{"id":"https://openalex.org/W2554717978","doi":"https://doi.org/10.3390/computation4040043","title":"A Theoretical Study of One- and Two-Photon Activity of D-Luciferin","display_name":"A Theoretical Study of One- and Two-Photon Activity of D-Luciferin","publication_year":2016,"publication_date":"2016-11-17","ids":{"openalex":"https://openalex.org/W2554717978","doi":"https://doi.org/10.3390/computation4040043","mag":"2554717978"},"language":"en","primary_location":{"id":"doi:10.3390/computation4040043","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation4040043","pdf_url":"https://www.mdpi.com/2079-3197/4/4/43/pdf?version=1479370625","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2079-3197/4/4/43/pdf?version=1479370625","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5109378189","display_name":"Mausumi Chattopadhyaya","orcid":null},"institutions":[{"id":"https://openalex.org/I106542073","display_name":"University of Calcutta","ror":"https://ror.org/01e7v7w47","country_code":"IN","type":"education","lineage":["https://openalex.org/I106542073"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Mausumi Chattopadhyaya","raw_affiliation_strings":["Department of Chemistry, University of Calcutta, 92 A.P.C. Road, Kolkata 700009, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Calcutta, 92 A.P.C. Road, Kolkata 700009, India","institution_ids":["https://openalex.org/I106542073"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100737427","display_name":"Md. Mehboob Alam","orcid":"https://orcid.org/0000-0002-6198-3077"},"institutions":[{"id":"https://openalex.org/I106542073","display_name":"University of Calcutta","ror":"https://ror.org/01e7v7w47","country_code":"IN","type":"education","lineage":["https://openalex.org/I106542073"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210096046","display_name":"Institut de Chimie de Strasbourg","ror":"https://ror.org/00se7bf12","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I4210096046","https://openalex.org/I4210128300","https://openalex.org/I68947357"]},{"id":"https://openalex.org/I4210130154","display_name":"Laboratoire de Chimie","ror":"https://ror.org/02gaw1s20","country_code":"FR","type":"facility","lineage":["https://openalex.org/I100532134","https://openalex.org/I113428412","https://openalex.org/I1294671590","https://openalex.org/I203339264","https://openalex.org/I203339264","https://openalex.org/I4210130154"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR","IN"],"is_corresponding":true,"raw_author_name":"Md. Alam","raw_affiliation_strings":["Department of Chemistry, University of Calcutta, 92 A.P.C. Road, Kolkata 700009, India","Laboratoire de Chimie Quantique, Institut de Chimie, CNRS/Universit\u00e9 de Strasbourg, 4 rue Blaise Pascal, Strasbourg 67000, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Calcutta, 92 A.P.C. Road, Kolkata 700009, India","institution_ids":["https://openalex.org/I106542073"]},{"raw_affiliation_string":"Laboratoire de Chimie Quantique, Institut de Chimie, CNRS/Universit\u00e9 de Strasbourg, 4 rue Blaise Pascal, Strasbourg 67000, France","institution_ids":["https://openalex.org/I4210096046","https://openalex.org/I68947357","https://openalex.org/I4210130154","https://openalex.org/I1294671590"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5100737427","https://openalex.org/A5109378189"],"corresponding_institution_ids":["https://openalex.org/I106542073","https://openalex.org/I1294671590","https://openalex.org/I4210096046","https://openalex.org/I4210130154","https://openalex.org/I68947357"],"apc_list":{"value":1400,"currency":"CHF","value_usd":1515},"apc_paid":{"value":1400,"currency":"CHF","value_usd":1515},"fwci":0.0,"has_fulltext":true,"cited_by_count":3,"citation_normalized_percentile":{"value":0.0942031,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"4","issue":"4","first_page":"43","last_page":"43"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11708","display_name":"Photochromic and Fluorescence Chemistry","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11708","display_name":"Photochromic and Fluorescence Chemistry","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11788","display_name":"Nonlinear Optical Materials Studies","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12236","display_name":"Photoreceptor and optogenetics research","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/polarity","display_name":"Polarity (international relations)","score":0.7259076833724976},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.6356366872787476},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5357574224472046},{"id":"https://openalex.org/keywords/photon","display_name":"Photon","score":0.5058150291442871},{"id":"https://openalex.org/keywords/polar","display_name":"Polar","score":0.503771960735321},{"id":"https://openalex.org/keywords/absorption","display_name":"Absorption (acoustics)","score":0.4886832535266876},{"id":"https://openalex.org/keywords/two-photon-excitation-microscopy","display_name":"Two-photon excitation microscopy","score":0.48424264788627625},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.47334957122802734},{"id":"https://openalex.org/keywords/work","display_name":"Work (physics)","score":0.46834227442741394},{"id":"https://openalex.org/keywords/solvent","display_name":"Solvent","score":0.4468928277492523},{"id":"https://openalex.org/keywords/two-photon-absorption","display_name":"Two-photon absorption","score":0.4460962116718292},{"id":"https://openalex.org/keywords/excitation","display_name":"Excitation","score":0.39675387740135193},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.38462185859680176},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3754752278327942},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.36351096630096436},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.2887006998062134},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.28841346502304077},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.23511803150177002},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.11087286472320557},{"id":"https://openalex.org/keywords/optics","display_name":"Optics","score":0.10474103689193726}],"concepts":[{"id":"https://openalex.org/C2777361361","wikidata":"https://www.wikidata.org/wiki/Q1112585","display_name":"Polarity (international relations)","level":3,"score":0.7259076833724976},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6356366872787476},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5357574224472046},{"id":"https://openalex.org/C159317903","wikidata":"https://www.wikidata.org/wiki/Q3198","display_name":"Photon","level":2,"score":0.5058150291442871},{"id":"https://openalex.org/C29705727","wikidata":"https://www.wikidata.org/wiki/Q294562","display_name":"Polar","level":2,"score":0.503771960735321},{"id":"https://openalex.org/C125287762","wikidata":"https://www.wikidata.org/wiki/Q1758948","display_name":"Absorption (acoustics)","level":2,"score":0.4886832535266876},{"id":"https://openalex.org/C47785574","wikidata":"https://www.wikidata.org/wiki/Q373859","display_name":"Two-photon excitation microscopy","level":3,"score":0.48424264788627625},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.47334957122802734},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.46834227442741394},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.4468928277492523},{"id":"https://openalex.org/C101075120","wikidata":"https://www.wikidata.org/wiki/Q231917","display_name":"Two-photon absorption","level":3,"score":0.4460962116718292},{"id":"https://openalex.org/C83581075","wikidata":"https://www.wikidata.org/wiki/Q1361503","display_name":"Excitation","level":2,"score":0.39675387740135193},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.38462185859680176},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3754752278327942},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.36351096630096436},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.2887006998062134},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.28841346502304077},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.23511803150177002},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.11087286472320557},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.10474103689193726},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C1491633281","wikidata":"https://www.wikidata.org/wiki/Q7868","display_name":"Cell","level":2,"score":0.0},{"id":"https://openalex.org/C520434653","wikidata":"https://www.wikidata.org/wiki/Q38867","display_name":"Laser","level":2,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.3390/computation4040043","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation4040043","pdf_url":"https://www.mdpi.com/2079-3197/4/4/43/pdf?version=1479370625","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:f77078a6b4b34651b5c259e52ce94934","is_oa":true,"landing_page_url":"https://doaj.org/article/f77078a6b4b34651b5c259e52ce94934","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation, Vol 4, Iss 4, p 43 (2016)","raw_type":"article"},{"id":"pmh:oai:mdpi.com:/2079-3197/4/4/43/","is_oa":true,"landing_page_url":"https://dx.doi.org/10.3390/computation4040043","pdf_url":null,"source":{"id":"https://openalex.org/S4306400947","display_name":"MDPI (MDPI AG)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210097602","host_organization_name":"Multidisciplinary Digital Publishing Institute (Switzerland)","host_organization_lineage":["https://openalex.org/I4210097602"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation; Volume 4; Issue 4; Pages: 43","raw_type":"Text"},{"id":"pmh:oai:pure.mpg.de:item_2404307","is_oa":true,"landing_page_url":"http://hdl.handle.net/11858/00-001M-0000-002C-9345-A","pdf_url":null,"source":{"id":"https://openalex.org/S4306400654","display_name":"MPG.PuRe (Max Planck Society)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.3390/computation4040043","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation4040043","pdf_url":"https://www.mdpi.com/2079-3197/4/4/43/pdf?version=1479370625","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.7300000190734863,"display_name":"Affordable and clean energy"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320308269","display_name":"Alexander von Humboldt-Stiftung","ror":"https://ror.org/012kf4317"},{"id":"https://openalex.org/F4320320883","display_name":"Agence Nationale de la Recherche","ror":"https://ror.org/00rbzpz17"},{"id":"https://openalex.org/F4320321479","display_name":"University of Calcutta","ror":"https://ror.org/01e7v7w47"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":39,"referenced_works":["https://openalex.org/W1508697289","https://openalex.org/W1868663708","https://openalex.org/W1973910427","https://openalex.org/W1974771477","https://openalex.org/W1991262047","https://openalex.org/W1992115089","https://openalex.org/W1994818048","https://openalex.org/W1997151511","https://openalex.org/W2000509376","https://openalex.org/W2004491238","https://openalex.org/W2004686442","https://openalex.org/W2007231917","https://openalex.org/W2010524654","https://openalex.org/W2020586725","https://openalex.org/W2027040900","https://openalex.org/W2035019674","https://openalex.org/W2051059103","https://openalex.org/W2060013482","https://openalex.org/W2065709622","https://openalex.org/W2072577387","https://openalex.org/W2074966598","https://openalex.org/W2077013507","https://openalex.org/W2078461244","https://openalex.org/W2083715592","https://openalex.org/W2090572943","https://openalex.org/W2091723156","https://openalex.org/W2092803210","https://openalex.org/W2095474273","https://openalex.org/W2105811188","https://openalex.org/W2126348357","https://openalex.org/W2316797334","https://openalex.org/W2318670997","https://openalex.org/W2324288727","https://openalex.org/W2330508218","https://openalex.org/W2331608584","https://openalex.org/W2469557304","https://openalex.org/W2736600108","https://openalex.org/W4236928402","https://openalex.org/W6674557002"],"related_works":["https://openalex.org/W2400337198","https://openalex.org/W2354902965","https://openalex.org/W3156492509","https://openalex.org/W1992022762","https://openalex.org/W19622869","https://openalex.org/W1969218947","https://openalex.org/W2086710427","https://openalex.org/W2318483036","https://openalex.org/W4404811250","https://openalex.org/W2051561012"],"abstract_inverted_index":{"In":[0,78],"the":[1,8,18,26,50,87,92,100,107,119,139,140,149],"present":[2,83],"work,":[3],"we":[4,85,129],"have":[5,104,130],"theoretically":[6],"studied":[7],"one":[9],"and":[10,14,22,45,61,90,136],"two-photon":[11,67,108],"absorption":[12],"(OPA":[13],"TPA)":[15],"probabilities":[16],"of":[17,28,52,70,94,121,134],"native":[19],"D-luciferin":[20,135],"molecule":[21,72],"attempted":[23],"to":[24,80,99],"find":[25],"origin":[27],"its":[29],"larger":[30],"TPA":[31,101],"cross-sections":[32],"in":[33,37,49,144],"polar":[34],"solvents":[35],"than":[36],"non-polar":[38],"ones.":[39],"The":[40],"calculations":[41],"using":[42,57],"state-of-the-art":[43],"linear":[44],"quadratic":[46],"response":[47],"theory":[48,56],"framework":[51],"time-dependent":[53],"density":[54],"functional":[55,60],"hybrid":[58],"B3LYP":[59],"cc-pVDZ":[62],"basis":[63],"set":[64],"suggests":[65],"that":[66,106,138],"transition":[68,109],"probability":[69,110],"this":[71],"increases":[73],"with":[74,124,148],"increasing":[75,125],"solvent":[76,126],"polarity.":[77,127],"order":[79],"explicate":[81],"our":[82],"findings,":[84],"employed":[86],"generalized":[88],"few-state-model":[89],"inspected":[91],"role":[93],"different":[95],"optical":[96],"channels":[97],"related":[98],"process.":[102],"We":[103],"found":[105],"is":[111,143],"always":[112],"guided":[113],"by":[114],"a":[115],"destructive":[116],"interference":[117],"term,":[118],"magnitude":[120],"which":[122],"decreases":[123],"Furthermore,":[128],"evaluated":[131],"OPA":[132],"parameters":[133],"noticed":[137],"excitation":[141],"energy":[142],"very":[145],"good":[146],"agreement":[147],"available":[150],"experimental":[151],"results.":[152]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2024,"cited_by_count":1}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2016-11-30T00:00:00"}
