda P., “D-Phenylglycine and D-4-Hydroxyphenylglycine Methyl Esters via Penicillin G Acylase Catalysed Resolution in Organic Solvents”, Tetrahedron-Asymmetr., 2000, 11, 1789-1796.
  58. Basso A., De Martin L., Ebert C., Gardossi L., Linda P., “High isolated yields in thermodynamically controlled peptide synthesis in toluene catalysed by thermolysin adsorbed on Celite R-640”, Chem. Commun., 2000, 467-468.
  59. Basso A., De Martin L., Ebert C., Gardossi L., Linda P., "Controlling the Hydration of Covalently Immobilised Penicillin G Amidase in Low-Water Medium: Properties and Use of Celite R-640", J. Mol. Catal. B, 2000, 8, 245-253.
  60. De Martin L., Ebert C., Garau G., Gardossi L.; Linda P., “Penicillin G amidase in Low-Water Media: Immobilisation and Control of Water Activity by Means of Celite Rods”, J. Mol. Catal. B, 1999, 6, 437-445.
  61. Gardossi L., Khan R., Konowicz P. A., Gropen L., Paulsen B.S., “Enzymatic Regioselective Deprotection of Peractilated Mono- and Disaccharides“, J. Mol. Catal. B, 1999, 6, 89-94.
  62. Schergna S., Da Ros T., Linda P., Ebert C., Gardossi L., Prato M., “Enzymatic Modification of Fullerene Derivatives”, Tetrahedron Lett., 1998, 39, 7791-7794.
  63. Ebert C., Gardossi L., Linda P., “Activity of Immobilised Penicillin Amidase in Toluene at Controlled Water Activity“, J. Mol. Catal. B, 1998, 5, 241-244.
  64. Ebert C., Gardossi L., Linda P., "Control of Enzyme Hydration in Penicillin Amidase Catalysed Synthesis of Amide Bond", Tetrahedron Lett., 1996, 37, 9377-9380.
  65. Ebert C., Gardossi L., Linda P., Vesnaver R., Bosco M., "Influence of Organic Solvents on Enzyme Chemoselectivity and Their Role in Enzyme-Substrate Interaction", Tetrahedron, 1996, 13, 4867-4876.
  66. Khan R., Konowicz P. A., Gardossi L., Matulovà M., De Gennaro S., "Regioselective Deacetylation of Peracetylated Mono- and Disaccharides with Hydrazine Hydrate", Austr. J. Chem., 1996, 49, 293-298.
  67. Ebert C., Gardossi L., Linda P., Tambwe K'A.-M., "Chemoselectivity and Enhanced Activity of Poly(ethylene glycol)-modified Lipases Acylating Hydrophilic Aminoacid Derivatives in Organic Solvents", Biotechnol. Tech., 1994, 8, 811-816.
  68. Ebert C., Gardossi L., Gianferrara T., Linda P., Morandini C., "A Multivariate Re-examination of Experimental Condition Effects on Acyloin-Type Condensation Mediated by Saccharomyces Cerevisiae", Biocatalysis, 1994, 10, 15-23.
  69. Khan R., Konowicz P.A., Gardossi L., Matulovà M., Paoletti S., "Chemical Regioselective Hydrolysis of Peracetylated Reducing Disaccharides, Specifically at the Anomeric Centre: Intermediates of the Synthesis of Oligosaccharides", Tetrahedron Lett., 1994, 35, 4247-4250.
  70. Ebert C., Ferluga G., Gardossi L., Gianferrara T., Linda P., “Improved Lipase-Mediated Resolution of Mandelic Acid Esters by Multivariate Investigation of Experimental Factors”, Tetrahedron-Asymm., 1992, 3, 903-912.
  71. Berti F., Ebert C., Gardossi L., “One-Step Stereospecific Synthesis of a,ß-Dehydroaminoacid and Dehydropeptides”, Tetrahedron Lett., 1992, 33, 8145-8148.
  72. Gardossi L., Bianchi D., Klibanov A.M., “Selective Acylation of Peptides Catalyzed by Lipases in Organic Solvents”, J. Am. Chem. Soc., 1991, 113, 6328-6329.
  73. Boccú E., Gianferrara T., Gardossi L., Veronese F.M., “ E. Coli Penicillin Acylase: Purification and Covalent Binding to Nylon”, Il Farmaco, 1990, 45, 203-214.
  74. Boccú E., Ebert C., Gardossi L. Gianferrara T., Linda P., Zacchigna M., “Enzymatic Synthesis of Ampicillin: a Chemometric Optimization”, Il Farmaco, 1991, 46, 565-577.
  75. Boccú E., Ebert C., Gardossi L., Gianferrara T., Linda P., “Chemometric Optimization of an Asymmetric Reduction Catalyzed by Baker's Yeast”, Biotech. Bioeng., 1990, 35, 928-934.