{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,31]],"date-time":"2026-03-31T18:05:26Z","timestamp":1774980326342,"version":"3.50.1"},"reference-count":52,"publisher":"MDPI AG","issue":"3","license":[{"start":{"date-parts":[[2020,1,21]],"date-time":"2020-01-21T00:00:00Z","timestamp":1579564800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000830","name":"NATO","doi-asserted-by":"publisher","award":["SfP 984842"],"award-info":[{"award-number":["SfP 984842"]}],"id":[{"id":"10.13039\/501100000830","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Sensors"],"abstract":"<jats:p>Highly sensitive multicomponent materials designed for the recognition of hazardous compounds request control over interfacial chemistry. The latter is a key parameter in the construction of the sensing (macro) molecular architectures. In this work, multi-walled carbon nanotubes (CNTs) were deposited on diazonium-modified, flexible indium tin oxide (ITO) electrodes prior to the electropolymerization of pyrrole. This three-step process, including diazonium electroreduction, the deposition of CNTs and electropolymerization, provided adhesively-bonded, polypyrrole-wrapped CNT composite coatings on aminophenyl-modified flexible ITO sheets. The aminophenyl (AP) groups were attached to ITO by electroreduction of the in-situ generated aminobenzenediazonium compound in aqueous, acidic medium. For the first time, polypyrrole (PPy) was electrodeposited in the presence of both benzenesulfonic acid (dopant) and ethylene glycol-bis(2-aminoethylether)-tetraacetic acid (EGTA), which acts as a chelator. The flexible electrodes were characterized by XPS, Raman and scanning electron microscopy (SEM), which provided strong supporting evidence for the wrapping of CNTs by the electrodeposited PPy. Indeed, the CNT average diameter increased from 18 \u00b1 2.6 nm to 27 \u00b1 4.8, 35.6 \u00b1 5.9 and 175 \u00b1 20.1 after 1, 5 and 10 of electropolymerization of pyrrole, respectively. The PPy\/CNT\/NH2-ITO films generated by this strategy exhibit significantly improved stability and higher conductivity compared to a similar PPy coating without any embedded CNTs, as assessed by from electrochemical impedance spectroscopy measurements. The potentiometric response was linear in the 10\u22128\u20133 \u00d7 10\u22127 mol L\u22121 Pb(II) concentration range, and the detection limit was 2.9 \u00d7 10\u22129 mol L\u22121 at S\/N = 3. The EGTA was found to drastically improve selectivity for Pb(II) over Cu(II). To account for this improvement, the density functional theory (DFT) was employed to calculate the EGTA\u2013metal ion interaction energy, which was found to be \u2212374.6 and \u2212116.4 kJ\/mol for Pb(II) and Cu(II), respectively, considering solvation effects. This work demonstrates the power of a subtle combination of diazonium coupling agent, CNTs, chelators and conductive polymers to design high-performance electrochemical sensors for environmental applications.<\/jats:p>","DOI":"10.3390\/s20030580","type":"journal-article","created":{"date-parts":[[2020,1,21]],"date-time":"2020-01-21T11:25:59Z","timestamp":1579605959000},"page":"580","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":40,"title":["Polypyrrole-Wrapped Carbon Nanotube Composite Films Coated on Diazonium-Modified Flexible ITO Sheets for the Electroanalysis of Heavy Metal Ions"],"prefix":"10.3390","volume":"20","author":[{"given":"Momath","family":"Lo","sequence":"first","affiliation":[{"name":"Facult\u00e9 des Sciences, Universit\u00e9 Cheikh Anta Diop, BP 5005 Dakar-Fann, Senegal"},{"name":"Laboratoire G\u00e9omat\u00e9riaux et Environnement, Universit\u00e9 Paris-Est, 5 Bd. Descartes, CEDEX 2, 77454 Marne-la-Vall\u00e9e, France"},{"name":"University Paris Est Creteil, CNRS, ICMPE, UMR7182, F-94320 Thiais, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mahamadou","family":"Seydou","sequence":"additional","affiliation":[{"name":"Universit\u00e9 de Paris, ITODYS, CNRS, UMR 7086, 15 rue J-A de Ba\u00eff, F-75013 Paris, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Asma","family":"Bensgha\u00efer","sequence":"additional","affiliation":[{"name":"University Paris Est Creteil, CNRS, ICMPE, UMR7182, F-94320 Thiais, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"R\u00e9my","family":"Pires","sequence":"additional","affiliation":[{"name":"University Paris Est Creteil, CNRS, ICMPE, UMR7182, F-94320 Thiais, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Diariatou","family":"Gningue-Sall","sequence":"additional","affiliation":[{"name":"Facult\u00e9 des Sciences, Universit\u00e9 Cheikh Anta Diop, BP 5005 Dakar-Fann, Senegal"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jean-Jacques","family":"Aaron","sequence":"additional","affiliation":[{"name":"Laboratoire G\u00e9omat\u00e9riaux et Environnement, Universit\u00e9 Paris-Est, 5 Bd. Descartes, CEDEX 2, 77454 Marne-la-Vall\u00e9e, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zineb","family":"Mekhalif","sequence":"additional","affiliation":[{"name":"Laboratory of Chemistry and Electrochemistry of Surfaces (CES), University of Namur, rue de Bruxelles, 61, B-5000 Namur, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Joseph","family":"Delhalle","sequence":"additional","affiliation":[{"name":"Laboratory of Chemistry and Electrochemistry of Surfaces (CES), University of Namur, rue de Bruxelles, 61, B-5000 Namur, Belgium"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6098-983X","authenticated-orcid":false,"given":"Mohamed M.","family":"Chehimi","sequence":"additional","affiliation":[{"name":"University Paris Est Creteil, CNRS, ICMPE, UMR7182, F-94320 Thiais, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2020,1,21]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"603","DOI":"10.1038\/363603a0","article-title":"Single-shell carbon nanotubes of 1-nm diameter","volume":"364","author":"Iijima","year":"1993","journal-title":"Nature"},{"key":"ref_2","doi-asserted-by":"crossref","unstructured":"Al-Harbi, E.A., Abdelrahman, M.H., and El-Kosasy, A.M. (2019). Ecofriendly Long Life Nanocomposite Sensors for Determination of Carbachol in Presence of Choline: Application in Ophthalmic Solutions and Biological Fluids. Sensors, 19.","DOI":"10.3390\/s19102357"},{"key":"ref_3","doi-asserted-by":"crossref","unstructured":"George, J., Abdelghani, A., Bahoumina, P., Tantot, O., Baillargeat, D., Frigui, K., Bila, S., Hallil, H., and Dejous, C. (2019). CNT-Based Inkjet-Printed RF Gas Sensor: Modification of Substrate Properties during the Fabrication Process. Sensors, 19.","DOI":"10.3390\/s19081768"},{"key":"ref_4","doi-asserted-by":"crossref","unstructured":"Liu, Z., Yang, T., Dong, Y., and Wang, X. (2018). A Room Temperature VOCs Gas Sensor Based on a Layer by Layer Multi-Walled Carbon Nanotubes\/Poly-ethylene Glycol Composite. Sensors, 18.","DOI":"10.3390\/s18093113"},{"key":"ref_5","doi-asserted-by":"crossref","unstructured":"Wang, J., Du, S., Onodera, T., Yatabe, R., Tanaka, M., Okochi, M., and Toko, K. (2018). An SPR Sensor Chip Based on Peptide-Modified Single-Walled Carbon Nanotubes with Enhanced Sensitivity and Selectivity in the Detection of 2,4,6-Trinitrotoluene Explosives. Sensors, 18.","DOI":"10.3390\/s18124461"},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"3732","DOI":"10.1002\/smll.201601143","article-title":"Polypyrrole-Coated Zinc Ferrite Hollow Spheres with Improved Cycling Stability for Lithium-Ion Batteries","volume":"12","author":"Sun","year":"2016","journal-title":"Small"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"2017","DOI":"10.1080\/10426914.2015.1127952","article-title":"Strategies to Optimize the Capacitive Behavior of PolypyrroleElectrodes","volume":"31","author":"Chen","year":"2016","journal-title":"Mater. Manuf. Process."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"1246","DOI":"10.1080\/10426914.2015.1019131","article-title":"Influence of Additives on Performance of Polypyrrole-Carbon Nanotube Supercapacitors","volume":"31","author":"Chen","year":"2016","journal-title":"Mater. Manuf. Processes"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1016\/j.pmatsci.2017.09.004","article-title":"Conductive polymers: Creating their niche in thermoelectric domain","volume":"93","author":"Bharti","year":"2018","journal-title":"Prog. Mater. Sci."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"1976","DOI":"10.1080\/10426914.2016.1151047","article-title":"Solution-based Spin Cast Processed Polypyrrole\/Niobium Pentoxide Nanocomposite as Room Temperature Liquefied Petroleum Gas Sensor","volume":"31","author":"Kotresh","year":"2016","journal-title":"Mater. Manuf. Processes."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"250","DOI":"10.1016\/j.seppur.2015.12.021","article-title":"Magnetic Adsorption Separation (MAS) Process: An Alternative Method of Extracting Cr (VI) from Aqueous Solution using Polypyrrole Coated Fe3O4 Nanocomposites","volume":"158","author":"Muliwa","year":"2016","journal-title":"Sep. Purif. Technol."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1016\/j.jcis.2016.02.054","article-title":"Enhanced Removal of Cr (VI) from Aqueous Solutions using Polypyrrole Wrapped Oxidized MWCNTs Nanocomposites Adsorbent","volume":"470","author":"Bhaumik","year":"2016","journal-title":"J. Colloid Interface Sci."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1039\/a807124a","article-title":"The mechanisms of pyrrole electropolymerization","volume":"29","author":"Sadki","year":"2000","journal-title":"Chem. Soc. Rev."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"1413","DOI":"10.1002\/polb.20809","article-title":"Characterization and electrical properties of polypyrrole\/multiwalled carbon nanotube composites synthesized by in situ chemical oxidative polymerization","volume":"44","author":"Wu","year":"2006","journal-title":"J. Polym. Sci Part B."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"4673","DOI":"10.1039\/c3cc41020j","article-title":"A high-performance hydrogen gas sensor using ultrathin polypyrrole-coated CNT nanohybrids","volume":"49","author":"Park","year":"2013","journal-title":"Chem. Commun."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"5169","DOI":"10.1016\/j.biomaterials.2010.03.022","article-title":"Electrodeposited polypyrrole\/carbon nanotubes composite films electrodes for neural interfaces","volume":"31","author":"Lu","year":"2010","journal-title":"Biomaterials"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"350","DOI":"10.1016\/j.colsurfa.2017.11.007","article-title":"Flexible paper@carbon nanotube@polypyrrole composites: The combined pivotal roles of diazonium chemistry and sonochemical polymerization","volume":"538","author":"Hamouma","year":"2018","journal-title":"Colloids Surf. A"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"1688","DOI":"10.1016\/j.matlet.2006.07.100","article-title":"Radiolytic synthesis of conducting polypyrrole\/carbon nanotube composites","volume":"61","author":"Karim","year":"2007","journal-title":"Mater. Lett."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"10051","DOI":"10.1021\/ja050396k","article-title":"Combining single wall carbon nanotubes and photoactive polymers for photoconversion","volume":"127","author":"Rahman","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"1450","DOI":"10.1039\/b104009j","article-title":"Synthesis of a new polyaniline\/nanotube composite:\u201cin-situ\u201d polymerisation and charge transfer through site-selective interaction","volume":"20","author":"Cochet","year":"2001","journal-title":"Chem. Commun."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"916","DOI":"10.1080\/00986445.2017.1328409","article-title":"Investigation of the Thermal Behavior of Polypyrrole\/Carbon Nanotube Composites and Utilization as Capacitive Material or Support for Catalysts","volume":"204","author":"Naktiyok","year":"2017","journal-title":"Chem. Eng. Commun."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"1864","DOI":"10.1002\/elan.200302755","article-title":"Indicator Free DNA Hybridization Detection by Impedance Measurement Based on the DNA-Doped Conducting Polymer Film Formed on the Carbon Nanotube Modified Electrode","volume":"15","author":"Cai","year":"2003","journal-title":"Electroanalysis"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"687","DOI":"10.1016\/j.ijbiomac.2017.12.038","article-title":"Recent advances in carbon nanotube based electrochemical biosensors","volume":"108","author":"Gupta","year":"2018","journal-title":"Int. J. Biol. Macromol."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"4985","DOI":"10.1039\/C7NJ00609H","article-title":"A nanostructure label-free DNA biosensor for ciprofloxacin analysis as a chemotherapeutic agent: An experimental and theoretical investigation","volume":"41","author":"Cheraghi","year":"2017","journal-title":"New. J. Chem."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"3748","DOI":"10.1039\/C7NJ04130F","article-title":"Polypyrrole with a functionalized multi-walled carbon nanotube hybrid nanocomposite: A new and efficient nitrite sensor","volume":"42","author":"Arulraj","year":"2018","journal-title":"New J. Chem."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"113295","DOI":"10.1016\/j.jelechem.2019.113295","article-title":"Highly sensitive and selective detection of dopamine using overoxidized polypyrrole\/sodium dodecyl sulfate-modified carbon nanotube electrodes","volume":"848","author":"Eom","year":"2019","journal-title":"J. Electroanal. Chem."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.synthmet.2019.04.011","article-title":"Preparation of novel nanocomposite consisting of bismuth particles, polypyrrole and multi-walled carbon nanotubes for simultaneous voltammetric determination of cadmium(II) and lead(II)","volume":"253","author":"Oularbi","year":"2019","journal-title":"Synth.Met."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1016\/j.elecom.2017.02.002","article-title":"The role of diazonium interface chemistry in the design of high performance polypyrrole-coated flexible ITO sensing electrodes","volume":"77","author":"Lo","year":"2017","journal-title":"Electrochem. Commun."},{"key":"ref_29","doi-asserted-by":"crossref","unstructured":"Lo, M., Pires, R., Diaw, K., Gningue-Sall, D., Oturan, M.A., Aaron, J.J., and Chehimi, M.M. (2018). Diazonium salts: Versatile molecular glues for sticking conductive polymers to flexible electrodes. Surfaces, 1.","DOI":"10.20944\/preprints201806.0333.v1"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"1139","DOI":"10.1007\/s003960000372","article-title":"Chemical deposition and characterization of thin polypyrrole films on glass plates: role of organosilane treatment","volume":"278","author":"Perruchot","year":"2000","journal-title":"Colloid Polym. Sci."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"20012","DOI":"10.1007\/s11356-018-2140-x","article-title":"Tracking metal ions with polypyrrole thin films adhesively bonded to diazonium-modified flexible ITO electrodes","volume":"25","author":"Lo","year":"2018","journal-title":"Environ. Sci. Pollut. Res."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1007\/BF00696830","article-title":"Selective removal of heavy metals from contaminated kaolin by chelators","volume":"87","author":"Hong","year":"1996","journal-title":"Water Air Soil Pollut."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"3082","DOI":"10.1016\/j.electacta.2006.09.041","article-title":"Complexation of poly(pyrrole-EDTA like) film modified electrodes: Application to metal cations electroanalysis","volume":"52","author":"Heitzmann","year":"2007","journal-title":"Electrochim. Acta"},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"451","DOI":"10.3389\/fchem.2018.00451","article-title":"Nanocomposite platform based on EDTA modified Ppy\/SWNTs for the sensing of Pb(II) ions by electrochemical method","volume":"6","author":"Deshmukh","year":"2018","journal-title":"Front. Chem."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"9648","DOI":"10.1007\/s10853-017-1100-z","article-title":"Decoration of tricarboxylic and monocarboxylic aryl diazonium functionalized multi-wall carbon nanotubes with iron nanoparticles","volume":"52","author":"Bhakta","year":"2017","journal-title":"J. Mater. Sci."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1016\/j.aca.2011.12.071","article-title":"Electropolymerized surface ion imprinting films on a gold nanoparticles\/single-wall carbon nanotube nanohybrids modified glassy carbon electrode for electrochemical detection of trace mercury(II) in water","volume":"720","author":"Fu","year":"2012","journal-title":"Anal. Chim. Acta."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"1105","DOI":"10.1021\/cr050569o","article-title":"Chemistry of carbon nanotubes","volume":"106","author":"Tasis","year":"2006","journal-title":"Chem. Rev."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1016\/j.cis.2015.07.011","article-title":"Functionalization of nanomaterials with aryldiazonium salts","volume":"225","author":"Mohamed","year":"2015","journal-title":"Adv. Colloid Interface Sci."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"11074","DOI":"10.1021\/la701655w","article-title":"An electrochemical and XPS study of reduction of nitrophenyl films covalently grafted to planar carbon surfaces","volume":"23","author":"Yu","year":"2007","journal-title":"Langmuir"},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"1198","DOI":"10.1002\/sia.4920","article-title":"Polyaniline\/carbon nanotube composite films electrosynthesis through diazonium salts electroreduction and electrochemical polymerization","volume":"44","author":"Pilan","year":"2012","journal-title":"Surf. Interface Anal."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"11254","DOI":"10.1021\/ja00150a024","article-title":"Reactions of Organic Monolayers on Carbon Surfaces Observed with Unenhanced Raman Spectroscopy","volume":"117","author":"Liu","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"58","DOI":"10.1016\/j.synthmet.2015.11.013","article-title":"Influence of polymerization method on the thermoelectric properties of multi-walled carbon nanotubes\/polypyrrole composites","volume":"211","author":"Song","year":"2016","journal-title":"Synt. Met."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"174","DOI":"10.1016\/j.jpowsour.2017.03.128","article-title":"Polypyrrole\/carbon nanotube supercapacitors: Technological advances and challenges","volume":"352","author":"Afzal","year":"2017","journal-title":"J. Power Sources"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"6677","DOI":"10.1021\/acs.langmuir.7b00711","article-title":"Efficient Covalent Modification of Multiwalled Carbon Nanotubes with Diazotized Dyes in Water at Room Temperature","volume":"33","author":"Truong","year":"2017","journal-title":"Langmuir"},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"4924","DOI":"10.1021\/acs.langmuir.7b00494","article-title":"Tailoring the Electrochemical Properties of Carbon Nanotube Modified Indium Tin Oxide via in Situ Grafting of Aryl Diazonium","volume":"33","author":"Hicks","year":"2017","journal-title":"Langmuir"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"303","DOI":"10.1016\/j.apsusc.2004.12.011","article-title":"Surface properties and conductivity of bis (2-ethylhexyl) sulfosuccinate-containing polypyrrole","volume":"249","author":"Boukerma","year":"2005","journal-title":"Appl. Surf. Sci."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1016\/j.colsurfa.2013.04.005","article-title":"Novel, ternary clay\/polypyrrole\/silver hybrid materials through in situ photopolymerization","volume":"439","author":"Jlassi","year":"2013","journal-title":"Colloids Surf. A"},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"384","DOI":"10.1016\/j.snb.2015.04.058","article-title":"A voltammetric sensor based on the glassy carbon electrode modified with multi-walled carbon nanotube\/poly(pyrocatecholviolet)\/bismuth film for determination of cadmium and lead as environmental pollutants","volume":"216","author":"Chamjangali","year":"2015","journal-title":"Sens. Actuators B"},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","article-title":"Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density","volume":"37","author":"Lee","year":"1988","journal-title":"Phys. Rev. B"},{"key":"ref_50","unstructured":"Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Mennucci, B., and Petersson, G.A. (2009). Trucks GW Schlegel HB Scuseria GE Robb MA Cheeseman JR Fox DJ Gaussian 09, Gaussian, Inc."},{"key":"ref_51","first-page":"771","article-title":"\u201cNational Standard Reference Data Series,\u201d National Bureau of Standards, No. 34; Washington, DC, 1970","volume":"3","author":"Moore","year":"1974","journal-title":"Phys. Chem. Ref. Data"},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"3210","DOI":"10.1063\/1.474671","article-title":"A New definition of cavities for the computation of solvation free energies by the polarizable continuum model","volume":"107","author":"Barone","year":"1997","journal-title":"J. Chem. Phys."}],"container-title":["Sensors"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1424-8220\/20\/3\/580\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T13:44:17Z","timestamp":1760363057000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1424-8220\/20\/3\/580"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,1,21]]},"references-count":52,"journal-issue":{"issue":"3","published-online":{"date-parts":[[2020,2]]}},"alternative-id":["s20030580"],"URL":"https:\/\/doi.org\/10.3390\/s20030580","relation":{},"ISSN":["1424-8220"],"issn-type":[{"value":"1424-8220","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,1,21]]}}}