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CORDIS

Bioinformatics Services for Data-Driven Design of Cell Factories and Communities

Deliverables

Bi-directional connectivity of the visualization components with APIs and data sources
Novel enzyme and pathway candidates publicly available
Metabolic interaction simulation software publically available
First version of the database providing novel functional and enzyme annotations
Genomic/metagenomic gene catalog database

Multiple genomic and metagenomic resources will be mined to produce a normalized gene catalog database EMBL inhouse STRING and eggNOG databases currently providing proteinprotein interactions and orthology information for more than 3600 qualityfiltered genomes will be used to obtain data from fully sequenced organisms Additionally 2000 human gut samples and 240 ocean samples will be exploited to extract gene pools from unculturable organisms The expected size of the final database is estimated to be over 50M sequences Given the amount and heterogeneity of the source data optimal database design and administration will be critical Therefore this task will be carried out with the technical support of biobyte Solutions P9

Algorithms for optimization using model with protein synthesis and secretion
Large-scale kinetic models of relevant production hosts
Cloud hosting solution for web-services on CSC compute infrastructure
Models for quantitative simulation of protein secretion
Results of optimization for selected case-studies
Interactive pathway visualization components are available on the DeCaF platform
A toolbox for integration of metabolomics data into thermodynamically-curated GEMs

A toolbox for integration of metabolomics data into thermodynamicallycurated GEMs

Community design software publically available
Integration of gene and pathway mining components from WP2
Models for quantitative simulation of protein secretion by fungi
Models for quantitative simulation of protein secretion by bacterial hosts
Community model reconstruction pipeline publically available
Thermodynamically-curated GEMs with integrated metabolomics data
Software for designing synthetic microbial communities
Identifier translation service for metabolite, enzyme, gene, protein and reaction identifiers
Software for simulating metabolic interactions in microbial communities
General metaheuristics-based optimization framework
Functional annotation of gene catalog
Upload and access control system for processed omics data
Web-based cell factory and community design platform (DeCaF) hosted on CSC infrastructure
Algorithms for optimization using community models
Consortium-wide repository of methods, algorithms, software, and web-services that can be deployed as docker containers
Large-scale kinetic models of one fungal organism with integrated enzyme biosynthesis module
Models for yeast, E. coli and two other microorganisms that accounts for protein content
Large-scale kinetic models of one bacterial organism with integrated enzyme biosynthesis module
Algorithms for optimization using large-scale kinetic models
Integration of the visualization components with public data sources is implemented
Functional annotation pipeline established
Bioinformatics pipeline for building community metabolic models
Data Management Plan

First version of data management plan as required by Open Research Data Pilot

Publications

Nutritional preferences of human gut bacteria reveal their metabolic idiosyncrasies

Author(s): Melanie Tramontano, Sergej Andrejev, Mihaela Pruteanu, Martina Klünemann, Michael Kuhn, Marco Galardini, Paula Jouhten, Aleksej Zelezniak, Georg Zeller, Peer Bork, Athanasios Typas, Kiran Raosaheb Patil
Published in: Nature Microbiology, Issue 3/4, 2018, Page(s) 514-522, ISSN 2058-5276
Publisher: Nature Publishing Group
DOI: 10.1038/s41564-018-0123-9

CRISPR/Cpf1 enables fast and simple genome editing of Saccharomyces cerevisiae

Author(s): René Verwaal, Nathalie Buiting-Wiessenhaan, Sacha Dalhuijsen, Johannes A. Roubos
Published in: Yeast, Issue 35/2, 2018, Page(s) 201-211, ISSN 0749-503X
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/yea.3278

Similarity of the dog and human gut microbiomes in gene content and response to diet

Author(s): Luis Pedro Coelho, Jens Roat Kultima, Paul Igor Costea, Coralie Fournier, Yuanlong Pan, Gail Czarnecki-Maulden, Matthew Robert Hayward, Sofia K. Forslund, Thomas Sebastian Benedikt Schmidt, Patrick Descombes, Janet R. Jackson, Qinghong Li, Peer Bork
Published in: Microbiome, Issue 6/1, 2018, ISSN 2049-2618
Publisher: Springer Nature
DOI: 10.1186/s40168-018-0450-3

Stoichiometric Representation of Gene–Protein–Reaction Associations Leverages Constraint-Based Analysis from Reaction to Gene-Level Phenotype Prediction

Author(s): Machado, Daniel; Herrgard, Markus; Rocha, Isabel
Published in: PLoS Computational Biology, Issue 1, 2016, ISSN 1553-7358
Publisher: Public Library of Science
DOI: 10.1371/journal.pcbi.1005140

SLIMEr: probing flexibility of lipid metabolism in yeast with an improved constraint-based modeling framework

Author(s): Benjamín J. Sánchez, Feiran Li, Eduard J. Kerkhoven, Jens Nielsen
Published in: BMC Systems Biology, Issue 13/1, 2019, ISSN 1752-0509
Publisher: BioMed Central
DOI: 10.1186/s12918-018-0673-8

pyTFA and matTFA: a Python package and a Matlab toolbox for Thermodynamics-based Flux Analysis

Author(s): Pierre Salvy, Georgios Fengos, Meric Ataman, Thomas Pathier, Keng C Soh, Vassily Hatzimanikatis
Published in: Bioinformatics, 2018, ISSN 1367-4803
Publisher: Oxford University Press
DOI: 10.1093/bioinformatics/bty499

Fast automated reconstruction of genome-scale metabolic models for microbial species and communities

Author(s): Daniel Machado, Sergej Andrejev, Melanie Tramontano, Kiran Raosaheb Patil
Published in: Nucleic Acids Research, Issue 46/15, 2018, Page(s) 7542-7553, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gky537

Integration of enzymatic data in Bacillus subtilis genome-scale metabolic model improves phenotype predictions and enables in silico design of poly-γ-glutamic acid production strains

Author(s): Ilaria Massaiu, Lorenzo Pasotti, Nikolaus Sonnenschein, Erlinda Rama, Matteo Cavaletti, Paolo Magni, Cinzia Calvio, Markus J. Herrgård
Published in: Microbial Cell Factories, Issue 18/1, 2019, ISSN 1475-2859
Publisher: BioMed Central
DOI: 10.1186/s12934-018-1052-2

Microbial cell factories for the sustainable manufacturing of B vitamins

Author(s): Carlos G Acevedo-Rocha, Luisa S Gronenberg, Matthias Mack, Fabian M Commichau, Hans J Genee
Published in: Current Opinion in Biotechnology, Issue 56, 2019, Page(s) 18-29, ISSN 0958-1669
Publisher: Elsevier BV
DOI: 10.1016/j.copbio.2018.07.006

RapidRIP quantifies the intracellular metabolome of 7 industrial strains of E. coli

Author(s): Douglas McCloskey, Julia Xu, Lars Schrübbers, Hanne B. Christensen, Markus J. Herrgård
Published in: Metabolic Engineering, Issue 47, 2018, Page(s) 383-392, ISSN 1096-7176
Publisher: Academic Press
DOI: 10.1016/j.ymben.2018.04.009

Structure and function of the global topsoil microbiome

Author(s): Mohammad Bahram, Falk Hildebrand, Sofia K. Forslund, Jennifer L. Anderson, Nadejda A. Soudzilovskaia, Peter M. Bodegom, Johan Bengtsson-Palme, Sten Anslan, Luis Pedro Coelho, Helery Harend, Jaime Huerta-Cepas, Marnix H. Medema, Mia R. Maltz, Sunil Mundra, Pål Axel Olsson, Mari Pent, Sergei Põlme, Shinichi Sunagawa, Martin Ryberg, Leho Tedersoo, Peer Bork
Published in: Nature, Issue 560/7717, 2018, Page(s) 233-237, ISSN 0028-0836
Publisher: Nature Publishing Group
DOI: 10.1038/s41586-018-0386-6

Integration of Biomass Formulations of Genome-Scale Metabolic Models with Experimental Data Reveals Universally Essential Cofactors in Prokaryotes

Author(s): Xavier, Joana C.; Patil, Kiran Raosaheb; Rocha, Isabel
Published in: Metabolic Engineering, 2017, ISSN 1096-7176
Publisher: Academic Press
DOI: 10.1016/j.ymben.2016.12.002

Optlang: An algebraic modeling language for mathematical optimization

Author(s): Kristian Jensen, Joao G.R. Cardoso, Nikolaus Sonnenschein
Published in: The Journal of Open Source Software, Issue 2/9, 2017, ISSN 2475-9066
Publisher: The Journal of Open Source Software
DOI: 10.21105/joss.00139

proGenomes: a resource for consistent functional and taxonomic annotations of prokaryotic genomes

Author(s): Daniel R. Mende, Ivica Letunic, Jaime Huerta-Cepas, Simone S. Li, Kristoffer Forslund, Shinichi Sunagawa, Peer Bork
Published in: Nucleic Acids Research, Issue 45/D1, 2017, Page(s) D529-D534, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkw989

Fast Genome-Wide Functional Annotation through Orthology Assignment by eggNOG-Mapper

Author(s): Jaime Huerta-Cepas, Kristoffer Forslund, Luis Pedro Coelho, Damian Szklarczyk, Lars Juhl Jensen, Christian von Mering, Peer Bork
Published in: Molecular Biology and Evolution, 2017, ISSN 0737-4038
Publisher: Oxford University Press
DOI: 10.1093/molbev/msx148

Metabolic anchor reactions for robust biorefining

Author(s): Paula Jouhten, Jaime Huerta-Cepas, Peer Bork, Kiran Raosaheb Patil
Published in: Metabolic Engineering, Issue 40, 2017, Page(s) 1-4, ISSN 1096-7176
Publisher: Academic Press
DOI: 10.1016/j.ymben.2017.02.010

Systems biology solutions for biochemical production challenges

Author(s): Anne Sofie L?rke Hansen, Rebecca M. Lennen, Nikolaus Sonnenschein, Markus J Herrg?rd
Published in: Current Opinion in Biotechnology, Issue 45, 2017, Page(s) 85-91, ISSN 0958-1669
Publisher: Elsevier BV
DOI: 10.1016/j.copbio.2016.11.018

Metabolic models and gene essentiality data reveal essential and conserved metabolism in prokaryotes

Author(s): Joana C. Xavier, Kiran Raosaheb Patil, Isabel Rocha
Published in: PLOS Computational Biology, Issue 14/11, 2018, Page(s) e1006556, ISSN 1553-7358
Publisher: PLOS Computational Biology
DOI: 10.1371/journal.pcbi.1006556

Gene Expression Changes and Community Turnover Differentially Shape the Global Ocean Metatranscriptome

Author(s): Guillem Salazar, Lucas Paoli, Adriana Alberti, Jaime Huerta-Cepas, Hans-Joachim Ruscheweyh, Miguelangel Cuenca, Christopher M. Field, Luis Pedro Coelho, Corinne Cruaud, Stefan Engelen, Ann C. Gregory, Karine Labadie, Claudie Marec, Eric Pelletier, Marta Royo-Llonch, Simon Roux, Pablo Sánchez, Hideya Uehara, Ahmed A. Zayed, Georg Zeller, Margaux Carmichael, Céline Dimier, Joannie Ferland, Stefani
Published in: Cell, Issue 179/5, 2019, Page(s) 1068-1083.e21, ISSN 0092-8674
Publisher: Cell Press
DOI: 10.1016/j.cell.2019.10.014

MARSI: metabolite analogues for rational strain improvement

Author(s): João G R Cardoso, Ahmad A Zeidan, Kristian Jensen, Nikolaus Sonnenschein, Ana Rute Neves, Markus J Herrgård
Published in: Bioinformatics, Issue 34/13, 2018, Page(s) 2319-2321, ISSN 1367-4803
Publisher: Oxford University Press
DOI: 10.1093/bioinformatics/bty108

Selecting the Best: Evolutionary Engineering of Chemical Production in Microbes

Author(s): Denis Shepelin, Anne Hansen, Rebecca Lennen, Hao Luo, Markus Herrgård
Published in: Genes, Issue 9/5, 2018, Page(s) 249, ISSN 2073-4425
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/genes9050249

A metabolic reconstruction of Lactobacillus reuteri JCM 1112 and analysis of its potential as a cell factory

Author(s): Thordis Kristjansdottir, Elleke F. Bosma, Filipe Branco dos Santos, Emre Özdemir, Markus J. Herrgård, Lucas França, Bruno Ferreira, Alex T. Nielsen, Steinn Gudmundsson
Published in: Microbial Cell Factories, Issue 18/1, 2019, ISSN 1475-2859
Publisher: BioMed Central
DOI: 10.1186/s12934-019-1229-3

Comparison of pathway analysis and constraint-based methods for cell factory design

Author(s): Vítor Vieira, Paulo Maia, Miguel Rocha, Isabel Rocha
Published in: BMC Bioinformatics, Issue 20/1, 2019, ISSN 1471-2105
Publisher: BioMed Central
DOI: 10.1186/s12859-019-2934-y

A Review of Dynamic Modeling Approaches and Their Application in Computational Strain Optimization for Metabolic Engineering

Author(s): Osvaldo D. Kim, Miguel Rocha, Paulo Maia
Published in: Frontiers in Microbiology, Issue 9, 2018, ISSN 1664-302X
Publisher: Frontiers Media
DOI: 10.3389/fmicb.2018.01690

Cameo: A Python Library for Computer Aided Metabolic Engineering and Optimization of Cell Factories

Author(s): João G. R. Cardoso, Kristian Jensen, Christian Lieven, Anne Sofie Lærke Hansen, Svetlana Galkina, Moritz Beber, Emre Özdemir, Markus J. Herrgård, Henning Redestig, Nikolaus Sonnenschein
Published in: ACS Synthetic Biology, Issue 7/4, 2018, Page(s) 1163-1166, ISSN 2161-5063
Publisher: American Chemical Society
DOI: 10.1021/acssynbio.7b00423

Antibiotics-induced monodominance of a novel gut bacterial order

Author(s): Falk Hildebrand, Lucas Moitinho-Silva, Sonja Blasche, Martin T Jahn, Toni Ingolf Gossmann, Jaime Huerta-Cepas, Rajna Hercog, Mechthild Luetge, Mohammad Bahram, Anna Pryszlak, Renato J Alves, Sebastian M Waszak, Ana Zhu, Lumeng Ye, Paul Igor Costea, Steven Aalvink, Clara Belzer, Sofia K Forslund, Shinichi Sunagawa, Ute Hentschel, Christoph Merten, Kiran Raosaheb Patil, Vladimir Benes, Peer Bork
Published in: Gut, Issue 68/10, 2019, Page(s) 1781-1790, ISSN 0017-5749
Publisher: BMJ Publishing Group
DOI: 10.1136/gutjnl-2018-317715

Discovery and implementation of a novel pathway for n-butanol production via 2-oxoglutarate

Author(s): Sofia Ferreira, Rui Pereira, Filipe Liu, Paulo Vilaça, Isabel Rocha
Published in: Biotechnology for Biofuels, Issue 12/1, 2019, ISSN 1754-6834
Publisher: Biotechnology and Biofuels
DOI: 10.1186/s13068-019-1565-x

SamPler – a novel method for selecting parameters for gene functional annotation routines

Author(s): Fernando Cruz, Davide Lagoa, João Mendes, Isabel Rocha, Eugénio C. Ferreira, Miguel Rocha, Oscar Dias
Published in: BMC Bioinformatics, Issue 20/1, 2019, ISSN 1471-2105
Publisher: BioMed Central
DOI: 10.1186/s12859-019-3038-4

Genome-wide sequencing and metabolic annotation of Pythium irregulare CBS 494.86: understanding Eicosapentaenoic acid production

Author(s): Bruna S. Fernandes, Oscar Dias, Gisela Costa, Antonio A. Kaupert Neto, Tiago F. C. Resende, Juliana V. C. Oliveira, Diego M. Riaño-Pachón, Marcelo Zaiat, José G. C. Pradella, Isabel Rocha
Published in: BMC Biotechnology, Issue 19/1, 2019, ISSN 1472-6750
Publisher: BioMed Central
DOI: 10.1186/s12896-019-0529-3

iDS372, a Phenotypically Reconciled Model for the Metabolism of Streptococcus pneumoniae Strain R6

Author(s): Oscar Dias, João Saraiva, Cristiana Faria, Mario Ramirez, Francisco Pinto, Isabel Rocha
Published in: Frontiers in Microbiology, Issue 10, 2019, ISSN 1664-302X
Publisher: Frontiers Media
DOI: 10.3389/fmicb.2019.01283

Disentangling the impact of environmental and phylogenetic constraints on prokaryotic within-species diversity

Author(s): Oleksandr M. Maistrenko, Daniel R. Mende, Mechthild Luetge, Falk Hildebrand, Thomas S. B. Schmidt, Simone S. Li, João F. Matias Rodrigues, Christian von Mering, Luis Pedro Coelho, Jaime Huerta-Cepas, Shinichi Sunagawa, Peer Bork
Published in: The ISME Journal, Issue 14/5, 2020, Page(s) 1247-1259, ISSN 1751-7362
Publisher: Nature Publishing Group
DOI: 10.1038/s41396-020-0600-z

CoBAMP: a Python framework for metabolic pathway analysis in constraint-based models

Author(s): Vítor Vieira, Miguel Rocha
Published in: Bioinformatics, Issue 35/24, 2019, Page(s) 5361-5362, ISSN 1367-4803
Publisher: Oxford University Press
DOI: 10.1093/bioinformatics/btz598

OptCouple: Joint simulation of gene knockouts, insertions and medium modifications for prediction of growth-coupled strain designs

Author(s): Kristian Jensen, Valentijn Broeken, Anne Sofie Lærke Hansen, Nikolaus Sonnenschein, Markus J. Herrgård
Published in: Metabolic Engineering Communications, Issue 8, 2019, Page(s) e00087, ISSN 2214-0301
Publisher: Elsevier BV
DOI: 10.1016/j.mec.2019.e00087

Wiring cell growth to product formation

Author(s): Josi Buerger, Luisa S. Gronenberg, Hans Jasper Genee, Morten O.A. Sommer
Published in: Current Opinion in Biotechnology, Issue 59, 2019, Page(s) 85-92, ISSN 0958-1669
Publisher: Elsevier BV
DOI: 10.1016/j.copbio.2019.02.014

NG-meta-profiler: fast processing of metagenomes using NGLess, a domain-specific language

Author(s): Luis Pedro Coelho, Renato Alves, Paulo Monteiro, Jaime Huerta-Cepas, Ana Teresa Freitas, Peer Bork
Published in: Microbiome, Issue 7/1, 2019, ISSN 2049-2618
Publisher: Microbiome
DOI: 10.1186/s40168-019-0684-8

Particle-Based Simulation Reveals Macromolecular Crowding Effects on the Michaelis-Menten Mechanism

Author(s): Daniel R. Weilandt, Vassily Hatzimanikatis
Published in: Biophysical Journal, Issue 117/2, 2019, Page(s) 355-368, ISSN 0006-3495
Publisher: Biophysical Society
DOI: 10.1016/j.bpj.2019.06.017

The ETFL formulation allows multi-omics integration in thermodynamics-compliant metabolism and expression models

Author(s): Pierre Salvy, Vassily Hatzimanikatis
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-019-13818-7

A consensus S. cerevisiae metabolic model Yeast8 and its ecosystem for comprehensively probing cellular metabolism

Author(s): Hongzhong Lu, Feiran Li, Benjamín J. Sánchez, Zhengming Zhu, Gang Li, Iván Domenzain, Simonas Marcišauskas, Petre Mihail Anton, Dimitra Lappa, Christian Lieven, Moritz Emanuel Beber, Nikolaus Sonnenschein, Eduard J. Kerkhoven, Jens Nielsen
Published in: Nature Communications, Issue 10/1, 2019, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-019-11581-3

Model-Assisted Fine-Tuning of Central Carbon Metabolism in Yeast through dCas9-Based Regulation

Author(s): Raphael Ferreira, Christos Skrekas, Alex Hedin, Benjamín J. Sánchez, Verena Siewers, Jens Nielsen, Florian David
Published in: ACS Synthetic Biology, Issue 8/11, 2019, Page(s) 2457-2463, ISSN 2161-5063
Publisher: American Chemical Society
DOI: 10.1021/acssynbio.9b00258

CRISPR/Cas12a Multiplex Genome Editing of <em>Saccharomyces cerevisiae</em> and the Creation of Yeast Pixel Art

Author(s): Klaudia Ciurkot, Brenda Vonk, Thomas E. Gorochowski, Johannes A. Roubos, René Verwaal
Published in: Journal of Visualized Experiments, Issue 147, 2019, ISSN 1940-087X
Publisher: MYJoVE Corporation
DOI: 10.3791/59350

Improved biotin, thiamine, and lipoic acid biosynthesis by engineering the global regulator IscR

Author(s): Anne P. Bali, David Lennox-Hvenekilde, Nils Myling-Petersen, Josi Buerger, Bo Salomonsen, Luisa S. Gronenberg, Morten O.A. Sommer, Hans J. Genee
Published in: Metabolic Engineering, Issue 60, 2020, Page(s) 97-109, ISSN 1096-7176
Publisher: Academic Press
DOI: 10.1016/j.ymben.2020.03.005

Kinetic models of metabolism that consider alternative steady-state solutions of intracellular fluxes and concentrations

Author(s): Tuure Hameri, Georgios Fengos, Meric Ataman, Ljubisa Miskovic, Vassily Hatzimanikatis
Published in: Metabolic Engineering, Issue 52, 2019, Page(s) 29-41, ISSN 1096-7176
Publisher: Academic Press
DOI: 10.1016/j.ymben.2018.10.005

Energy metabolism controls phenotypes by protein efficiency and allocation

Author(s): Yu Chen, Jens Nielsen
Published in: Proceedings of the National Academy of Sciences, Issue 116/35, 2019, Page(s) 17592-17597, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1906569116

redGEM: Systematic reduction and analysis of genome-scale metabolic reconstructions for development of consistent core metabolic models

Author(s): Meric Ataman, Daniel F. Hernandez Gardiol, Georgios Fengos, Vassily Hatzimanikatis
Published in: PLOS Computational Biology, Issue 13/7, 2017, Page(s) e1005444, ISSN 1553-7358
Publisher: Public Library of Science
DOI: 10.1371/journal.pcbi.1005444

lumpGEM: Systematic generation of subnetworks and elementally balanced lumped reactions for the biosynthesis of target metabolites

Author(s): Meric Ataman, Vassily Hatzimanikatis
Published in: PLOS Computational Biology, Issue 13/7, 2017, Page(s) e1005513, ISSN 1553-7358
Publisher: Public Library of Science
DOI: 10.1371/journal.pcbi.1005513

Improving the phenotype predictions of a yeast genome‐scale metabolic model by incorporating enzymatic constraints

Author(s): Benjamín J Sánchez, Cheng Zhang, Avlant Nilsson, Petri‐Jaan Lahtvee, Eduard J Kerkhoven, Jens Nielsen
Published in: Molecular Systems Biology, Issue 13/8, 2017, Page(s) 935, ISSN 1744-4292
Publisher: Nature Publishing Group
DOI: 10.15252/msb.20167411

Yeast Creates a Niche for Symbiotic Lactic Acid Bacteria through Nitrogen Overflow

Author(s): Olga Ponomarova, Natalia Gabrielli, Daniel C. Sévin, Michael Mülleder, Katharina Zirngibl, Katsiaryna Bulyha, Sergej Andrejev, Eleni Kafkia, Athanasios Typas, Uwe Sauer, Markus Ralser, Kiran Raosaheb Patil
Published in: Cell Systems, 2017, ISSN 2405-4712
Publisher: Elsevier Inc
DOI: 10.1016/j.cels.2017.09.002

Identification of robust strain designs via tandem pFBA/LMOMA phenotype prediction

Author(s): Paulo Maia, Isabel Rocha, Miguel Rocha
Published in: Proceedings of the Genetic and Evolutionary Computation Conference Companion on - GECCO '17, 2017, Page(s) 1661-1668, ISBN 9781-450349390
Publisher: ACM Press
DOI: 10.1145/3067695.3082542

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