{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T12:14:52Z","timestamp":1789992892159,"version":"4.0.1"},"reference-count":54,"publisher":"American Chemical Society (ACS)","issue":"35","license":[{"start":{"date-parts":[[2020,8,24]],"date-time":"2020-08-24T00:00:00Z","timestamp":1598227200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/pubs.acs.org\/page\/policy\/authorchoice_termsofuse.html"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020,9,8]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Ab initio calculations were carried out to understand the reactivity and stability of some uracil derivatives, cytosine, 1-methyl cytosine, and cytidine in solvents, water, dimethyl sulfoxide (DMSO), n-octanol, and chloroform. Geometries were fully optimized at MP2 and B3LYP using the 6-31+G(d,p) basis set by applying the Solvation Model on Density (SMD) in solvent systems. The syn conformer of cytidine (cytidine II) is the most stable conformer in the gas phase, while the anticonformer (cytidine IV) is most stable in all of the solvents. Solvation free energy and polarizability values in different solvents decrease in the order water &amp;gt; DMSO &amp;gt; n-octanol &amp;gt; chloroform, while dipole moment, first-order hyperpolarizability, and HOMO\u2013LUMO energy gap values follow the order of polar protic solvent (water and n-octanol) &amp;gt; polar aprotic solvent (DMSO) &amp;gt; nonpolar solvent (chloroform). The solvation free energy, dipole moment, polarizability, and first-order hyperpolarizability values also follow the order of cytosine &amp;gt; 1-methyl cytosine &amp;gt; cytidine. To illustrate that the molecular properties correlate well with the reactivity of the molecules, ab initio calculations were carried out for the reaction of uracil derivatives with Br2 in the gas phase, water, DMSO, n-octanol, and chloroform. All ground and transition state geometries were fully optimized at B3LYP\/6-31+G(d,p), and energies were also calculated at G3MP2 for cytosine and 1-methyl cytosine. For cytosine and 1-methyl cytosine, Gibbs energies of activation decrease with the polarity of the solvent that is chloroform &amp;gt; n-octanol &amp;gt; DMSO &amp;gt; water, while the Gibbs energies of activation for the reaction with cytidine decrease in the order of water &amp;gt; DMSO &amp;gt; n-octanol &amp;gt; chloroform. These results suggest that solvent polarity is very important for the stability and reactivity of uracil derivatives. Hydrogen bonding may also play an important role mainly for cytidine. Free energies of activation decrease with the size of the molecule, i.e., cytosine &amp;gt; 1-methyl cytosine &amp;gt; cytidine.<\/jats:p>","DOI":"10.1021\/acsomega.0c02943","type":"journal-article","created":{"date-parts":[[2020,8,24]],"date-time":"2020-08-24T19:38:57Z","timestamp":1598297937000},"page":"22449-22458","source":"Crossref","is-referenced-by-count":2,"title":["New Insights into the Structure and Reactivity of\nUracil Derivatives in Different Solvents\u2500A Computational Study"],"prefix":"10.1021","volume":"5","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5769-6844","authenticated-orcid":true,"given":"Shahidul M.","family":"Islam","sequence":"first","affiliation":[{"name":"University of Illinois at Chicago , , , ,","place":["Chicago, Illinois, United States, 60607"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zahin","family":"Ibnat","sequence":"additional","affiliation":[{"name":"University of Illinois at Chicago , , , ,","place":["Chicago, Illinois, United States, 60607"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2020,8,24]]},"reference":[{"key":"2026092106072633900_cit1","doi-asserted-by":"publisher","first-page":"1371","DOI":"10.1093\/oxfordjournals.molbev.a026420","article-title":"Cytosine deamination\nplays a primary role in the evolution\nof mammalian isochores","volume":"17","author":"Fryxell","year":"2000","journal-title":"Mol. Biol. Evol."},{"key":"2026092106072633900_cit2","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1007\/3-540-31390-7_11","article-title":"Cytosine Methylation\nand DNA Repair","volume-title":"DNA Methylation: Basic\nMechanisms","author":"Walsh","year":"2006"},{"key":"2026092106072633900_cit3","doi-asserted-by":"publisher","first-page":"884","DOI":"10.1126\/science.aat0971","article-title":"Hachimoji DNA and\nRNA: A genetic system with eight building blocks","volume":"363","author":"Hoshika","year":"2019","journal-title":"Science"},{"key":"2026092106072633900_cit4","doi-asserted-by":"publisher","first-page":"436","DOI":"10.1038\/d41586-019-00650-8","article-title":"Four new DNA\nletters double life\u2019s alphabet","volume":"566","author":"Warren","year":"2019","journal-title":"Nature"},{"key":"2026092106072633900_cit5","doi-asserted-by":"publisher","first-page":"14710","DOI":"10.1021\/ja074776c","article-title":"Double-stranded\nDNA dissociates into single strands when dragged into a poor solvent","volume":"129","author":"Cui","year":"2007","journal-title":"J. Am. Chem. Soc."},{"key":"2026092106072633900_cit6","doi-asserted-by":"publisher","first-page":"6185","DOI":"10.1073\/pnas.94.12.6185","article-title":"Ionic effects\non the elasticity of single DNA molecules","volume":"94","author":"Baumann","year":"1997","journal-title":"Proc.\nNatl. Acad. Sci. U.S.A."},{"key":"2026092106072633900_cit7","doi-asserted-by":"publisher","first-page":"1997","DOI":"10.1016\/S0006-3495(00)76747-6","article-title":"Mechanical stability\nof single DNA molecules","volume":"78","author":"Clausen-Schaumann","year":"2000","journal-title":"Biophys. J."},{"key":"2026092106072633900_cit8","doi-asserted-by":"publisher","first-page":"10679","DOI":"10.1021\/ja9617855","article-title":"A DNA\u2013Lipid\nComplex in Organic Media and Formation\nof an Aligned Cast Film1","volume":"118","author":"Tanaka","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"2026092106072633900_cit9","unstructured":"Marlaire, R.\n          \n          NASA Ames reproduces\nthe building blocks of life in laboratory, NASA (3 March 2015). Retrieved 10 June 2020 from http:\/\/phys.org\/news\/2015-03-nasa-ames-blocks-life-laboratory.html."},{"key":"2026092106072633900_cit10","doi-asserted-by":"publisher","first-page":"8319","DOI":"10.1021\/ja00233a006","article-title":"Matrix\nisolation infrared studies of nucleic acid constituents. 5. Experimental\nmatrix-isolation and theoretical ab initio SCF molecular orbital studies\nof the infrared spectra of cytosine monomers","volume":"110","author":"Szczesniak","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"2026092106072633900_cit11","doi-asserted-by":"publisher","first-page":"235","DOI":"10.1002\/em.22087","article-title":"Mechanisms of DNA\ndamage, repair, and mutagenesis","volume":"58","author":"Chatterjee","year":"2017","journal-title":"Environ. Mol.\nMutagen."},{"key":"2026092106072633900_cit12","doi-asserted-by":"publisher","first-page":"3840","DOI":"10.1021\/acs.jpca.9b02105","article-title":"Exploring\nFree Energy Profiles of Uracil and Cytosine Reactions with Formaldehyde","volume":"123","author":"Kua","year":"2019","journal-title":"J. Phys. Chem. A"},{"key":"2026092106072633900_cit13","doi-asserted-by":"publisher","first-page":"131","DOI":"10.1038\/nsmb.3344","article-title":"Structural basis for targeted DNA cytosine deamination\nand mutagenesis by APOBEC3A and APOBEC3B","volume":"24","author":"Shi","year":"2017","journal-title":"Nat.\nStruct. Mol. Biol."},{"key":"2026092106072633900_cit14","doi-asserted-by":"publisher","first-page":"335","DOI":"10.1128\/JB.142.1.335-338.1980","article-title":"Nitrous\nacid damage to duplex deoxyribonucleic\nacid: distinction between deamination of cytosine residues and a novel\nmutational lesion","volume":"142","author":"Frankel","year":"1980","journal-title":"J. Bacteriol."},{"key":"2026092106072633900_cit15","doi-asserted-by":"publisher","first-page":"12689","DOI":"10.1074\/jbc.273.21.12689","article-title":"Nitric\nOxide-induced Deamination\nof Cytosine and Guanine in Deoxynucleosides and Oligonucleotides","volume":"273","author":"Caulfield","year":"1998","journal-title":"J. Biol. Chem."},{"key":"2026092106072633900_cit16","doi-asserted-by":"publisher","first-page":"7027","DOI":"10.1093\/nar\/10.21.7027","article-title":"Evidence for tautornerisrn\nin nucleic acid base pairs. 1 H NMR study of 15 N labeled tRNA","volume":"10","author":"Ru\u0308terjans","year":"1982","journal-title":"Nucleic Acids Res."},{"key":"2026092106072633900_cit17","doi-asserted-by":"publisher","first-page":"573","DOI":"10.1002\/qua.560200229","article-title":"Tautomerism of pyrimidines and purines in the gas phase\nand in low-temperature matrices, and some biological implications","volume":"20","author":"Shugar","year":"1981","journal-title":"Int. J. Quantum Chem."},{"key":"2026092106072633900_cit18","doi-asserted-by":"publisher","first-page":"5969","DOI":"10.1021\/ja00357a002","article-title":"Matrix isolation studies\nof nucleic\nacid constituents. 1. Infrared spectra of uracil monomers","volume":"105","author":"Szczesniak","year":"1983","journal-title":"J. Am. Chem. Soc."},{"key":"2026092106072633900_cit19","doi-asserted-by":"publisher","first-page":"2329","DOI":"10.1021\/ja00215a069","article-title":"Microwave spectrum\nof uracil","volume":"110","author":"Brown","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"2026092106072633900_cit20","doi-asserted-by":"publisher","first-page":"724","DOI":"10.1103\/RevModPhys.35.724","article-title":"Proton\nTunneling in DNA and its Biological Implications","volume":"35","author":"Lo\u0308wdin","year":"1963","journal-title":"Rev. Mod. Phys."},{"key":"2026092106072633900_cit21","doi-asserted-by":"publisher","first-page":"615","DOI":"10.1002\/qua.560560517","article-title":"Solvent\neffects in density functional\ncalculations of uracil and cytosine tautomerism","volume":"56","author":"Paglieri","year":"1995","journal-title":"Int. J. Quantum Chem."},{"key":"2026092106072633900_cit22","doi-asserted-by":"publisher","first-page":"6338","DOI":"10.1021\/ja00436a045","article-title":"Tautomerism in cytosine\nand 3-methylcytosine. A thermodynamic and kinetic study","volume":"98","author":"Dreyfus","year":"1976","journal-title":"J. Am. Chem. Soc."},{"key":"2026092106072633900_cit23","doi-asserted-by":"publisher","first-page":"9283","DOI":"10.1021\/jo801822s","article-title":"Gas-Phase\nThermochemical Properties of Pyrimidine Nucleobases","volume":"73","author":"Liu","year":"2008","journal-title":"J. Org. Chem."},{"key":"2026092106072633900_cit24","volume-title":"Principles of Nucleic\nAcid Structure","author":"Saenger","year":"1983"},{"key":"2026092106072633900_cit25","doi-asserted-by":"publisher","first-page":"5396","DOI":"10.1002\/anie.200460107","article-title":"Metal-mediated deamination\nof cytosine: experiment and DFT calculations","volume":"43","author":"Sponer","year":"2004","journal-title":"Angew. Chem."},{"key":"2026092106072633900_cit26","doi-asserted-by":"publisher","first-page":"1047","DOI":"10.1038\/2271047a0","article-title":"Specific\nDeamination of Rna by Sodium\nBisulphite","volume":"227","author":"Shapiro","year":"1970","journal-title":"Nature"},{"key":"2026092106072633900_cit27","doi-asserted-by":"publisher","first-page":"422","DOI":"10.1021\/ja00705a626","article-title":"Reactions of Uracil and Cytosine\nDerivatives with Sodium Bisulfite. A Specific Deamination Method","volume":"92","author":"Shapiro","year":"1970","journal-title":"J. Am. Chem. Soc."},{"key":"2026092106072633900_cit28","doi-asserted-by":"publisher","first-page":"10172","DOI":"10.1021\/bi960001x","article-title":"Accelerated Deamination\nof Cytosine Residues in UV-Induced\nCyclobutane Pyrimidine Dimers Leads to CC\u2192TT Transitions","volume":"35","author":"Peng","year":"1996","journal-title":"Biochemistry"},{"key":"2026092106072633900_cit29","doi-asserted-by":"publisher","first-page":"8227","DOI":"10.1021\/jp062300u","article-title":"Computational Study\nof the Deamination Reaction of Cytosine with H2O and OH","volume":"110","author":"Almatarneh","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"2026092106072633900_cit30","doi-asserted-by":"publisher","first-page":"342","DOI":"10.1016\/S0009-2614(01)00588-7","article-title":"Anions of\nthe hydrogen-bonded guanine\u2013cytosine\ndimer \u2013 theoretical study","volume":"342","author":"Smets","year":"2001","journal-title":"Chem. Phys.\nLett."},{"key":"2026092106072633900_cit31","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.chemphys.2004.09.034","article-title":"Theoretical study\nof hyperfine coupling constants of\nuracil, cytosine and their halogenated derivatives in triplet state","volume":"310","author":"Hou","year":"2005","journal-title":"Chem. Phys."},{"key":"2026092106072633900_cit32","doi-asserted-by":"publisher","first-page":"2810","DOI":"10.1021\/ja00008a002","article-title":"OPLS potential functions for nucleotide\nbases. Relative association constants of hydrogen-bonded base pairs\nin chloroform","volume":"113","author":"Pranata","year":"1991","journal-title":"J. Am. Chem. Soc."},{"key":"2026092106072633900_cit33","doi-asserted-by":"publisher","first-page":"S1","DOI":"10.1134\/S0006297906130013","article-title":"Simulation of DNA bases\nin water: Comparison of the Monte Carlo algorithm with molecular mechanics\nforce fields","volume":"71","author":"Monajjemi","year":"2006","journal-title":"Biochemistry"},{"key":"2026092106072633900_cit34","doi-asserted-by":"publisher","first-page":"437","DOI":"10.1016\/S0009-2614(99)01394-9","article-title":"A theoretical\nstudy on cytosine tautomers in aqueous media by using continuum models","volume":"317","author":"Sambrano","year":"2000","journal-title":"Chem. Phys. Lett."},{"key":"2026092106072633900_cit35","doi-asserted-by":"publisher","first-page":"6811","DOI":"10.1021\/ja954293l","article-title":"Tautomerism\nand Protonation of Guanine\nand Cytosine. Implications in the Formation of Hydrogen-Bonded Complexes","volume":"118","author":"Colominas","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"2026092106072633900_cit36","doi-asserted-by":"publisher","first-page":"411","DOI":"10.1016\/j.saa.2011.08.054","article-title":"Vibrational and electronic\ninvestigations, thermodynamic parameters, HOMO and LUMO analysis on\ncrotonaldehyde by ab initio and DFT methods","volume":"83","author":"Jayaprakash","year":"2011","journal-title":"Spectrochim. Acta, Part A"},{"key":"2026092106072633900_cit37","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; Li, X.; Caricato, M.; Marenich, A. V.; Bloino, J.; Janesko, B. G.; Gomperts, R.; Mennucci, B.; Hratchian, H. P.; Ortiz, J. V.; Izmaylov, A. F.; Sonnenberg, J. L.; Williams-Young, D.; Ding, F.; Lipparini, F.; Egidi, F.; Goings, J.; Peng, B.; Petrone, A.; Henderson, T.; Ranasinghe, D.; Zakrzewski, V. G.; Gao, J.; Rega, N.; Zheng, G.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Throssell, K.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M. J.; Heyd, J. J.; Brothers, E. N.; Kudin, K. N.; Staroverov, V. N.; Keith, T. A.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A. P.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Millam, J. M.; Klene, M.; Adamo, C.; Cammi, R.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Farkas, O.; Foresman, J. B.; Fox, D. J. J.\n          Gaussian 16, Revision C.01; Gaussian, Inc.: Wallingford, CT, 2016."},{"key":"2026092106072633900_cit38","doi-asserted-by":"publisher","first-page":"7650","DOI":"10.1063\/1.478676","article-title":"Gaussian-3\ntheory using density functional geometries and zero-point energies","volume":"110","author":"Baboul","year":"1999","journal-title":"J. Chem. Phys."},{"key":"2026092106072633900_cit39","doi-asserted-by":"publisher","first-page":"4703","DOI":"10.1063\/1.478385","article-title":"Gaussian-3\ntheory using reduced Moller-Plesset order","volume":"110","author":"Curtiss","year":"1999","journal-title":"J.\nChem. Phys."},{"key":"2026092106072633900_cit40","doi-asserted-by":"publisher","first-page":"6378","DOI":"10.1021\/jp810292n","article-title":"Universal\nSolvation Model Based on\nSolute Electron Density and on a Continuum Model of the Solvent Defined\nby the Bulk Dielectric Constant and Atomic Surface Tensions","volume":"113","author":"Marenich","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"2026092106072633900_cit41","doi-asserted-by":"publisher","first-page":"4538","DOI":"10.1021\/jp809094y","article-title":"Performance of SM6, SM8, and SMD\non the SAMPL1 Test Set for the Prediction of Small-Molecule Solvation\nFree Energies","volume":"113","author":"Marenich","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"2026092106072633900_cit42","doi-asserted-by":"publisher","first-page":"116","DOI":"10.1016\/j.molstruc.2015.07.003","article-title":"Vibrational\nand electronic investigations, thermodynamic parameters, HOMO and\nLUMO analysis on Lornoxicam by density functional theory","volume":"1100","author":"Suhasini","year":"2015","journal-title":"J. Mol. Struct."},{"key":"2026092106072633900_cit43","doi-asserted-by":"publisher","first-page":"53","DOI":"10.1016\/j.saa.2012.03.074","article-title":"Vibrational spectroscopic\nstudies, NLO, HOMO-LUMO and electronic structure calculations of alpha,alpha,alpha-trichlorotoluene\nusing HF and DFT","volume":"94","author":"Govindarajan","year":"2012","journal-title":"Spectrochim. Acta, Part A"},{"key":"2026092106072633900_cit44","doi-asserted-by":"publisher","first-page":"405","DOI":"10.1021\/jo991251x","article-title":"Modeling of\nprotonation processes in acetohydroxamic acid","volume":"65","author":"Mun\u0303oz-Caro","year":"2000","journal-title":"J. Org. Chem."},{"key":"2026092106072633900_cit45","doi-asserted-by":"publisher","first-page":"317","DOI":"10.1016\/S0301-0104(97)00320-0","article-title":"Molecular electrostatic\npotentials and Mulliken charge populations of DNA mini-sequences","volume":"227","author":"Santamaria","year":"1998","journal-title":"Chem. Phys."},{"key":"2026092106072633900_cit46","doi-asserted-by":"publisher","first-page":"91","DOI":"10.1002\/crat.201100481","article-title":"Substituent and\nsolvent effects on UV\u2013visible\nabsorption spectra of liquid crystalline disubstituted biphenylcyclohexane\nderivatives - a computational approach","volume":"47","author":"Praveen","year":"2012","journal-title":"Cryst.\nRes. Technol."},{"key":"2026092106072633900_cit47","doi-asserted-by":"publisher","first-page":"47","DOI":"10.1016\/j.comptc.2013.02.020","article-title":"Molecular structure and solvent effects\non the dipole moments and polarizabilities of some aniline derivatives","volume":"1012","author":"Targema","year":"2013","journal-title":"Comput. Theor. Chem."},{"key":"2026092106072633900_cit48","doi-asserted-by":"publisher","first-page":"13218","DOI":"10.1021\/jp075674b","article-title":"New insights into\nthe bromination reaction for a series\nof alkenes - A computational study","volume":"111","author":"Islam","year":"2007","journal-title":"J. Phys.\nChem. A"},{"key":"2026092106072633900_cit49","doi-asserted-by":"publisher","first-page":"152","DOI":"10.1021\/jp077306d","article-title":"Addition reaction\nof adamantylideneadamantane with\nBr-2 and 2Br(2): A computational study","volume":"112","author":"Islam","year":"2008","journal-title":"J. Phys.\nChem. A"},{"key":"2026092106072633900_cit50","doi-asserted-by":"publisher","first-page":"86","DOI":"10.1021\/ct700224j","article-title":"Comparison of the\nstandard 6-31G and binning-curtiss basis sets for third row elements","volume":"4","author":"Islam","year":"2008","journal-title":"J. Chem. Theory Comput."},{"key":"2026092106072633900_cit51","doi-asserted-by":"publisher","first-page":"526","DOI":"10.1021\/jp066524o","article-title":"Computational\nstudy of the reactions\nof SiH3X (X = H, Cl, Br, I) with HCN","volume":"111","author":"Islam","year":"2007","journal-title":"J. Phys.\nChem. A"},{"key":"2026092106072633900_cit52","doi-asserted-by":"publisher","first-page":"4385","DOI":"10.1021\/jo01338a029","article-title":"Bromination of cytosine\nderivatives","volume":"44","author":"Taguchi","year":"1979","journal-title":"J. Org. Chem."},{"key":"2026092106072633900_cit53","doi-asserted-by":"publisher","first-page":"73","DOI":"10.1016\/0040-6031(80)85023-4","article-title":"Thermodynamics\nof Nitrogen-Compounds .5. Thermochemical Study of Cytosine","volume":"35","author":"Sabbah","year":"1980","journal-title":"Thermochim. Acta"},{"key":"2026092106072633900_cit54","first-page":"1","article-title":"NIST-JANAF\nThemochemical Tables, Fourth Edition","author":"Chase","year":"1998","journal-title":"J. Phys.\nChem. Ref. Data, Monogr. 9"}],"container-title":["ACS Omega"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.0c02943","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/5\/35\/22449\/68571296\/acsomega.0c02943.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/5\/35\/22449\/68571296\/acsomega.0c02943.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T11:50:38Z","timestamp":1789991438000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/acsodf\/article\/5\/35\/22449\/1377885\/New-Insights-into-the-Structure-and-Reactivity-of"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,8,24]]},"references-count":54,"journal-issue":{"issue":"35","published-online":{"date-parts":[[2020,8,24]]},"published-print":{"date-parts":[[2020,9,8]]}},"URL":"https:\/\/doi.org\/10.1021\/acsomega.0c02943","relation":{},"ISSN":["2470-1343"],"issn-type":[{"value":"2470-1343","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,8,24]]}}}