{"id":"https://openalex.org/W2000712874","doi":"https://doi.org/10.1021/jp063684r","title":"Thermodynamic Studies of Molecular Interactions in Aqueous \u03b1-Cyclodextrin Solutions: Application of McMillan\u2212Mayer and Kirkwood\u2212Buff Theories","display_name":"Thermodynamic Studies of Molecular Interactions in Aqueous \u03b1-Cyclodextrin Solutions: Application of McMillan\u2212Mayer and Kirkwood\u2212Buff Theories","publication_year":2006,"publication_date":"2006-09-01","ids":{"openalex":"https://openalex.org/W2000712874","doi":"https://doi.org/10.1021/jp063684r","mag":"2000712874","pmid":"https://pubmed.ncbi.nlm.nih.gov/16970487"},"language":"en","primary_location":{"id":"doi:10.1021/jp063684r","doi":"https://doi.org/10.1021/jp063684r","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp063684r","pdf_url":null,"source":{"id":"https://openalex.org/S185621672","display_name":"The Journal of Physical Chemistry B","issn_l":"1520-5207","issn":["1520-5207","1520-6106"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry B","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5002662602","display_name":"Santosh S. Terdale","orcid":"https://orcid.org/0000-0002-9321-9735","observed_orcids":["https://orcid.org/0000-0002-9321-9735"]},"institutions":[{"id":"https://openalex.org/I141641110","display_name":"Shivaji University","ror":"https://ror.org/01bsn4x02","country_code":"IN","type":"education","lineage":["https://openalex.org/I141641110"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Santosh S. Terdale","raw_affiliation_strings":["Department of Chemistry, Shivaji University, Kolhapur - 416 004, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Shivaji University, Kolhapur - 416 004, India","institution_ids":["https://openalex.org/I141641110"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028234863","display_name":"Dilip H. Dagade","orcid":"https://orcid.org/0000-0003-2517-5360","observed_orcids":["https://orcid.org/0000-0003-2517-5360"]},"institutions":[{"id":"https://openalex.org/I141641110","display_name":"Shivaji University","ror":"https://ror.org/01bsn4x02","country_code":"IN","type":"education","lineage":["https://openalex.org/I141641110"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Dilip H. Dagade","raw_affiliation_strings":["Department of Chemistry, Shivaji University, Kolhapur - 416 004, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Shivaji University, Kolhapur - 416 004, India","institution_ids":["https://openalex.org/I141641110"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5053758409","display_name":"Kesharsingh J. Patil","orcid":"https://orcid.org/0000-0002-9927-3345","observed_orcids":["https://orcid.org/0000-0002-9927-3345"]},"institutions":[{"id":"https://openalex.org/I141641110","display_name":"Shivaji University","ror":"https://ror.org/01bsn4x02","country_code":"IN","type":"education","lineage":["https://openalex.org/I141641110"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Kesharsingh J. Patil","raw_affiliation_strings":["Department of Chemistry, Shivaji University, Kolhapur - 416 004, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Shivaji University, Kolhapur - 416 004, India","institution_ids":["https://openalex.org/I141641110"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5053758409"],"corresponding_institution_ids":["https://openalex.org/I141641110"],"apc_list":null,"apc_paid":null,"fwci":2.4607,"has_fulltext":false,"cited_by_count":38,"citation_normalized_percentile":{"value":0.87034257,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":98},"biblio":{"volume":"110","issue":"37","first_page":"18583","last_page":"18593"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10962","display_name":"Thermodynamic properties of mixtures","score":0.8393999934196472,"subfield":{"id":"https://openalex.org/subfields/1507","display_name":"Fluid Flow and Transfer Processes"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10962","display_name":"Thermodynamic properties of mixtures","score":0.8393999934196472,"subfield":{"id":"https://openalex.org/subfields/1507","display_name":"Fluid Flow and Transfer Processes"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.08370000123977661,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T13675","display_name":"Diffusion Coefficients in Liquids","score":0.014999999664723873,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/alpha-cyclodextrin","display_name":"\u03b1-cyclodextrin","score":0.9810000061988831},{"id":"https://openalex.org/keywords/osmotic-coefficients","display_name":"osmotic coefficients","score":0.7979999780654907},{"id":"https://openalex.org/keywords/activity-coefficients","display_name":"activity coefficients","score":0.8169999718666077},{"id":"https://openalex.org/keywords/excess-gibbs-energy","display_name":"excess Gibbs energy","score":0.9570000171661377},{"id":"https://openalex.org/keywords/heat-of-mixing","display_name":"excess enthalpy","score":0.8669999837875366},{"id":"https://openalex.org/keywords/excess-entropy","display_name":"excess entropy","score":0.8759999871253967},{"id":"https://openalex.org/keywords/partial-molar-entropy","display_name":"partial molar entropy","score":0.8659999966621399},{"id":"https://openalex.org/keywords/partial-molar-volume","display_name":"partial molar volume","score":0.9769999980926514},{"id":"https://openalex.org/keywords/solute-solvent-interactions","display_name":"solute-solvent interactions","score":0.8880000114440918},{"id":"https://openalex.org/keywords/osmotic-virial-coefficients","display_name":"osmotic virial coefficients","score":0.9100000262260437},{"id":"https://openalex.org/keywords/kirkwood-buff-integrals","display_name":"Kirkwood-Buff integrals","score":0.8579999804496765},{"id":"https://openalex.org/keywords/mcmillan-mayer-theory","display_name":"McMillan-Mayer theory","score":0.8669999837875366},{"id":"https://openalex.org/keywords/molecular-interactions-in-solution","display_name":"molecular interactions in solution","score":0.4869999885559082}],"concepts":[{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.6763635873794556},{"id":"https://openalex.org/C2779433975","wikidata":"https://www.wikidata.org/wiki/Q40417805","display_name":"Cyclodextrin","level":2,"score":0.6289319396018982},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.5559144020080566},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.47868114709854126},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3508467674255371},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2938467860221863},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.13264688849449158}],"mesh":[{"descriptor_ui":"D002627","descriptor_name":"Chemistry, Physical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D006358","descriptor_name":"Hot Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009995","descriptor_name":"Osmosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019277","descriptor_name":"Entropy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D047391","descriptor_name":"alpha-Cyclodextrins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/jp063684r","doi":"https://doi.org/10.1021/jp063684r","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp063684r","pdf_url":null,"source":{"id":"https://openalex.org/S185621672","display_name":"The Journal of Physical Chemistry B","issn_l":"1520-5207","issn":["1520-5207","1520-6106"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry B","raw_type":"journal-article"},{"id":"pmid:16970487","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16970487","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":"The journal of physical chemistry. B","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":36,"referenced_works":["https://openalex.org/W1965819763","https://openalex.org/W1972713762","https://openalex.org/W1973316236","https://openalex.org/W1974045907","https://openalex.org/W1975367571","https://openalex.org/W1975808707","https://openalex.org/W1983031135","https://openalex.org/W1983556810","https://openalex.org/W1992971278","https://openalex.org/W1993643459","https://openalex.org/W1998083552","https://openalex.org/W2009776197","https://openalex.org/W2013457662","https://openalex.org/W2019172685","https://openalex.org/W2024822983","https://openalex.org/W2025401401","https://openalex.org/W2029205115","https://openalex.org/W2039104539","https://openalex.org/W2041593239","https://openalex.org/W2042358580","https://openalex.org/W2044213760","https://openalex.org/W2046102786","https://openalex.org/W2062460799","https://openalex.org/W2079963456","https://openalex.org/W2090698628","https://openalex.org/W2092084822","https://openalex.org/W2093806300","https://openalex.org/W2110785282","https://openalex.org/W2140819993","https://openalex.org/W2153236895","https://openalex.org/W2162811712","https://openalex.org/W2326667770","https://openalex.org/W4233847460","https://openalex.org/W4243272038","https://openalex.org/W4244661828","https://openalex.org/W4301456439"],"related_works":["https://openalex.org/W2484022588","https://openalex.org/W2009776197","https://openalex.org/W2009921193","https://openalex.org/W2059649749","https://openalex.org/W2027703351","https://openalex.org/W2007901818","https://openalex.org/W2077173362","https://openalex.org/W1989086265","https://openalex.org/W2027446806","https://openalex.org/W2089573370"],"abstract_inverted_index":{"Osmotic":[0],"vapor":[1],"pressure":[2],"and":[3,19,35,68,82,90,131,140,148,155,188],"density":[4],"measurements":[5],"were":[6,27,61,85,110,136],"made":[7,126],"for":[8,72],"aqueous":[9],"alpha-cyclodextrin":[10,84],"(alpha-CD)":[11],"solutions":[12,124],"in":[13,58],"the":[14,31,36,44,53,59,65,73,98,106,168,180,224],"temperature":[15],"range":[16],"between":[17,223],"293.15":[18],"313.15":[20],"K.":[21,160],"The":[22,76,118,146,161,193],"experimental":[23,181],"osmotic":[24,129,150,182,208],"coefficient":[25,183],"data":[26,46,102],"used":[28],"to":[29,63,127,143],"determine":[30],"corresponding":[32],"activity":[33,45,186],"coefficients":[34,134,152],"excess":[37,66,69],"Gibbs":[38],"free":[39],"energy":[40],"of":[41,55,80,83,95,120,123,196,216],"solutions.":[42,217],"Further,":[43],"obtained":[47,212],"at":[48,87,92,103,158],"different":[49,88,93],"temperatures":[50,89],"along":[51],"with":[52,202],"enthalpies":[54],"dissolution":[56],"(reported":[57],"literature)":[60],"processed":[62],"obtain":[64,128],"enthalpy":[67],"entropy":[70],"values":[71,195],"solution":[74],"process.":[75],"partial":[77,99,189],"molar":[78,100,190],"entropies":[79],"water":[81],"calculated":[86],"also":[91],"concentrations":[94],"alpha-CD.":[96],"Using":[97],"volume":[101,191],"infinite":[104],"dilution,":[105],"solute-solvent":[107,116],"cluster":[108],"integrals":[109,164],"evaluated":[111,178],"which":[112,135],"yielded":[113],"information":[114],"about":[115],"interactions.":[117,145],"application":[119],"McMillan-Mayer":[121,214],"theory":[122,215],"was":[125],"second":[130,147,209],"third":[132,149],"virial":[133,151,210],"decomposed":[137],"into":[138],"attractive":[139],"repulsive":[141],"contributions":[142],"solute-solute":[144],"are":[153,200],"positive":[154],"show":[156],"minimum":[157],"303.15":[159],"Kirkwood-Buff":[162],"(KB)":[163],"G(ij),":[165],"defined":[166],"by":[167],"equation":[169],"G(ij)":[170],"=":[171],"f(infinity)0":[172],"(g(ij)-":[173],"1)4pir(2)":[174],"dr,":[175],"have":[176],"been":[177],"using":[179,213],"(and":[184],"hence":[185],"coefficient)":[187,211],"data.":[192],"limiting":[194],"KB":[197],"integrals,":[198],"G(ij)(0)":[199],"compared":[201],"molecular":[203],"interaction":[204],"parameters":[205],"(solute-solute":[206],"i.e.,":[207],"We":[218],"found":[219],"an":[220],"excellent":[221],"agreement":[222],"two":[225],"approaches.":[226]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":4},{"year":2013,"cited_by_count":5},{"year":2012,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}