{"id":"https://openalex.org/W7221124622","doi":"https://doi.org/10.1039/d6cy00980h","title":"Implementing modular design principles for molecular homogeneous catalyst discovery","display_name":"Implementing modular design principles for molecular homogeneous catalyst discovery","publication_year":2026,"publication_date":"2026-01-01","ids":{"openalex":"https://openalex.org/W7221124622","doi":"https://doi.org/10.1039/d6cy00980h","pmid":"https://pubmed.ncbi.nlm.nih.gov/42903439","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/13680910"},"language":"en","primary_location":{"id":"doi:10.1039/d6cy00980h","doi":"https://doi.org/10.1039/d6cy00980h","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d6cy00980h","pdf_url":"https://pubs.rsc.org/cy/article-pdf/doi/10.1039/D6CY00980H/14864404/d6cy00980h.pdf","source":{"id":"https://openalex.org/S2482773761","display_name":"Catalysis Science & Technology","issn_l":"2044-4753","issn":["2044-4753","2044-4761"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Catalysis Science & Technology","raw_type":"journal-article"},"volume":null,"type":"review","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.rsc.org/cy/article-pdf/doi/10.1039/D6CY00980H/14864404/d6cy00980h.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5015360281","display_name":"Francis Millward","orcid":"https://orcid.org/0000-0002-6342-1326","observed_orcids":["https://orcid.org/0000-0002-6342-1326"]},"institutions":[{"id":"https://openalex.org/I98677209","display_name":"University of Edinburgh","ror":"https://ror.org/01nrxwf90","country_code":"GB","type":"education","lineage":["https://openalex.org/I98677209"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Francis Millward","raw_affiliation_strings":["School of Chemistry, The University of Edinburgh, Edinburgh EH9 3FJ, UK"],"raw_orcid":"https://orcid.org/0000-0002-6342-1326","affiliations":[{"raw_affiliation_string":"School of Chemistry, The University of Edinburgh, Edinburgh EH9 3FJ, UK","institution_ids":["https://openalex.org/I98677209"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116808225","display_name":"Benjamin S. Grills","orcid":"https://orcid.org/0009-0001-1309-3897","observed_orcids":["https://orcid.org/0009-0001-1309-3897"]},"institutions":[{"id":"https://openalex.org/I98677209","display_name":"University of Edinburgh","ror":"https://ror.org/01nrxwf90","country_code":"GB","type":"education","lineage":["https://openalex.org/I98677209"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Benjamin S. Grills","raw_affiliation_strings":["School of Chemistry, The University of Edinburgh, Edinburgh EH9 3FJ, UK"],"raw_orcid":"https://orcid.org/0009-0001-1309-3897","affiliations":[{"raw_affiliation_string":"School of Chemistry, The University of Edinburgh, Edinburgh EH9 3FJ, UK","institution_ids":["https://openalex.org/I98677209"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057315251","display_name":"Elizabeth M. Dauncey","orcid":"https://orcid.org/0000-0002-6953-5615","observed_orcids":["https://orcid.org/0000-0002-6953-5615"]},"institutions":[{"id":"https://openalex.org/I105036370","display_name":"AstraZeneca (United Kingdom)","ror":"https://ror.org/04r9x1a08","country_code":"GB","type":"company","lineage":["https://openalex.org/I105036370"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Elizabeth M. Dauncey","raw_affiliation_strings":["Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield SK10 2NA, UK"],"raw_orcid":"https://orcid.org/0000-0002-6953-5615","affiliations":[{"raw_affiliation_string":"Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield SK10 2NA, UK","institution_ids":["https://openalex.org/I105036370"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010754912","display_name":"Kenneth Clark","orcid":"https://orcid.org/0009-0001-6065-9646","observed_orcids":["https://orcid.org/0009-0001-6065-9646"]},"institutions":[{"id":"https://openalex.org/I105036370","display_name":"AstraZeneca (United Kingdom)","ror":"https://ror.org/04r9x1a08","country_code":"GB","type":"company","lineage":["https://openalex.org/I105036370"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Kenneth F. Clark","raw_affiliation_strings":["Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield SK10 2NA, UK"],"raw_orcid":"https://orcid.org/0009-0001-6065-9646","affiliations":[{"raw_affiliation_string":"Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield SK10 2NA, UK","institution_ids":["https://openalex.org/I105036370"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5158028474","display_name":"Benjamin Bhawal","orcid":"https://orcid.org/0000-0002-8552-1547","observed_orcids":["https://orcid.org/0000-0002-8552-1547"]},"institutions":[{"id":"https://openalex.org/I98677209","display_name":"University of Edinburgh","ror":"https://ror.org/01nrxwf90","country_code":"GB","type":"education","lineage":["https://openalex.org/I98677209"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Benjamin N. Bhawal","raw_affiliation_strings":["School of Chemistry, The University of Edinburgh, Edinburgh EH9 3FJ, UK"],"raw_orcid":"https://orcid.org/0000-0002-8552-1547","affiliations":[{"raw_affiliation_string":"School of Chemistry, The University of Edinburgh, Edinburgh EH9 3FJ, UK","institution_ids":["https://openalex.org/I98677209"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5158028474"],"corresponding_institution_ids":["https://openalex.org/I98677209"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.44,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10092","display_name":"Organometallic Complex Synthesis and Catalysis","score":0.3334999978542328,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10092","display_name":"Organometallic Complex Synthesis and Catalysis","score":0.3334999978542328,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10013","display_name":"Asymmetric Synthesis and Catalysis","score":0.1665000021457672,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11281","display_name":"Asymmetric Hydrogenation and Catalysis","score":0.11289999634027481,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/modular-design","display_name":"modular design","score":0.9160000085830688},{"id":"https://openalex.org/keywords/ligand-design","display_name":"ligand design","score":0.7170000076293945},{"id":"https://openalex.org/keywords/organocatalysts","display_name":"organocatalysts","score":0.9570000171661377},{"id":"https://openalex.org/keywords/photocatalysts","display_name":"photocatalysts","score":0.9980000257492065},{"id":"https://openalex.org/keywords/catalytic-selectivity","display_name":"catalyst selectivity","score":0.8690000176429749}],"concepts":[{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.7645000219345093},{"id":"https://openalex.org/C101468663","wikidata":"https://www.wikidata.org/wiki/Q1620158","display_name":"Modular design","level":2,"score":0.73580002784729},{"id":"https://openalex.org/C66882249","wikidata":"https://www.wikidata.org/wiki/Q169336","display_name":"Homogeneous","level":2,"score":0.7193999886512756},{"id":"https://openalex.org/C33276779","wikidata":"https://www.wikidata.org/wiki/Q1943363","display_name":"Design elements and principles","level":2,"score":0.5415999889373779},{"id":"https://openalex.org/C118792377","wikidata":"https://www.wikidata.org/wiki/Q108584245","display_name":"Selectivity","level":3,"score":0.4943000078201294},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.48100000619888306},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3950999975204468},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.38830000162124634},{"id":"https://openalex.org/C109474758","wikidata":"https://www.wikidata.org/wiki/Q1411716","display_name":"Homogeneous catalysis","level":3,"score":0.3626999855041504},{"id":"https://openalex.org/C2777614354","wikidata":"https://www.wikidata.org/wiki/Q55648394","display_name":"Modular construction","level":3,"score":0.34610000252723694},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.34290000796318054},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.32739999890327454},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3133000135421753},{"id":"https://openalex.org/C21880701","wikidata":"https://www.wikidata.org/wiki/Q2144042","display_name":"Process engineering","level":1,"score":0.2678000032901764},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.26350000500679016},{"id":"https://openalex.org/C2777152284","wikidata":"https://www.wikidata.org/wiki/Q17590603","display_name":"Material Design","level":2,"score":0.257999986410141}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1039/d6cy00980h","doi":"https://doi.org/10.1039/d6cy00980h","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d6cy00980h","pdf_url":"https://pubs.rsc.org/cy/article-pdf/doi/10.1039/D6CY00980H/14864404/d6cy00980h.pdf","source":{"id":"https://openalex.org/S2482773761","display_name":"Catalysis Science & Technology","issn_l":"2044-4753","issn":["2044-4753","2044-4761"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Catalysis Science & Technology","raw_type":"journal-article"},{"id":"pmid:42903439","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42903439","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Catalysis science & technology","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13680910","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13680910/","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Catal Sci Technol","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1039/d6cy00980h","doi":"https://doi.org/10.1039/d6cy00980h","is_oa":true,"landing_page_url":"https://doi.org/10.1039/d6cy00980h","pdf_url":"https://pubs.rsc.org/cy/article-pdf/doi/10.1039/D6CY00980H/14864404/d6cy00980h.pdf","source":{"id":"https://openalex.org/S2482773761","display_name":"Catalysis Science & Technology","issn_l":"2044-4753","issn":["2044-4753","2044-4761"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Catalysis Science & Technology","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320320006","display_name":"Royal Society","ror":"https://ror.org/03wnrjx87"},{"id":"https://openalex.org/F4320320332","display_name":"University of Edinburgh","ror":"https://ror.org/01nrxwf90"},{"id":"https://openalex.org/F4320334627","display_name":"Engineering and Physical Sciences Research Council","ror":"https://ror.org/0439y7842"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7221124622.pdf","grobid_xml":"https://content.openalex.org/works/W7221124622.grobid-xml"},"referenced_works_count":1,"referenced_works":["https://openalex.org/W2223799225"],"related_works":["https://openalex.org/W2093789185","https://openalex.org/W7116063796","https://openalex.org/W4391280771","https://openalex.org/W2074402808","https://openalex.org/W1998890938","https://openalex.org/W7095679407","https://openalex.org/W2799298762","https://openalex.org/W2534545403","https://openalex.org/W2170527412","https://openalex.org/W7214549405"],"abstract_inverted_index":{"Optimising":[0],"the":[1,61],"structure":[2,40],"of":[3,47,63],"molecular":[4],"homogeneous":[5],"catalysts":[6],"is":[7],"essential":[8],"to":[9,22,79,83],"ensure":[10],"they":[11],"perform":[12],"as":[13],"desired.":[14],"This":[15],"can":[16],"be":[17],"particularly":[18],"challenging":[19],"when":[20],"seeking":[21],"realise":[23],"selectivity":[24],"in":[25],"a":[26,34],"catalytic":[27],"process.":[28],"The":[29],"modular":[30,81],"design":[31],"strategy":[32],"provides":[33],"powerful":[35],"approach":[36],"for":[37],"evaluating":[38],"catalyst":[39,51,57],"by":[41],"generating":[42],"large":[43],"and":[44,59,88],"diverse":[45],"libraries":[46,52],"catalysts.":[48,66],"Evaluating":[49],"these":[50],"gives":[53],"invaluable":[54],"insights":[55],"into":[56],"function":[58],"informs":[60],"development":[62],"more":[64],"efficient":[65],"In":[67],"this":[68],"perspective,":[69],"we":[70],"look":[71],"at":[72],"various":[73],"strategies":[74],"that":[75],"have":[76],"been":[77],"used":[78],"implement":[80],"designs":[82],"develop":[84],"new":[85],"ligands,":[86],"organocatalysts":[87],"photocatalysts.":[89]},"counts_by_year":[],"updated_date":"2026-11-08T12:12:28.789561","created_date":"2026-10-10T00:00:00"}