{"id":"https://openalex.org/W2091508302","doi":"https://doi.org/10.1021/jp056897+","title":"The Role of Water Coordination in Binary Mixtures. A Study of Two Model Amphiphilic Molecules in Aqueous Solutions by Molecular Dynamics and NMR","display_name":"The Role of Water Coordination in Binary Mixtures. A Study of Two Model Amphiphilic Molecules in Aqueous Solutions by Molecular Dynamics and NMR","publication_year":2006,"publication_date":"2006-04-11","ids":{"openalex":"https://openalex.org/W2091508302","doi":"https://doi.org/10.1021/jp056897+","mag":"2091508302","pmid":"https://pubmed.ncbi.nlm.nih.gov/16640449"},"language":"en","primary_location":{"id":"doi:10.1021/jp056897+","doi":"https://doi.org/10.1021/jp056897+","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp056897+","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","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/A5026342704","display_name":"Raffaele Sinibaldi","orcid":"https://orcid.org/0000-0002-2137-2351","observed_orcids":["https://orcid.org/0000-0002-2137-2351"]},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]},{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]},{"id":"https://openalex.org/I4210115633","display_name":"Istituto di Metodologie Chimiche","ror":"https://ror.org/0263zy895","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210115633","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"R. Sinibaldi","raw_affiliation_strings":["SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,","institution_ids":["https://openalex.org/I26415053","https://openalex.org/I27483092","https://openalex.org/I4210115633","https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039193552","display_name":"Cinzia Casieri","orcid":"https://orcid.org/0000-0002-5633-8460","observed_orcids":["https://orcid.org/0000-0002-5633-8460"]},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]},{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]},{"id":"https://openalex.org/I4210115633","display_name":"Istituto di Metodologie Chimiche","ror":"https://ror.org/0263zy895","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210115633","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"C. Casieri","raw_affiliation_strings":["SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,","institution_ids":["https://openalex.org/I26415053","https://openalex.org/I27483092","https://openalex.org/I4210115633","https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019106665","display_name":"Simone Melchionna","orcid":"https://orcid.org/0000-0002-9532-554X","observed_orcids":["https://orcid.org/0000-0002-9532-554X"]},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]},{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]},{"id":"https://openalex.org/I4210115633","display_name":"Istituto di Metodologie Chimiche","ror":"https://ror.org/0263zy895","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210115633","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"S. Melchionna","raw_affiliation_strings":["SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,","institution_ids":["https://openalex.org/I26415053","https://openalex.org/I27483092","https://openalex.org/I4210115633","https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063729096","display_name":"Giuseppe Onori","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]},{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]},{"id":"https://openalex.org/I4210115633","display_name":"Istituto di Metodologie Chimiche","ror":"https://ror.org/0263zy895","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210115633","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"G. Onori","raw_affiliation_strings":["SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,","institution_ids":["https://openalex.org/I26415053","https://openalex.org/I27483092","https://openalex.org/I4210115633","https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060914573","display_name":"Anna Laura Segre","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]},{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]},{"id":"https://openalex.org/I4210115633","display_name":"Istituto di Metodologie Chimiche","ror":"https://ror.org/0263zy895","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210115633","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"A. L. Segre","raw_affiliation_strings":["SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,","institution_ids":["https://openalex.org/I26415053","https://openalex.org/I27483092","https://openalex.org/I4210115633","https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048571249","display_name":"St\u00e9phane Viel","orcid":"https://orcid.org/0000-0003-3338-0559","observed_orcids":["https://orcid.org/0000-0003-3338-0559"]},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]},{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]},{"id":"https://openalex.org/I4210115633","display_name":"Istituto di Metodologie Chimiche","ror":"https://ror.org/0263zy895","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210115633","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"S. Viel","raw_affiliation_strings":["SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,","institution_ids":["https://openalex.org/I26415053","https://openalex.org/I27483092","https://openalex.org/I4210115633","https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020160902","display_name":"Luisa Mannina","orcid":"https://orcid.org/0000-0001-8659-5890","observed_orcids":["https://orcid.org/0000-0001-8659-5890"]},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]},{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]},{"id":"https://openalex.org/I4210115633","display_name":"Istituto di Metodologie Chimiche","ror":"https://ror.org/0263zy895","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210115633","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"L. Mannina","raw_affiliation_strings":["SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,","institution_ids":["https://openalex.org/I26415053","https://openalex.org/I27483092","https://openalex.org/I4210115633","https://openalex.org/I861853513"]}]},{"author_position":"last","author":{"id":null,"display_name":"F. De Luca","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]},{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]},{"id":"https://openalex.org/I4210115633","display_name":"Istituto di Metodologie Chimiche","ror":"https://ror.org/0263zy895","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210115633","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"F. De Luca","raw_affiliation_strings":["SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 La Sapienza, I-00185 Roma, Italy, SOFT-INFM-CNR Research Center and Dipartimento di Fisica, Universit\u00e0 dell\u2019Aquila, I-67010 L\u2019Aquila, Italy, SOFT-INFM-CNR and Dipartimento di Fisica, Universit\u00e0 di Perugia, CEMIN (Centro di Eccellenza Materiali Innovativi Nanostrutturati) I-06100 Perugia, Italy, Istituto di Metodologie Chimiche, CNR Area della Ricerca di Roma, I-00016 Monterotondo Stazione (Rome), Italy, and Dipartimento di S.T.A.A.M.,","institution_ids":["https://openalex.org/I26415053","https://openalex.org/I27483092","https://openalex.org/I4210115633","https://openalex.org/I861853513"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I26415053","https://openalex.org/I27483092","https://openalex.org/I4210115633","https://openalex.org/I861853513"],"apc_list":null,"apc_paid":null,"fwci":1.5005,"has_fulltext":false,"cited_by_count":64,"citation_normalized_percentile":{"value":0.81676217,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"110","issue":"17","first_page":"8885","last_page":"8892"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.4966000020503998,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.4966000020503998,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10962","display_name":"Thermodynamic properties of mixtures","score":0.1599999964237213,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.09539999812841415,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/water-coordination","display_name":"water coordination","score":0.7870000004768372},{"id":"https://openalex.org/keywords/aqueous-binary-mixtures","display_name":"aqueous binary mixtures","score":0.8619999885559082},{"id":"https://openalex.org/keywords/amphiphilic-molecules","display_name":"amphiphilic molecules","score":0.9679999947547913},{"id":"https://openalex.org/keywords/trimethylamine-n-oxide","display_name":"trimethylamine N-oxide","score":0.9459999799728394},{"id":"https://openalex.org/keywords/tert-butyl-alcohol","display_name":"tert-butanol","score":0.9929999709129333},{"id":"https://openalex.org/keywords/hydration-shell","display_name":"hydration shell","score":0.6449999809265137},{"id":"https://openalex.org/keywords/hydrophobic-hydration","display_name":"hydrophobic hydration","score":0.8970000147819519},{"id":"https://openalex.org/keywords/self-diffusion","display_name":"self-diffusion","score":0.9419999718666077},{"id":"https://openalex.org/keywords/osmolytes","display_name":"osmolytes","score":0.8029999732971191},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"molecular dynamics","score":0.39399999380111694},{"id":"https://openalex.org/keywords/nmr-chemical-shifts","display_name":"NMR chemical shifts","score":0.9470000267028809}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7933967113494873},{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.6838932633399963},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6532219648361206},{"id":"https://openalex.org/C67407626","wikidata":"https://www.wikidata.org/wiki/Q5723218","display_name":"Amphiphile","level":4,"score":0.6141262054443359},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5895838737487793},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.5892118811607361},{"id":"https://openalex.org/C2780924926","wikidata":"https://www.wikidata.org/wiki/Q419802","display_name":"Trimethylamine N-oxide","level":3,"score":0.5525429844856262},{"id":"https://openalex.org/C149823470","wikidata":"https://www.wikidata.org/wiki/Q1088326","display_name":"Solvation shell","level":4,"score":0.5259045362472534},{"id":"https://openalex.org/C36591836","wikidata":"https://www.wikidata.org/wiki/Q125264","display_name":"Mole fraction","level":2,"score":0.4612288773059845},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.44976550340652466},{"id":"https://openalex.org/C103319777","wikidata":"https://www.wikidata.org/wiki/Q1979695","display_name":"Proton NMR","level":2,"score":0.43135517835617065},{"id":"https://openalex.org/C90260826","wikidata":"https://www.wikidata.org/wiki/Q899157","display_name":"Hydrophobic effect","level":2,"score":0.4173037111759186},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.34461143612861633},{"id":"https://openalex.org/C148093993","wikidata":"https://www.wikidata.org/wiki/Q739398","display_name":"Solvation","level":3,"score":0.3229476809501648},{"id":"https://openalex.org/C2776149385","wikidata":"https://www.wikidata.org/wiki/Q423953","display_name":"Trimethylamine","level":2,"score":0.3204893469810486},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.30367231369018555},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.27315253019332886},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2563215494155884},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.07637012004852295},{"id":"https://openalex.org/C15920480","wikidata":"https://www.wikidata.org/wiki/Q421281","display_name":"Copolymer","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008744","descriptor_name":"Methylamines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000592","qualifier_name":"standards","is_major_topic":false},{"descriptor_ui":"D012015","descriptor_name":"Reference Standards","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012680","descriptor_name":"Sensitivity and Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013501","descriptor_name":"Surface-Active Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020002","descriptor_name":"tert-Butyl Alcohol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/jp056897+","doi":"https://doi.org/10.1021/jp056897+","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp056897+","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:16640449","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16640449","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"},{"id":"pmh:oai:iris.uniroma1.it:11573/47134","doi":null,"is_oa":false,"landing_page_url":"http://www.scopus.com/inward/record.url?eid=2-s2.0-33744501033&partnerID=65&md5=78ce150d2afaf30a8505945957b76dea","pdf_url":null,"source":{"id":"https://openalex.org/S4377196107","display_name":"IRIS Research product catalog (Sapienza University of Rome)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":40,"referenced_works":["https://openalex.org/W1641730673","https://openalex.org/W1828678689","https://openalex.org/W1972602622","https://openalex.org/W1974306415","https://openalex.org/W1975353473","https://openalex.org/W1975900690","https://openalex.org/W1976499671","https://openalex.org/W1980752153","https://openalex.org/W1982534182","https://openalex.org/W1984299567","https://openalex.org/W1986115510","https://openalex.org/W1997630751","https://openalex.org/W1999768303","https://openalex.org/W2003003096","https://openalex.org/W2010597797","https://openalex.org/W2013979082","https://openalex.org/W2015869942","https://openalex.org/W2020698432","https://openalex.org/W2028477516","https://openalex.org/W2033924510","https://openalex.org/W2041638382","https://openalex.org/W2041902442","https://openalex.org/W2048967679","https://openalex.org/W2051977718","https://openalex.org/W2061423823","https://openalex.org/W2075203110","https://openalex.org/W2077750729","https://openalex.org/W2078913419","https://openalex.org/W2079211969","https://openalex.org/W2082018233","https://openalex.org/W2082455431","https://openalex.org/W2084761689","https://openalex.org/W2085396102","https://openalex.org/W2087579391","https://openalex.org/W2094788158","https://openalex.org/W2101697367","https://openalex.org/W2106140689","https://openalex.org/W2168369053","https://openalex.org/W2171646758","https://openalex.org/W4234347480"],"related_works":["https://openalex.org/W2171646758","https://openalex.org/W2886570616","https://openalex.org/W1985468468","https://openalex.org/W2345674637","https://openalex.org/W2048516368","https://openalex.org/W2168369053","https://openalex.org/W2082455431","https://openalex.org/W1828678689","https://openalex.org/W1975900690","https://openalex.org/W2794787426"],"abstract_inverted_index":{"Two":[0],"binary":[1],"aqueous":[2],"mixtures":[3],"which":[4,73],"contain":[5],"the":[6,65,70,80,116,119,123,128,146,158,170],"small":[7],"amphiphilic":[8],"molecules":[9,62],"TMAO":[10,30,51,167],"(trimethylamine-N-oxide)":[11],"and":[12,23,27,45,52,67,85,95,102,138,143,176],"TBA":[13,35,126],"(tert-butyl":[14],"alcohol)":[15],"have":[16,134],"been":[17],"investigated":[18],"by":[19],"molecular":[20],"dynamics":[21,68],"simulations":[22],"NMR":[24,100],"chemical":[25],"shift":[26],"self-diffusion":[28],"measurements.":[29],"is":[31,36,74,131,173],"an":[32],"osmolyte,":[33],"while":[34],"a":[37,135,139,182],"monohydrate":[38],"alcohol.":[39],"Both":[40],"possess":[41],"bulky":[42],"hydrophobic":[43,153],"groups":[44],"polar":[46],"heads,":[47],"namely,":[48],"NO":[49],"in":[50,54,166],"OH":[53],"TBA.":[55],"The":[56,112],"hydrophilic/hydrophobic":[57],"content":[58],"of":[59,69,118,122,149,152,157,185],"these":[60],"isosteric":[61],"strongly":[63],"modulates":[64],"structure":[66,180],"hydration":[71,129,154,171],"shell,":[72],"thought":[75],"to":[76,133],"be":[77],"responsible":[78],"for":[79],"effects":[81],"observed":[82],"on":[83,90,109],"proteins":[84],"phospholipids.":[86],"Simulation":[87],"results,":[88],"especially":[89],"hydrogen-bond":[91],"networking,":[92],"spatial":[93,141],"correlations,":[94],"self-diffusivity,":[96],"are":[97],"consistent":[98],"with":[99,105],"data":[101],"agree":[103],"well":[104],"previous":[106],"numerical":[107],"studies":[108],"similar":[110],"solutions.":[111,124],"methods":[113],"employed":[114],"allow":[115],"elucidation":[117],"microscopic":[120],"features":[121],"For":[125],"solutions,":[127,168],"shell":[130,172],"found":[132],"low":[136],"density":[137],"large":[140],"spread,":[142],"thus,":[144],"above":[145],"molar":[147],"fraction":[148],"0.03,":[150],"reduction":[151],"drives":[155],"self-aggregation":[156],"solute.":[159],"This":[160],"effect":[161],"does":[162],"not":[163],"take":[164],"place":[165],"where":[169],"more":[174],"compact":[175],"stable,":[177],"maintaining":[178],"its":[179],"over":[181],"wider":[183],"range":[184],"solute":[186],"concentrations.":[187]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":9},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":4}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
