Pre-2009

Please use the following links to view the groups publications:

Relative tolerance of an enzymatic molten globule and its thermostable counterpart to point mutation
Woycechowsky, K. J., Choutko, A., Vamvaca, K., and Hilvert, D.
Biochemistry, 2008, 47 (51), pp. 13489–13496 external page DOI

Structural reorganization and preorganization in enzyme active sites: Comparisons of experimental and theoretically ideal active site geometries in the multistep serine esterase reaction cycle
Smith, A. J. T., Müller, R., Toscano, M. D., Kast, P., Hellinga, H. W., Hilvert, D., and Houk, K. N. 
Journal of the American Chemical Society, 2008, 130 (46), pp. 15361–15373 external page DOI

Synthesis of β-hydroxy-α-amino acids with a reengineered alanine racemase
Fesko, K., Giger, L., and Hilvert, D.
Bioorganic and Medicinal Chemistry Letters, 2008, 18 (22), pp. 5987-5990 external page DOI

Protein design by directed evolution
Jäckel, C., Kast, P., and Hilvert, D.
Annual Review of Biophysics, 2008, 37, pp. 153-173 external page DOI

De novo computational design of retro-aldol enzymes
Jiang, L., Althoff, E. A., Clemente, F. R., Doyle, L., Röthlisberger, D., Zanghellini, A., Gallaher, J. L., Betker, J. L., Tanaka, F., Barbas Iii, C. F., Hilvert, D., Houk, K. N., Stoddard, B. L., and Baker, D.
Science, 2008, 319, pp. 1387-1391 external page DOI

On the relationship between folding and chemical landscapes in enzyme catalysis 
Roca, M., Messer, B., Hilvert, D., and Warshel, A.
Proceedings of the National Academy of Sciences of the United States of America, 2008, 105 (37), pp. 13877–13882 external page DOI

Kinetics and Thermodynamics of Ligand Binding to a Molten Globular Enzyme and Its Native Counterpart
Vamvaca, K., Jelesarov, I., and Hilvert, D.
Journal of Molecular Biology, 2008, 382 (4), pp. 971-977 external page DOI

Closely related antibody receptors exploit fundamentally different strategies for steroid recognition
Verdino, P., Aldag, C., Hilvert, D., and Wilson, I. A.
Proceedings of the National Academy of Sciences of the United States of America, 2008, 105 (33), pp. 11725-11730 external page DOI

Catalysis of oxidative protein folding by small-molecule diselenides
Beld, J., K. J. Woycechowsky, and Hilvert, D.
Biochemistry, 2008, 47 (27), pp. 6985-6987 external page DOI

Selenoglutaredoxin as a glutathione peroxidase mimic
Casi, G., G. Roelfes, and Hilvert, D.
ChemBioChem, 2008, 9 (10), pp. 1623-1631 external page DOI

Conformational isomerism can limit antibody catalysis
Debler, E. W., Muller, R., Hilvert, D., ahd Wilson, I. A.
Journal of Biological Chemistry, 2008, 283 (24), pp. 16554-16560 external page DOI

Switching antibody specificity through minimal mutation
Piatesi, A., C. Aldag, and Hilvert, D.
Journal of Molecular Biology, 2008, 377 (4), pp. 993-1001 external page DOI

The putative Diels-Alderase macrophomate synthase is an efficient aldolase
Serafimov, J. M., D. Gillingham, Kuster, S., and Hilvert, D.
Journal of the American Chemical Society, 2008, 130 (25), pp. 7798-7799 external page DOI

Reinvestigation of a selenopeptide with purportedly high glutathione peroxidase activity
Casi, G., and Hilvert, D.
Journal of Biological Chemistry, 2007, 282 (42), pp. 30518-30522 external page DOI

Structure and dynamics of a molten globular enzyme
Pervushin, K., K. Vamvaca, Vögeli, B., and Hilvert, D.
Nature Structural and Molecular Biology, 2007, 14 (12), pp. 1202-1206 external page DOI

Metabolic engineering of a genetic selection system with tunable stringency
Kleeb, A.C., Edalat, M.H., Gamper, M., Haugstetter, J., Giger, L., Neuenschwander, M., Kast, P., and Hilvert, D.
Proceedings of the National Academy of Sciences of the United States of America, 2007, 104 (35), pp. 13907-13912 external page DOI

A simple selection strategy for evolving highly efficient enzymes
Neuenschwander, M., Butz, M., Heintz, C., Kast, P., and Hilvert, D.
Nature Biotechnology, 2007, 25 (10), pp. 1145-1147 external page DOI

Preparation of the β3-homoselenocysteine derivatives Fmoc-β3hSec(PMB)-OH and Boc-β3hSec(PMB)-OH for solution and solid-phase-peptide synthesis and selenoligation
Flögel, O., Casi, G., Hilvert, D., and Seebach, D.
Helvetica Chimica Acta, 2007, 90 (9), pp. 1651-1666 external page DOI

Trapping and structural elucidation of an intermediate in the macrophomate synthase reaction pathway
Serafimov, J.M., Westfeld, T., Meier, B.H., and Hilvert, D.
Journal of the American Chemical Society, 2007, 129 (31), pp. 9580-9581 external page DOI

Minimalist active-site redesign: Teaching old enzymes new tricks
Toscano, M.D., Woycechowsky, K.J., and Hilvert, D.
Angewandte Chemie - International Edition, 2007, 46 (18), pp. 3212-3236 external page DOI

Enhancing activity and controlling stereoselectivity in a designed PLP-dependent aldolase
Toscano, M.D., Müller, M.M., and Hilvert, D.,
Angewandte Chemie - International Edition, 2007, 46 (24), pp. 4468-4470 external page DOI

Selenoglutathione: Efficient oxidative protein folding by a diselenide
Beld, J., Woycechowsky, K.J., and Hilvert, D.
Biochemistry, 2007, 46 (18), pp. 5382-5390 external page DOI

Active site mutagenesis of the putative Diels-Alderase macrophomate synthase
Serafimov, J.M., Lehmann, H.C., Oikawa, H., and Hilvert, D.
Chemical Communications, 2007, (17), pp. 1701-1703 external page DOI

Relative tolerance of mesostable and thermostable protein homologs to extensive mutation
Besenmatter, W., Kast, P., and Hilvert, D.
Proteins: Structure, Function and Genetics, 2007, 66 (2), pp. 500-506 external page DOI

Synthesis and application of an azobenzene amino acid as a light-switchable turn element in polypeptides
Aemissegger, A., and Hilvert, D.
Nature Protocols, 2007, 2 (1), pp. 161-167 external page DOI

Bifunctional catalysis of proton transfer at an antibody active site
Müller, R., Debler, E.W., Steinmann, M., Seebeck, F.P., Wilson, I.A., and Hilvert, D.
Journal of the American Chemical Society, 2007, 129 (3), pp. 460-461 external page DOI

Novel enzymes through design and evolution
Woycechowsky, K.J., Vamvaca, K., and Hilvert, D.
Advances in Enzymology and Related Areas of Molecular Biology, 2007, 75, pp. 241-294 external page DOI

A monofunctional and thermostable prephenate dehydratase from the archaeon Methanocaldococcus jannaschii
Kleeb, A. C., Kast, P., and Hilvert, D.
Biochemistry, 2007, 46 (9), pp. 2552-2552 external page DOI

Stereoselectivity and expanded substrate scope of an engineered PLP-dependent aldolase
Seebeck, F. P., Guainazzi, A., Amoreira, C., Baldridge, K. K., and Hilvert, D.
Angewandte Chemie - International Edition, 2006, 45 (41), pp. 6824-6826 external page DOI

A photoswitchable miniprotein based on the sequence of avian pancreatic
Jurt, S., Aemissegger, A., Guntert, P., Zerbe, O., and Hilvert, D.
Angewandte Chemie - International Edition, 2006, 45 (38), pp. 6297-6300 external page DOI

Tunnel plasticity and quaternary structural integrity of a pentameric protein ring
Woycechowsky, K. J., Seebeck, F. P., and Hilvert, D.
Protein Science, 2006, 15, pp. 1106-1114 external page DOI

A simple tagging system for protein encapsulation
Seebeck, F. P., Woycechowsky, K. J., Zhuang, W., Rabe, J. P., and Hilvert, D.
Journal Of The American Chemical Society, 2006, 128, pp. 4516-4517 external page DOI

Experimental and computational investigation of the uncatalyzed rearrangement and elimination reactions of isochorismate
DeClue, M.S., Baldridge, K. K., Kast, P., and Hilvert, D.
Journal Of The American Chemical Society, 2006, 128, pp. 2043-2051 external page DOI

An active enzyme constructed from a 9-amino acid alphabet
Walter, K. U., Vamvaca, K., and Hilvert, D.
Journal Of Biological Chemistry, 2005, 280, pp. 37742-37746 external page DOI

Isochorismate pyruvate lyase: A pericyclic reaction mechanism? 
DeClue, M. S., Baldridge, K. K., Kunzler, D. E., Kast, P., and Hilvert, D.
Journal Of The American Chemical Society, 2005, 127, pp. 15002-15003 external page DOI

Mechanistic insights into the isochorismate pyruvate lyase activity of the catalytically promiscuous PchB from combinatorial mutagenesis and selection
Kunzler, D., Sasso, S., Gamper, M., Hilvert, D., and Kast, P.
Journal Of Biological Chemistry, 2005, 280, pp. 32827-32834 external page DOI

Isotope effects on the enzymatic and nonenzymatic reactions of chorismate
Wright, S. K., DeClue, M., S., Mandal, A., Lee, L., Wiest, O., Cleland, W. W., and Hilvert, D.
Journal Of The American Chemical Society, 2005, 127, pp. 12957-12964 external page DOI

Conformational diversity and catalysis
Hilvert, D.
Faseb Journal 2005, 19 (4), p. A249.

Simultaneous optimization of enzyme activity and quaternary structure by directed evolution
Vamvaca, K., Butz, M., Walter, K. U., Taylor, S. V., and Hilvert, D.
Protein Science, 2005, 14, pp. 2103-2114 external page DOI

Investigation of ligand binding and protein dynamics in Bacillus subtilis chorismate mutase by transverse relaxation optimized spectroscopy-nuclear magnetic resonance
Eletsky, A., Kienhofer, A., Hilvert, D., and Pervushin, K.
Biochemistry, 2005, 44, pp. 6788-6799 external page DOI

Strategy for chromosomal gene targeting in RecA-deficient Escherichia coli strains
Gamper, M., and Kast, P.
BioTechniques, 2005, 38, pp. 405-408 external page DOI

Structural origins of efficient proton abstraction from carbon by a catalytic antibody
Debler, E.W., Ito, S., Seebeck, F. P., Heine, A., Hilvert, D.; and Wilson, I. A. 
Proceedings of the National Academy of Sciences USA, 2005, 102, pp. 4984-4989. external page DOI

Use of molecular dynamics in the design and structure determination of a photoinducible β-hairpin
Krautler, V., Aemissegger, A., Hunenberger, P. H., Hilvert, D., Hansson, T., and van Gunsteren, W. F.
Journal Of The American Chemical Society, 2005, 127, pp. 4935-4942 external page DOI

A photoinducible β-hairpin
Aemissegger, A., Krautler, V., van Gunsteren, W. F., and Hilvert, D.
Journal Of The American Chemical Society, 2005, 127, pp. 2929-2936 external page DOI

Characterization of the secreted chorismate mutase from the pathogen Mycobacterium tuberculosis
Sasso, S., Ramakrishnan, C., Gamper, M., Hilvert, D., and Kast, P.
FEBS Journal, 2005, 272, pp. 375-389 external page DOI

Positional ordering of reacting groups contributes significantly to the efficiency of proton transfer at an antibody active site
Seebeck, F. P, and Hilvert, D.
Journal Of The American Chemical Society, 2005, 127, pp. 1307-1312 external page DOI

New enzymes from combinatorial library modules
Besenmatter, W., Kast, P., and Hilvert, D.
Methods in Enzymology, 2004, 388, pp. 91-102 external page DOI

An enzymatic molten globule: Efficient coupling of folding and catalysis
Vamvaca, K., Vogeli, B., Kast, P., Pervushin, K., and Hilvert, D.
Proceedubgs Of The National Academy Of Sciences USA, 2004, 101 (35) , pp. 12860-12864 external page DOI

Nonspecific medium effects versus specific group positioning in the antibody and albumin catalysis of the base-promoted ring-opening reactions of benzisoxazoles
Hu, Y.F., Houk, K.N., Kikuchi, K., Hotta, K., and Hilvert, D.
Journal Of The American Chemical Society, 2004, 126, pp. 8197-8205 external page DOI

Deciphering enzymes - Genetic selection as a probe of structure and mechanism
Woycechowsky, K. and Hilvert, D. 
European Journal of Biochemistry, 2004, 271, pp. 1630-1637 external page DOI

Immunological optimization of a generic hydrophobic packet for high affinity hapten binding and Diels-Alder activity
Piatesi, A., and Hilvert, D.
ChemBioChem, 2004, 5 (4), pp. 460-466 external page DOI

Quantitative evaluation of noncovalent chorismate mutase-inhibitor binding by ESI-MS
Wendt, S., McCombie, G., Daniel, J., Kienhöfer, A., Hilvert, D., and Zenobi, R. 
Journal of the American Society for Mass Spectrometry, 2003, 14 (12), pp. 1470-1476 external page DOI

Convergent protein synthesis
Casi, G.;, and Hilvert, D.
Current Opinion in Structural Biology, 2003, 13 (5), pp. 589-594 external page DOI

Conversion of a PLP-dependent racemase into an aldolase by a single active site mutation
Seebeck, F., and Hilvert, D.
Journal Of The American Chemical Society, 2003, 125, pp. 10158-10159 external page DOI

Incorporation of selenomethionine into proteins through selenohomocysteine-mediated ligation
Roelfes, G., and Hilvert, D.
Angewandte Chemie -  International Edition, 2003, 42, pp. 2275-2277 external page DOI

Promiscuity in antibody catalysis: Esterolytic activity of the decarboxylase 21D8
Backes, A., Hotta, K., and Hilvert, D.
Helvetica Chimica Acta, 2003, 86 (4), pp. 1167-1174 external page DOI

Charge optimization increases the potency and selectivity of a chorismate mutase inhibitor
Mandal, A.; Hilvert, D.
Journal Of The American Chemical Society, 2003, 125, pp. 5598-5599 external page DOI

Selective stabilization of the chorismate mutase transition state by a positively charged hydrogen bond donor
Kienhöfer, A., Kast, P., and Hilvert, D.
Journal Of The American Chemical Society, 2003, 125 (11), pp. 3206-3207 external page DOI

Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole
Ujaque, G., Tantillo, D.J., Hu, Y.F., Houk, K.N., Hotta, K., and Hilvert, D.
Journal Of Computational Chemistry, 2003, 24, pp. 98-110 external page DOI

Steric and electronic effects on an antibody-catalyzed Diels-Alder reaction
Gozin, Y., and Hilvert, D. 
Helvetica Chimimica Acta, 2002, 85, pp. 4328-4336 external page DOI

Selenocysteine-mediated backbone cyclization of unprotected peptides followed by alkylation, oxidative elimination or reduction of the selenol
Quaderer, R., and Hilvert, D. 
Chemical Communications, 2002, 0 (22), pp. 2620-2621 external page DOI

Direct NMR observation and DFT calculations of a hydrogen bond at the active site of a 44 kDa enzyme
Eletsky, A., Heinz, T., Moreira, O., Kienhöfer, A., Hilvert, D., and Pervushin, K.
Journal Of Biomolecular NMR, 2002, 24, pp. 31-39 external page DOI

An antibody that reconstitutes the "base-on" form of B12 coenzymes
Hannak, R.B., Konrat, R., Schüler, W., Kräutler, B., Auditor, M.T.M., and Hilvert, D.
Angewandte Chemie - International Edition, 2002, 41, pp. 3613-3616 external page DOI

Investigation of the enzymatic and nonenzymatic cope rearrangement of carbaprephenate to carbachorismate
Aemissegger, A., Jaun, B., and Hilvert, D.
Journal Of Organic Chemistry, 2002, 67, pp. 6725-6730 external page DOI

Optimized production of the Diels-Alderase antibody 1E9 as a chimeric Fab
Piatesi, A., and Hilvert, D.
Canadian Journal Of Chemistry, 2002, 80, pp. 657-664 external page DOI

Synthesis of b3-peptides and mixed a/b3-peptides by thioligation
Kimmerlin, T., Seebach, D., and Hilvert, D.
Helvetica Chimica Acta, 2002, 85, pp. 1812-1826 external page DOI

Probing ligand recognition in the decarboxylase antibody 21D8: Implications for the catalytic mechanism
Hotta, K., Wilson, I. A., and Hilvert, D.
Biochemistry, 2002, 41, pp. 772-779 external page DOI

Improved synthesis of C-terminal peptide thioesters on "safety-catch" resins using LiBr/THF
Quaderer, R., and Hilvert, D.
Organic Letters, 2001, 3, pp. 3181-3184 external page DOI

Investigating and engineering enzymes by genetic selection
Taylor, S. V., Kast, P., and Hilvert, D.
Angewandte Chemie - International Edition, 2001, 40, pp. 3310-3335 external page DOI

Fmoc-compatible solid-phase peptide synthesis of long C-terminal peptide thioesters
Sewing, A.; Hilvert, D.
Angewandte Chemie - International Edition, 2001, 40, pp. 3395-3396 external page DOI

Searching sequence space for protein catalysts
Taylor, S. V., Walter, K. U., Kast, P., and Hilvert, D.
Proceedings Of The National Academy Of Sciences USA, 2001, 98, pp. 10596-10601 external page DOI

Selenocysteine-mediated native chemical ligation
Quaderer, R., Sewing, A., and Hilvert, D.
Helvetica Chimica Acta, 2001, 84, pp. 1197-1206 external page DOI

Chemical biology/biological chemistry
Hilvert, D.
CHIMIA, 2001, 55 (4), p. 267 external page Link

Cross-fertilizing the chemical field
Hilvert, D.
Chemical & Engineering News, 2001, 79, p. 152

Shape complementarity, binding-site dynamics, and transition state stabilization: A theoretical study of Diels-Alder catalysis by antibody 1E9
Chen J. G., Deng Q.L., Wang R. X., Houk, K. N., and Hilvert, D.
ChemBioChem, 2000, 1, pp. 255-261 external page DOI

A strategically positioned cation is crucial for efficient catalysis by chorismate mutase
Kast, P., Grisostomi, C., Chen, I. A., Li, S. L., Krengel, U., Xue, Y. F., and Hilvert, D.
Journal Of Biological Chemistry, 2000, 275, pp. 36832-36838 external page DOI

Probing the role of the C-terminus of Bacillus subtilis chorismate mutase by a novel random protein-termination strategy
Gamper, M., Hilvert, D., and Kast, P.
Biochemistry, 2000, 39, pp. 14087-14094 external page DOI

Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: Crystal structures of abzyme 21D8
Hotta, K., Lange, H., Tantillo, D. J., Houk, K. N., Hilvert, D., and Wilson, L. A.
Journal Of Molecular Biology, 2000, 302, pp. 1213-1225 external page DOI

Catalysis of 3-carboxy-1,2-benzisoxazole decarboxylation by hydrophobic antibody binding pockets
Hotta, K.; Kikuchi, K.; Hilvert, D.
Helvitica Chimica Acta, 2000, 83, pp. 2183-2191 external page DOI

Critical analysis of antibody catalysis
Hilvert, D.
Annual Review Of Biochemistry, 2000, 69, pp. 751-793 external page DOI

Characterization of proton-transfer catalysis by serum albumins
Hollfelder, F., Kirby, A. J., Tawfik, D. S., Kikuchi, K., and Hilvert, D.
Journal Of The American Chemical Society, 2000, 122, pp. 1022-1029 external page DOI

Facile, Fmoc-compatible solid-phase synthesis of peptide C-terminal thioesters
Swinnen, D., and Hilvert, D.
Organic Letters, 2000, 2, pp. 2439-2442 external page DOI

Molecular dynamics simulations highlight mobile regions in proteins: A novel suggestion for converting a murine Vh domain into a more traceable species
Voordijk, S., Hansson, T., Hilvert, D., and van Gunsteren, W. F.
Journal Of Molecular Biology, 2000, 300, pp. 963-973 external page DOI

Chorismate Mutase from Bacillus subtilis is partially diffusion controlled
Mattei, P., Kast, P., and Hilvert, D.
European Journal Of Biochemistry, 1999, 261, pp. 25-32 external page DOI

Chemoenzymatic synthesis of isotopically labeled chorismic acids
Gustin, D. J., and Hilvert, D.
Journal Of Organic Chemistry, 1999, 64, pp. 4935-4938 external page DOI

Catalysis by antibodies
Hilvert, D.
Comprehensive Natural Products Chemistry, 1999, 5, pp. 423-455 DOI

Heavy atom isotope effects reveal a highly polarized transition state for chorismate mutase
Gustin, D. J., Mattei, P., Kast, P., Wiest, O., Lee, L., Cleland, W. W., and Hilvert, D.
Journal Of The American Chemical Society, 1999, 121, pp. 1756-1757 external page DOI

a-Functionalized phosphonyl-phosphinates: Synthesis and evaluation as transcarbamoylase inhibitors
Flohr, A., Aemissegger, A., and Hilvert, D.
Journal Of Medical Chemistry, 1999, 42, pp. 2633-2640 external page DOI

Electric fields in active sites: Substrate switching from null to strong fields in thiol- and selenosubtilisins
Dinakarpandian, D., Shenoy, B. C., Hilvert, D., McRee, D. E., McTigue, M., and Carey, P. R.
Biochemistry, 1999, 38, pp. 6659-6667 external page DOI

Stereoselective reactions with catalytic antibodies
Hilvert, D.
Topics in Stereochemistry, 1999, 22, pp. 83-135 external page DOI

An antibody-catalyzed allylic sulfoxide-sulfenate rearrangement
Zhou, Z. S., Flohr, A., and Hilvert, D.
Journal Of Organic Chemistry, 1999, 64, pp. 8334-8341 external page DOI

Evolution of shape complementarity and catalytic efficiency from a primordial antibody template
Xu, J., Deng, Q., Chen, J., Houk, K. N., Bartek, J., Hilvert, D., and Wilson, I. A.
Science, 1999, 286, pp. 2345-2348 external page DOI

Redesigning enzyme topology by directed evolution
MacBeath, G., Kast, P., and Hilvert, D.
Science, 1998, 279, pp. 1958-1961 external page DOI

Probing enzyme quaternary structure by combinatorial mutagenesis and selection
MacBeath, G., Kast, P., and Hilvert, D.
Protein Science, 1998, 7(8), pp. 1757-1767 external page DOI

Exploring sequence constraints on an interhelical turn using in vivo selection for catalytic activity
MacBeath, G., Kast, P., and Hilvert, D.
Protein Science, 1998, 7, pp. 325-335 external page DOI

Selenosubtilisin's peroxidase activity does not require an intact oxyanion hole
Peterson, E.B., and Hilvert, D.
Tetrahedron, 1997, 53 (36), pp. 12311-12317 external page DOI

An antibody-catalyzed selenoxide elimination
Zhou, Z.S., Jiang , N., and Hilvert, D.
Journal Of The American Chemical Society, 1997, 119, pp. 3623-3624 external page DOI 

Selection of a functional linker for a catalytic single-chain antibody using phage display technology
Tang, Y., Jiang, N., Parakh, C., and Hilvert, D,
Journal Of Biological Chemistry, 1996, 271, pp. 15682-15686 external page DOI

Exploring the active site of chorismate mutase by combinatorial mutagenesis and selection:  The importance of electrostatic catalysis
Kast, P., Asif-Ullah, M., Jiang, N., and Hilvert, D.
Proceedings Of The National Academy Of Sciences USA, 1996, 93, pp. 5043-5048 external page DOI

Nonessential active site residues modulate selenosubtilisin's kinetic mechanism
Peterson, E.B., and Hilvert, D.
Biochemistry, 1995, 34, pp. 6616-6620 external page DOI

Large rate accelerations in antibody catalysis by strategic use of haptenic charge
Thorn, S.N., Daniels, R.G., Auditor, M.-T.M., and Hilvert, D.
Nature, 1995, 373, pp. 228-230 external page DOI

Chemical synthesis of proteins
D. Hilvert
Chemistry & Biology, 1994, 1, pp. 201-203 external page DOI

Routes to catalysis:  The structure of a catalytic antibody and comparison with its natural counterpart
Haynes, M.R., Stura, E.A., Hilvert, D., and Wilson I.A.
Science, 1994, 263, pp. 646-652 external page DOI

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