{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,25]],"date-time":"2025-10-25T01:27:59Z","timestamp":1761355679663,"version":"build-2065373602"},"reference-count":51,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2020,7,1]],"date-time":"2020-07-01T00:00:00Z","timestamp":1593561600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2020,7,1]],"date-time":"2020-07-01T00:00:00Z","timestamp":1593561600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"published-print":{"date-parts":[[2020,7]]},"DOI":"10.1016\/j.saa.2020.118280","type":"journal-article","created":{"date-parts":[[2020,3,19]],"date-time":"2020-03-19T03:22:27Z","timestamp":1584588147000},"page":"118280","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":13,"special_numbering":"C","title":["Equilibrium and site selective analysis for DNA threading intercalation of a new phosphine copper(I) complex: Insights from X-ray analysis, spectroscopic and molecular modeling studies"],"prefix":"10.1016","volume":"235","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8046-0175","authenticated-orcid":false,"given":"Nahid","family":"Shahabadi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8538-5007","authenticated-orcid":false,"given":"Farshad","family":"Shiri","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1446-1265","authenticated-orcid":false,"given":"Saba","family":"Hadidi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kaveh","family":"Farshadfar","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Soraya","family":"Sajadimajd","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"S. Mark","family":"Roe","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.saa.2020.118280_bb0005","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1016\/S1367-5931(03)00081-4","article-title":"New metal complexes as potential therapeutics","volume":"7","author":"Zhang","year":"2003","journal-title":"Curr. Opin. Chem. Biol."},{"key":"10.1016\/j.saa.2020.118280_bb0010","doi-asserted-by":"crossref","first-page":"1","DOI":"10.2165\/00003495-200059004-00001","article-title":"Preclinical perspectives on platinum resistance","volume":"59","author":"Kelland","year":"2000","journal-title":"Drugs"},{"year":"1991","series-title":"The Biological Chemistry of the Elements. Clarendon, in, Oxford","author":"Frausto da Silva","key":"10.1016\/j.saa.2020.118280_bb0015"},{"key":"10.1016\/j.saa.2020.118280_bb0020","doi-asserted-by":"crossref","first-page":"364","DOI":"10.1016\/S0162-0134(03)00290-3","article-title":"Synthesis, characterization, DNA binding study and biological activity against Leishmania mexicana of [Cu(dppz)2]BF4","volume":"97","author":"Navarro","year":"2003","journal-title":"J. Inorg. Biochem."},{"key":"10.1016\/j.saa.2020.118280_bb0025","doi-asserted-by":"crossref","first-page":"3781","DOI":"10.1021\/acs.inorgchem.6b02419","article-title":"Copper(I)\u2013phosphine polypyridyl complexes: synthesis, characterization, DNA\/HSA binding study, and antiproliferative activity","volume":"56","author":"Villarreal","year":"2017","journal-title":"Inorg. Chem."},{"key":"10.1016\/j.saa.2020.118280_bb0030","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1016\/j.poly.2018.10.062","article-title":"Synthesis, structures, DNA-binding and anticancer activities of some copper(I)-phosphine complexes","volume":"158","author":"Mashat","year":"2019","journal-title":"Polyhedron"},{"key":"10.1016\/j.saa.2020.118280_bb0035","doi-asserted-by":"crossref","DOI":"10.1016\/j.jinorgbio.2019.110926","article-title":"Copper(I) complexes with phosphines P (p-OCH3-Ph)2CH2OH and P (p-OCH3-Ph)2CH2SarGly. Synthesis, multimodal DNA interactions, and prooxidative and in vitro antiproliferative activity","volume":"203","author":"Komarnicka","year":"2020","journal-title":"J. Inorg. Biochem."},{"key":"10.1016\/j.saa.2020.118280_bb0040","doi-asserted-by":"crossref","first-page":"80804","DOI":"10.1039\/C5RA07483E","article-title":"Coordination versatility of phosphine derivatives of fluoroquinolones. New CuI and CuII complexes and their interactions with DNA","volume":"5","author":"Bykowska","year":"2015","journal-title":"RSC Adv."},{"key":"10.1016\/j.saa.2020.118280_bb0045","series-title":"Nucleic Acid Purity Assessment Using A260\/A280 Ratios, Application Note","first-page":"1","author":"Held","year":"2001"},{"key":"10.1016\/j.saa.2020.118280_bb0050","doi-asserted-by":"crossref","first-page":"7104","DOI":"10.1039\/C6CE01339B","article-title":"Investigation of structure-directing interactions within copper(I) thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","volume":"18","author":"Gholivand","year":"2016","journal-title":"CrystEngComm"},{"key":"10.1016\/j.saa.2020.118280_bb0055","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1016\/j.poly.2016.09.002","article-title":"Synthesis and structural characterization of Pd(II) and Cu(I) complexes containing dithiophosphorus ligand and their catalytic activities for Heck reaction","volume":"119","author":"Gholivand","year":"2016","journal-title":"Polyhedron"},{"key":"10.1016\/j.saa.2020.118280_bb0060","doi-asserted-by":"crossref","first-page":"o431","DOI":"10.1107\/S2056989015010087","article-title":"Crystal structure of (1E, 1\u2032E)-N,N\u2032-(ethane-1,2-diyl)bis[(pyridin-2-yl)methanimine]","volume":"71","author":"Abdoh","year":"2015","journal-title":"Acta Crystallographica Section E: Crystallographic Communications"},{"key":"10.1016\/j.saa.2020.118280_bb0065","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2020.118280_bb0070","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","article-title":"AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2020.118280_bb0075","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1016\/j.jphotochem.2011.04.005","article-title":"Interaction of a ruthenium(II)\u2013chalcone complex with double stranded DNA: spectroscopic, molecular docking and nuclease properties","volume":"220","author":"Gaur","year":"2011","journal-title":"J. Photochem. Photobiol. A Chem."},{"key":"10.1016\/j.saa.2020.118280_bb0080","doi-asserted-by":"crossref","first-page":"9341","DOI":"10.1021\/bi020135c","article-title":"Intercalation of an acridine\u2013peptide drug in an AA\/TT base step in the crystal structure of [d(CGCGAATTCGCG)]2 with six duplexes and seven Mg2+ ions in the asymmetric unit","volume":"41","author":"Malinina","year":"2002","journal-title":"Biochemistry"},{"key":"10.1016\/j.saa.2020.118280_bb0085","doi-asserted-by":"crossref","first-page":"1639","DOI":"10.1002\/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B","article-title":"Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function","volume":"19","author":"Morris","year":"1998","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2020.118280_bb0090","doi-asserted-by":"crossref","first-page":"13171","DOI":"10.1039\/c2cp42025b","article-title":"An improved and broadly accurate local approximation to the exchange\u2013correlation density functional: the MN12-L functional for electronic structure calculations in chemistry and physics","volume":"14","author":"Peverati","year":"2012","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.saa.2020.118280_bb0095","doi-asserted-by":"crossref","first-page":"2155","DOI":"10.1063\/1.462066","article-title":"Density-functional thermochemistry. I. The effect of the exchange-only gradient correction","volume":"96","author":"Becke","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2020.118280_bb0100","doi-asserted-by":"crossref","first-page":"6378","DOI":"10.1021\/jp810292n","article-title":"Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions","volume":"113","author":"Marenich","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.saa.2020.118280_bb0105","doi-asserted-by":"crossref","first-page":"1715","DOI":"10.1016\/j.bmc.2005.10.020","article-title":"Theoretical Study of structure, pKa, lipophilicity, solubility, absorption, and polar surface area of some centrally acting antihypertensives","volume":"14","author":"Remko","year":"2006","journal-title":"Bioorg. Med. Chem."},{"year":"2009","series-title":"Orca, an Ab Initio, DFT and Semiempirical Electronic Structure Package, 3","author":"Neese","key":"10.1016\/j.saa.2020.118280_bb0110"},{"key":"10.1016\/j.saa.2020.118280_bb0115","first-page":"2515","article-title":"Tetrazolium-based assays for cellular viability: a critical examination of selected parameters affecting formazan production","volume":"51","author":"Vistica","year":"1991","journal-title":"Cancer Res."},{"year":"2014","series-title":"Agilent Technologies Ltd, Yarnton, Oxfordshire, England","author":"CrysAlis","key":"10.1016\/j.saa.2020.118280_bb0120"},{"key":"10.1016\/j.saa.2020.118280_bb0125","doi-asserted-by":"crossref","first-page":"C1437","DOI":"10.1107\/S2053273314085623","article-title":"SHELXT: integrating space group determination and structure solution","volume":"70","author":"Sheldrick","year":"2014","journal-title":"Acta Crystallogr., Sect. A: Found. Adv"},{"key":"10.1016\/j.saa.2020.118280_bb0130","first-page":"3","article-title":"Crystal structure refinement with SHELXL","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Crystallographica Section C: Structural Chemistry"},{"key":"10.1016\/j.saa.2020.118280_bb0135","doi-asserted-by":"crossref","first-page":"1281","DOI":"10.1107\/S0021889811043202","article-title":"ShelXle: a Qt graphical user interface for SHELXL","volume":"44","author":"H\u00fcbschle","year":"2011","journal-title":"J. Appl. Crystallogr."},{"key":"10.1016\/j.saa.2020.118280_bb0140","doi-asserted-by":"crossref","first-page":"150","DOI":"10.1016\/j.jinorgbio.2015.07.016","article-title":"Cytotoxicity of Ru(II) piano\u2013stool complexes with chloroquine and chelating ligands against breast and lung tumor cells: interactions with DNA and BSA","volume":"153","author":"Colina-Vegas","year":"2015","journal-title":"J. Inorg. Biochem."},{"key":"10.1016\/j.saa.2020.118280_bb0145","doi-asserted-by":"crossref","first-page":"1369","DOI":"10.2298\/JSC170725104V","article-title":"Density functional theory calculation of lipophilicity for organophosphate type pesticides","volume":"82","author":"Filip","year":"2017","journal-title":"Journal of the Serbian Chemical Society"},{"year":"1996","author":"Martin","key":"10.1016\/j.saa.2020.118280_bb0150"},{"key":"10.1016\/j.saa.2020.118280_bb0155","doi-asserted-by":"crossref","first-page":"1111","DOI":"10.1063\/1.555833","article-title":"Octanol-water partition coefficients of simple organic compounds","volume":"18","author":"Sangster","year":"1989","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"10.1016\/j.saa.2020.118280_bb0160","doi-asserted-by":"crossref","first-page":"4565","DOI":"10.1039\/b710949k","article-title":"Metallo-intercalators and metallo-insertors","author":"Zeglis","year":"2007","journal-title":"Chem. Commun."},{"key":"10.1016\/j.saa.2020.118280_bb0165","first-page":"111","article-title":"Study on the interaction between isatin-\u03b2-thiosemicarbazone and calf thymus DNA by spectroscopic techniques","volume":"14","author":"Pakravan","year":"2015","journal-title":"Iranian journal of Pharmaceutical Research: IJPR"},{"key":"10.1016\/j.saa.2020.118280_bb0170","doi-asserted-by":"crossref","first-page":"819","DOI":"10.1007\/s11224-008-9371-2","article-title":"Synthesis, crystal structure, and DNA-binding studies of a one-dimensional copper(II) polymer bridged both by oxamidate and thiocyanato ligands","volume":"19","author":"Li","year":"2008","journal-title":"Struct. Chem."},{"author":"Galarnyk","key":"10.1016\/j.saa.2020.118280_bb0175"},{"key":"10.1016\/j.saa.2020.118280_bb0180","doi-asserted-by":"crossref","first-page":"589","DOI":"10.1089\/dna.2009.0881","article-title":"In vitro study of DNA interaction with a water-soluble dinitrogen Schiff base","volume":"28","author":"Shahabadi","year":"2009","journal-title":"DNA Cell Biol."},{"key":"10.1016\/j.saa.2020.118280_bb0185","doi-asserted-by":"crossref","first-page":"799","DOI":"10.1016\/j.snb.2007.09.082","article-title":"Study on the interaction mechanism between DNA and the main active components in Scutellaria baicalensis Georgi","volume":"129","author":"Sun","year":"2008","journal-title":"Sensors Actuators B Chem."},{"key":"10.1016\/j.saa.2020.118280_bb0190","doi-asserted-by":"crossref","first-page":"7027","DOI":"10.1016\/S0040-4020(00)00526-3","article-title":"Adenine-thymine base pair recognition by an anthryl probe from the DNA minor groove","volume":"56","author":"Kumar","year":"2000","journal-title":"Tetrahedron"},{"key":"10.1016\/j.saa.2020.118280_bb0195","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1002\/bio.2931","article-title":"Binding studies of the anti-retroviral drug, efavirenz to calf thymus DNA using spectroscopic and voltammetric techniques","volume":"31","author":"Sadeghi","year":"2016","journal-title":"Luminescence"},{"key":"10.1016\/j.saa.2020.118280_bb0200","doi-asserted-by":"crossref","first-page":"428","DOI":"10.1080\/15257770.2018.1562071","article-title":"DNA binding studies of antibiotic drug cephalexin using spectroscopic and molecular docking techniques","volume":"38","author":"Shahabadi","year":"2019","journal-title":"Nucleosides Nucleotides Nucleic Acids"},{"key":"10.1016\/j.saa.2020.118280_bb0205","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1016\/j.saa.2017.01.063","article-title":"Analysis of the binding interaction in uric acid-human hemoglobin system by spectroscopic techniques","volume":"178","author":"Makarska-Bialokoz","year":"2017","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2020.118280_bb0210","doi-asserted-by":"crossref","first-page":"278","DOI":"10.1016\/j.saa.2012.05.045","article-title":"Spectroscopic studies on the interaction of calf thymus DNA with the drug levetiracetam","volume":"96","author":"Shahabadi","year":"2012","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2020.118280_bb0215","doi-asserted-by":"crossref","first-page":"100","DOI":"10.1016\/j.saa.2013.11.016","article-title":"Molecular modeling and spectroscopic studies on the interaction of the chiral drug venlafaxine hydrochloride with bovine serum albumin","volume":"122","author":"Shahabadi","year":"2014","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2020.118280_bb0220","doi-asserted-by":"crossref","first-page":"3096","DOI":"10.1021\/bi00514a017","article-title":"Thermodynamics of protein association reactions: forces contributing to stability","volume":"20","author":"Ross","year":"1981","journal-title":"Biochemistry"},{"key":"10.1016\/j.saa.2020.118280_bb0225","doi-asserted-by":"crossref","first-page":"1283","DOI":"10.1039\/C7MD00094D","article-title":"Interaction of indomethacin with calf thymus DNA: a multi-spectroscopic, thermodynamic and molecular modelling approach","volume":"8","author":"Husain","year":"2017","journal-title":"Med. Chem. Commun."},{"key":"10.1016\/j.saa.2020.118280_bb0230","doi-asserted-by":"crossref","first-page":"527","DOI":"10.1038\/emm.2003.68","article-title":"The binding of ethidium bromide with DNA: interaction with single-and double-stranded structures","volume":"35","author":"Vardevanyan","year":"2003","journal-title":"Exp. Mol. Med."},{"key":"10.1016\/j.saa.2020.118280_bb0235","doi-asserted-by":"crossref","first-page":"721","DOI":"10.1111\/j.1432-1033.1994.tb18917.x","article-title":"Three-dimensional crystal structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor-groove-binding drug Hoechst33258","volume":"222","author":"Vega","year":"1994","journal-title":"Eur. J. Biochem."},{"key":"10.1016\/j.saa.2020.118280_bb0240","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1016\/j.saa.2019.04.059","article-title":"Studies on the interaction of antibiotic drug rifampin with DNA and influence of bivalent metal ions on binding affinity","volume":"219","author":"Shahabadi","year":"2019","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2020.118280_bb0245","doi-asserted-by":"crossref","first-page":"595","DOI":"10.1007\/s10812-013-9811-7","article-title":"Mechanisms for binding between methylene blue and DNA","volume":"80","author":"Vardevanyan","year":"2013","journal-title":"J. Appl. Spectrosc."},{"key":"10.1016\/j.saa.2020.118280_bb0250","doi-asserted-by":"crossref","first-page":"528","DOI":"10.1016\/j.saa.2010.06.032","article-title":"Spectroscopic studies on the thermodynamic and thermal denaturation of the ct-DNA binding of methylene blue","volume":"77","author":"Wahyuni","year":"2010","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2020.118280_bb0255","doi-asserted-by":"crossref","first-page":"14768","DOI":"10.1021\/jp2062767","article-title":"Stereoselectivity for DNA threading intercalation of short binuclear ruthenium complexes","volume":"115","author":"Andersson","year":"2011","journal-title":"J. Phys. Chem. B"}],"container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142520302584?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142520302584?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,25]],"date-time":"2025-10-25T01:23:07Z","timestamp":1761355387000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386142520302584"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,7]]},"references-count":51,"alternative-id":["S1386142520302584"],"URL":"https:\/\/doi.org\/10.1016\/j.saa.2020.118280","relation":{},"ISSN":["1386-1425"],"issn-type":[{"type":"print","value":"1386-1425"}],"subject":[],"published":{"date-parts":[[2020,7]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Equilibrium and site selective analysis for DNA threading intercalation of a new phosphine copper(I) complex: Insights from X-ray analysis, spectroscopic and molecular modeling studies","name":"articletitle","label":"Article Title"},{"value":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.saa.2020.118280","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2020 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"118280"}}