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Simfit.org.uk

A package for simulation, curve fitting,statistical analysis, and graph plotting.
http://www.simfit.org.uk
1. Meta-analysis of microarray data: The case of imatinib resistance in chronic myelogenous leukemia.
Burguillo,F.J., Martin, J., Barrera, I., Bardsley, W.G. Computational Biology and Chemistry (2010) 34
184–192
2. Modelling the simultaneous processes occurring during the BOD5 test using synthetic waters as a pattern.
Mart´ın,M.J., Burguillo,F.J., Bardsley,W.G. Bioprocess and Biosystems Engineering (2009) 32 207–216
3. Hyper-adhesion in desmosomes: its regulation in wound healing and possible relationship to cadherin crystal structure.
Garrod,D.R., Berika,Y., Bardsley,W.G., Holmes,D., Taberno,L. J. Cell Science (2005) 118 5743–5754
4. Directed enzyme evolution guided by multidimensional analysis of substrate-activity space.
Larsson,A-K., Emren,L.O., Bardsley,W.G., Mannervik,B. Protein Engineering. Design and Selection
(2004) 17 49–55
5. Exploring the Functional Space of Combinatorial Mutant Libraries for the Directed Evolution of Novel Enzyme Activities.
Mannervik,B., Hansson,L.O., Bardsley,W.G. Enzyme Functionality, Marcel Dekker, New York (2003)443–459 6. Uso del paquete Estad´ıstico Simfit en la ense˜nanza del an´alisis de datos en ciencias experimentales.- Using the SIMFIT Statistical Package to teach Data Analysis in Experimental Sciences.
Burguillo,F.J., Holgado,M., Bardsley,W.G. Revista de Educaci´on en Ciencias-Journal of Science Educa-
tion
(2003), 4 8–14. CD-ROM with the SIMFIT Package was included in the issue.
7. Molecular map of the desmosome plaque.
North,A.J., Bardsley,W.G., Hyam,J., Bornslaeger,E.A., Cordingley,H.C., Trinnaman,B., Hatzfeld,M.,
Green.K.J., Magee,A.I., Garrod,D.R. J. Cell Science (1999) 112 4325–4336
8. The photoreactivity of the retinal age pigment lipofuscin.
Wassel,J., Davies,S., Bardsley,W.G. & Boulton,M. J. Biol. Chem. (1999) 274, 23828–23832
9. Intravitreal growth factors in proliferative diabetic retinopathy: correlation with neovascular activity and glycaemic management.
Boulton,M., McLeod,D., Charteris,D., Jarvis-Evans,J., Moriarty,P., Khaliq,A., Foreman,D., Allamby,D
& Bardsley,W.G. B. J. Opthalmology (1997) 81, 228–233
10. Contributions of individual molecular species to the Hill coefficient for ligand binding by an oligomeric protein.
Edelstein,S.J & Bardsley,W.G. J. Mol. Biol (1997) 267, 10–16
11. Using ASCII text files in post-fix notation (reverse Polish) to define mathematical models and systems of differential equations for simulation and nonlinear regression.
Bardsley,W.G. & Prasad,N Computers and Chemistry (1997) 21, 71–82
12. Distinct desmocollin isoforms occur in the same desmosomes and show reciprocally graded distributions in bovine nasal epidermis.
North,A.J., Chidgey,A.J., Clarke,J.P., Bardsley,W.G. & Garrod,D.R. Proc. Natl. Acad. Sci. (1996) 93,
7701–7705
13. Molecular analysis of HLA-DQB1 alleles in childhood common acute lymphoblastic leukaemia.
Dearden,S.P., Taylor,G.M., Gokhale,D.A., Robinson,M.D., Thompson,W., Ollier,W., Binchey,A., Birch,J.M.,
Stevens,R.F., Carr,T. & Bardsley,W.G. British Journal of Cancer (1996) 73, 603–609
14. A computer program to study the optimal design for model discrimination with life science models.
Bardsley,W.G. & Melikhova,E.M. Computers and Chemistry (1996) 20 145–157
15. The quantitative analysis of wound healing.
Bardsley,W.G., Satter,A., Armstrong,J.R., Shah,M., Brosnan,P. & Ferguson,M.W.J. (1995) Wound Repair
and Regeneration
3(4), 441–456
16. Evaluation of model discrimination, parameter estimation and goodness of fit in nonlinear regression problems by test statistics distributions.
Bardsley,W.G., Bukhari,N.A.J., Ferguson,M.W.J., Cachaza,J.A. & Burguillo,F.J. (1995) Computers and
Chemistry
19, 75–84
17. Mathematical models for growth in alligator (Alligator mississipiensis) embryos developing at different incubation temperatures.
Bardsley,W.G., Ackerman,R.A., Bukhari,N.A.S, Deeming,D.C & Ferguson,M.W.J (1995) J. Anatomy
187, 181–190
18. A statistical theory for the interpretation of altered flow cytometry profiles in terms of the binding of ligands to cell surface receptors and changes in gene expression.
Bardsley,W.G. & Kyprianou,E.K. (1995) J. Math. Biol. 34, 271–296
19. SIMFIT. A computer package for simulation, curve fitting and statistical analysis using life science mod- els.
Bardsley,W.G. (1993) In: Modern trends in Biothermokinetics pp. 455–458 Schuster,S., Rigoulet,M.,Ouhabi,R. and Mazat,J.P. (Eds.) Plenum Publishing Corporation, New YorkAlso in the same volume:The interpretation of flow cytometry profiles in terms of gene dosage and gene expression (with Kypri-anou,E.K.) pp. 149–153Optimal design for model discrimination. Choosing the best spacing and density of design points. (withMelikhova,E.M.) pp. 459–462 20. A statistical model and computer program to estimate association constants for the binding of fluorescent- labelled monoclonal antibodies to cell surface antigens and to interpret shifts in flow cytometry data
resulting from alterations in gene expression.
Bardsley,W.G., Ross Wilson,A., Kyprianou,E.K. & Melikhova,E.M. (1992) J. Immunol. Method. 153,
235-247
21. Analysis of gene dosage effects on the expression of CD18 by trisomy 21 lymphoblastoid cell lines using a statistical model to fit flow cytometry profiles.
Bardsley,W.G., McMurray,B.P., Robson,A., D’Souza,S.D. & Taylor, G.M. (1990) Hum. Genet. 86, 181-
186
22. The kinetics of adsorption of human immunoglobulin G to polyvinyl chloride enzyme-linked-immunoadsorbent- assay vessel walls.
McGinlay,P.B. & Bardsley,W.G. (1989) Biochem. J. 261, 715-720
23. Optimal design for model discrimination using the F test with non-linear biochemical models. Criteria for choosing the number and spacing of experimental points.
Bardsley,W.G., McGinlay,P.B & Roig,M.G. (1989) J. theor. Biol. 139, 85-102
24. Fetal and maternal blood volumes in shed human placentae: discrepant results comparing morphometry to haemoglobin content.
Barker,G, Cunliffe,N., Bardsley,W.G., D’Souza,S.W., Donnai,P & Boyd,R.D.H. (1988) Placenta 9, 289-
296
25. Molecular charge effects on the protein permeability of the guinea pig placenta.
Berhe,A., Bardsley,W.G., Harkes,A. & Sibley,C.P. (1987) Placenta 8, 365-380
26. The non-Michaelian action of Thrombin on peptide p-nitroaniline substrates.
Izquierdo,C., Burguillo,F.J. & Bardsley,W.G. (1987) Biochem. J. 243, 329-334
27. The use of non-linear regression analysis and the F test for model discrimination with dose response curves and ligand binding data.
Bardsley,W.G. & McGinlay,P.B. (1987) J. theor. Biol. 126, 183-201
28. Conditions when statistical tests for model discrimination have high power. Some examples from phar- macokinetics, ligand binding, transient and steady-state enzyme kinetics.
Bardsley,W.G., McGinlay,P.B. & Riog,M.G. (1987) Biophys. Chem. 26, 1-8
29. Model discrimination. Conditions when the correct model can be identified for transient, steady-state and binding data.
Bardsley,W.G. (1987) In: Dynamics of Biochemical systems. pp. 267-287 Damjanovich,S., Keleti,T. &Tron,L. (Eds.) Akademiai Kiado, Budapest (Symp. Biol. Hung. 30) 30. The F test for model discrimination with exponential functions.
Bardsley,W.G., McGinlay,P.B. & Wright,A.J. (1986) Biometrika 73, 501-508
31. Inhibition of Copper Amine Oxidases.
Bardsley,W.G. (1985) In: Structure and functions of Amine Oxidases. pp. 135-152 Mondovi,B. (ed) CRCpress 32. The steady-state kinetics of Lactoperoxidase.
Bardsley,W.G. (1985) In: The Lactoperoxidase system: Chemistry and Biological Significance. pp. 55-87Pruitt,K.M. & Tenovuo,J.O. (Eds.) Marcel Dekker, New York.
33. Critical points and sigmoidicity of positive rational functions.
Wood,R.M.W. & Bardsley,W.G. (1985) Amer. Math. Month. 92(1), 37-48
34. Bile salt stimulated Lipase and Esterase activity in human milk after collection, storage and heating: nutritional implications.
Wardell,J.M., Wright,A.J., Bardsley,W.G. & D’Souza S.W. (1984) Pediat. Res. 18, 382-386
35. Simple enzyme kinetic mechanisms that can give all possible velocity profiles with chemically reasonable rate constant values.
Bardsley,W.G. (1983) J. theor. Biol. 104, 485-491
36. Kinetic analysis of cell spreading. II. Substratum adhesion requirements of amniotic epithelial (FL) cells.
Aplin,J.D., Bardsley,W.G. & Niven,V.M. (1983) J. Cell Sci. 61, 375-388
37. Kinetic analysis of cell spreading. I. Theory and modelling of curves.
Bardsley,W.G. & Aplin,J.D. (1983) J. Cell Sci. 61, 365-373
38. Inhibition of enzymes by excess substrate. A theoretical and Monte Carlo study of turning points in v(S) graphs.
Bardsley,W.G., Solano-Munoz,F., Wright,A.J. & McGinlay,P.B. (1983) J. Mol. Biol. 169, 597-617
39. Evidence concerning a possible steady-state rate equation for E. Coli Alkaline Phosphatase.
Del Arco,A., Burguillo,F.J. & Bardsley,W.G. (1984) Int. J. Biochem. 16, 189-194
40. Steady-state kinetics of thyroid peroxidase. Evidence for a high degree rate equation using the F statistic.
Solano-Munoz,F., Iborra,J.L., Lozano,J.A. & Bardsley,W.G. (1983) Int. J. Biochem. 15, 1195-1200
41. Use of the F test for determining the degree of enzyme-kinetic and ligand-binding data. A Monte Carlo simulation study.
Burguillo,F.J., Wright,A.J. & Bardsley,W.G. (1983) Biochem. J. 211, 23-34
42. A new approach to the measurement of sigmoid curves with enzyme kinetic and ligand binding data.
Bardsley,W.G. & Wright,A.J. (1983) J. Mol. biol. 165, 163-182
43. The probability of obtaining complex kinetic curves for enzyme mechanisms with cubic terms in the pseudo-steady state rate equations.
Wardell,J.M., Bardsley,W.G., Kavanagh,J.P. & Wood,R.M.W. (1982) J. theor. Biol. 95, 465-487
44. The generation of non-linear pH gradients for chromatography by using only simple apparatus.
Bardsley,W.G. & Wardell,J.M. (1982) J. Chromatography 242, 209-225
45. Steady-state kinetic studies on Benzylamine Oxidase from pig plasma.
Kelly,I.D., Knowles,P.F., Yadav,K.D.S., Bardsley, W.G., Leff,P. & Waight,R.D. (1981) Eur. J. Biochem.
114, 133-138
46. The probability that complex enzyme kinetic curves can be caused by activators and inhibitors.
Solano-Munoz,F., Bardsley,W.G. & Indge,K.I. (1981) Biochem. J. 195, 589-601
47. The generation of non-linear solute gradients for chromatography using only simple apparatus.
Solano-Munoz,F & Bardsley,W.G. (1981) Biochem. J. 193, 991-996
48. Deviations from Michaelis-Menten kinetics. Computation of the probabilities of obtaining complex curves from simple kinetic schemes.
Solano-Munoz,F., McGinlay,P.B., Woolfson,R & Bardsley,W.G. (1980) Biochem. J. 193, 339-352
49. Relationships between the magnitude of Hill plot slopes, apparent binding constants and factorability of binding polynomials and their Hessians.
Bardsley,W.G., Woolfson,R. & Wood,R.M.W. (1980) J. theor. Biol. 85, 247-284
50. Some mathematical results concerning Hessians of binding polynomials and co-operativity coefficients.
Bardsley,W.G., Woolfson,R. & Wood, R.M.W. (1980) J. theor. Biol. 85, 45-51
51. Levamisole and other Diamine Oxidase inhibitors as inhibitors of sperm motility.
Kavanagh,J.P., Brightwell,R., Bardsley,W.G. & Schneiden,H. (1981) Arch. Androl. 7, 51-62
52. Deviations from Michaelis-Menten kinetics. The possibility of complicated curves for simple kinetic schemes and the computer fitting of experimental data for Acetylcholine Esterase, Acid Phosphatase,
Adenosine Deaminase, Arylsulphatase, Benzylamine Oxidase, Chymotryosin, Fumarase, Galactose De-
hydrogenase, β-Galactosidase, Lactate Dehydrogenase, Peroxidase and Xanthine Oxidase.
Bardsley,W.G., Leff.P, Kavanagh,J. & Waight,R.D. (1980) Biochem. J. 187, 739-765
53. An analogue of the binding polynomial for the case of ligands binding to an aggregating macromolecule.
Woolfson,R. & Bardsley,W.G. (1980) J. Mol. biol. 136, 451-454
54. The identity of the Acid and Alkaline Phosphatases of human seminal plasma.
Kavanagh,J.P. & Bardsley,W.G. (1979) J. Reprod. Fertil. 57, 43-48
55. Pharmacokinetics of Chlorambucil in ovarian carcinoma using a new HPLC assay.
Leff,P. & Bardsley,W.G. (1979) Biochem. Pharmacol. 28, 1289-1292
56. The theory and graphical tests for homotropic and hetrotropic effects.
Bardsley,W.G. (1978) In: New trends in the description of the general mechanism and regulation ofenzymes. pp. 35-62 Damjanovich,S., Elodi,P. & Somogyi,B. (Eds.) Akademiai Kiado, Budapest (Symp.
Biol. Hung. 21) 57. Human placental Diamine Oxidase concentration and Urogasterone: a possible role in polyamine metabolism and fetal growth control.
Scott,I.V., Bardsley,W.G., Greory,H.A. & Tindall,V.R. (1979) In: Clinical Enzymology Symposia 2, ed.
Burlina,A. and Galzigna,L. pp. 563-578. Piccin Medical Books, Padua and London.
58. Concerning the thermodynamic definition and graphical manifestations of positive and negative co- operativity.
Bardsley,W.G. & Wyman,J. (1978) J. theor. Biol. 72, 373-376
59. Factorability of the Hessian of the binding polynomial. The central issue concerning statistical ratios between binding constants, Hill plot slope and positive and negative co-operativity.
Bardsley,W.G. & Waight,R.D. (1978) J. theor. Biol. 72, 321-372
60. A study of peroxidase levels in human cervical mucus as an index of ovulation.
Shindler,J.S., Howarth,K., Axon,A., Bardsley,W.G., Tindall,V.R. & Laing,I (1977)
J. Reprod. Fertil. 51, 413-417
61. The determination of positive and negative co-operativity with allosteric enzymes and the interpretation of sigmoid curves and non-linear double reciprocal plots for the MWC and KNF models.
Bardsley,W.G. & Waight,R.D. (1978) J. theor. Biol. 70, 135-156
62. Steady-state kinetic studies concerning the negative co-operativity and flip-flop mechanism for E. Coli Alkaline Phosphatase.
Waight,R.D., Leff,P. & Bardsley,W.G. (1977) Biochem. J. 167, 787-798
63. Modification of enzyme action by non-specific binding of substrates.
Waight,R.D & Bardsley,W. G. (1977) Biochem. Soc. trans. 5, 782-785
64. On the interpretation on non-linear semi-logarithmic plots for the time-dependent inhibition of acetyl- cholinesterase by active site directed reagents.
Leff,P. & Bardsley,W.G. (1977) Biochem. Soc. trans. 5, 778-782
65. Some examples of the use of the theoretical parent hyperbola concept in enzyme kinetics.
Waight,R.D & Bardsley,W.G. (1977) Biochem. Soc. trans. 5, 785-789
66. The meaning of apparent kinetic constants obtained from non-linear double reciprocal plots.
Bardsley,W.G. (1977) Biochem. Soc. trans. 5, 756-758
67. The degree of steady-state rate equations for multi subunit allosteric enzymes.
Waight,R.D & Bardsley,W.G. (1977) Biochem. Soc. trans. 5, 758-761
68. Does any enzyme follow the Michaelis-Menten equation ? Hill,C.M., Waight,R.D. & Bardsley,W.G. (1977) Mol. Cell. Biochem. 15, 173-178
69. The relationship between cooperativity coefficients, factorability of the binding polynomial and curve shape.
Bardsley,W.G (1977) J. Mol. biol. 113, 573-578
70. Factorability of the allosteric binding polynomial and graphical manifestations of cooperativity in third degree saturation functions.
Bardsley,W.G. (1977) J. theor. Biol. 67, 407-431
71. The graphical diagnosis of positive and negative cooperativity and the factorability of the allosteric bind- ing polynomial.
Bardsley,W.G. (1977) Biochem. Soc. trans. 5, 753-756
72. The reduction in degree of allosteric and other complex rate equations using Sylvester’s dialytic method of elimination.
Bardsley,W.G. (1977) J. theor. Biol. 67, 121-139
73. The 3:3 function in enzyme kinetics. Possible shapes of v/S and (1/v)/(1/S) plots for third degree steady-state rate equations.
Bardsley,W.G. (1977) J. theor. Biol. 65, 281-316
74. Primary kinetic isotope effects in enzyme-catalysed reactions. A theoretical treatment and new experi- mental methods of study.
Bardsley,W.G. & Waight,R.D. (1976) J. theor. Biol. 63, 325-345
75. An analysis of non-linear Eadie-Hofstee-Scatchard representations of ligand binding and initial-rate data for allosteric and other complex enzyme mechanisms.
Childs,R.E. & Bardsley,W.G. (1976) J. theor. Biol. 63, 1-18
76. Human placental Amine Oxidase and plasma DAO levels in pregnancy and cancer.
Scott,I.V., Childs,R.E., Crabbe,M.J.C., Tindall,V.R. & Bardsley,W.G. (1977) In: Clinical EnzymologySymposia 1, Ed. Burlina,A. & Galzigna,L. pp. 97-112. Piccin medical Books, Padua and London.
77. Human kidney Diamine Oxidase. Inhibition studies.
Shindler,J.S & Bardsley,W.G. (1976) Biochem. Pharmacol. 25, 2689-2694
78. New methods for the study of complex enzyme kinetics. Illustrated by analysis of the wavy v vs. S curves and non-linear double reciprocal plots for human placental 15-hydroxyprostaglandin dehydrogenase.
Bardsley,W.G. & Crabbe,M.J.C (1976) Eur. J. Biochem. 68, 611-619
79. Deviation from Michaelis-Menten kinetics for Fumarase.
Crabbe,M.J.C & Bardsley,W.G. (1976) Biochem. J. 157, 333-337
80. Human placental Diamine Oxidase. Improved purification and characterisation of a copper- and manganese- containing Amine Oxidase with novel substrate specificity.
Crabbe,M.J.C., Waight,R.D., Bardsley,W.G., Barker,R.W., Kelly,I.D. & Knowles,P.F. (1976) Biochem. J.
155, 679-687
81. Peroxidase from human cervical mucus. The isolation and charcacterisation.
Shindler,J.S., Childs,R.E. & Bardsley,W.G. (1976) Eur. J. Biochem. 65, 325-331
82. The quantitative analysis of ligand-binding and initial-rate data for allosteric and other complex mecha- nisms.
Bardsley,W.G. (1976) Biochem. J. 153, 101-117
83. Time dependent inhibition of Diamine Oxidase by carbonyl-group reagents and urea.
Crabbe,M.J.C., Childs,R.E. & Bardsley,W.G. (1975) Eur. J. Biochem. 60, 325-333
84. Steady-state kinetics of Lactoperoxidase with ABTS as chromogen.
Shindler,J.S. & Bardsley,W.G. (1975) Biochem. Biophs. Res. Commun. 67, 1307-1312
85. Sigmoid curves, non-linear double reciprocal plots and allosterism.
Bardsley,W.G. & Childs,R.E. (1975) Biochem. J. 149, 313-328
86. Time dependent inhibition of enzymes by active-site directed reagents. A theoretical treatment of the kinetics of affinity labelling.
Childs,R.E. & Bardsley,W.G. (1975) J. theor. Biol. 53, 381-394
87. Allosteric and related phenomena. An analysis of sigmoid and non-hyperbolic functions.
Childs,R.E. & Bardsley,W.G. (1975) J. theor. Biol. 50, 45-58
88. Histamine and related compounds as substrates of Diamine Oxidase (Histaminase).
Hill,C.M & Bardsley,W.G. (1975) Biochem. Pharmacol. 24, 253-257
89. The steady-state kinetics of Peroxidase with 2,2’-azino-di-(3-ethyl-bezthiazoline-6-sulphonic acid) as chromogen.
Childs,R.E. & Bardsley,W.G. (1975) Biochem. J. 145, 93-103
90. A method for determining Diamine Oxidase (Histaminase) in biological fluids.
Bardsley,W.G., Crabbe,M.J.C. & Scott,I.V. (1974) Biochem. Med. 11, 138-146
91. Monoamine Oxidase inhibitors and other drugs as inhibitors of Diamine Oxidase from human placenta and pig kidney.
Crabbe,M.J.C & Bardsley,W.G. (1974) Biochem. Pharmacol. (1974) 23, 2983-2990
92. The inhibition of human placental Amine Oxidase by substrate analogues.
Crabbe,M.J.C & Bardsley,W.G. (1974) Biochem. J. 139, 183-189
93. The Amine Oxidases of human placenta and pregnancy plasma.
Bardsley,W.G., Crabbe,M.J.C. & Scott,I.V. (1974) Biochem. J. 139, 169-181
94. Inhibition of enzymes by metal ion chelating reagents: The action of copper chelating agents on Diamine Oxidase.
Bardsley,W.G., Crabbe,M.J.C. & Childs,R.E. (1974) Biochem. J. 137, 61-66
95. Inhibition of enzymes by metal ion chelating reagents. Theory and new graphical methods of study.
Bardsley,W.G. & Childs.R.E. (1974) Biochem. J. 137, 55-60
96. Kinetics of the Diamine Oxidase reaction.
Bardsley,W.G., Crabbe,M.J.C. & Shindler,J.S. (1973) Biochem. J. 131, 459-469
97. Properties of purified human placental Amine Oxidase and a possible role for this enzyme in normal pregnancy.
Bardsley,W.G. & Crabbe,M.J.C. (1973) Biochem. Soc. trans. 98. Inhibition of pig kidney Diamine Oxidase by substrate analogues.
Bardsley,W.G. & Ashford,J.S. (1972) Biochem. J. 128, 253-263
99. Oxidation of p-dimethylaminomethylbenzylamine by pig kidney Diamine Oxidase.
Bardsley,W.G., Crabbe,M.J.C., Shindler,J.S. & Ashford,J.S. (1972) Biochem. J. 127, 875-879
100. Synthesis and oxidation of aminoalkyl-onium compounds by pig kidney Diamine Oxidase.
Bardsley,W.G., Ashford,J.S & Hill,C.M. (1971) Biochem. J. 122, 557-567
101. Furano- and Pyrano-indolines: model compounds for indole alkaloid studies.
Britten,A.Z., Bardsley,W.G. & Hill,C.M. (1971) Tetrahedron 27, 5631-5639
102. A reinvestigation of the substrate specificity of pig kidney Diamine Oxidase.
Bardsley,W.G., Hill,C.M. & Lobley,R.W. (1970) Biochem. J. 117, 169-176
103. A study of the substrate-binding site in hog kidney Diamine Oxidase.
Bardsley,W.G. & Hill,C.M. (1970) Biophys. Res. Commun. 41, 1068-1071
104. A reinvestigation of the substrate specificity of pig kidney Diamine Oxidase.
Bardsley,W.G, Hill,C.M & Lobley,R.W. (1969) Brit. J. Pharmacol. 37, 541P
105. The structure of Calycanthidine.
Saxton,J.E., Bardsley,W.G. & Smith,G.F. (1962) Proc. Chem. Soc. 148

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