{"title":"GAP Programming","authors":"Y. Alizadeh, A. Iranmanesh","doi":"10.1201/9780429022944-20","DOIUrl":"https://doi.org/10.1201/9780429022944-20","url":null,"abstract":"","PeriodicalId":268564,"journal":{"name":"New Frontiers in Nanochemistry","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124022414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Polycyclic Aromatic Hydrocarbons (PAHs)","authors":"M. Tudoran, Ana-Maria Putz, L. Pitulice, M. Putz","doi":"10.1201/9780429022951-21","DOIUrl":"https://doi.org/10.1201/9780429022951-21","url":null,"abstract":"In this work, we report the structure, intermolecular forces, electronic/optical 8 properties, and stability in solution of complexes formed between polycyclic aromatic 9 hydrocarbons (PAH) and phosphorene nanoflakes by density functional theory modeling. 10 PAH molecules reach a strong affinity with phosphorene by forming well-ordered domains, 11 whose interaction strength decreases 13-21% compared to the interaction onto carbonaceous 12 surfaces, e.g., graphene. The adsorption energies are in linear relation with the NH:NC ratio 13 of PAHs, where NH and NC are the numbers of H and C atoms; consequently, the cohesive 14 energy of phosphorene-graphene heterostructures is estimated in 44 meV/atom. Energy 15 decomposition (ALMO-EDA) and electron-density-based analyses support the major role of 16 electrostatics driving forces in the interaction mechanism, which is balanced with dispersion 17 effects for larger PAHs. In addition, phosphorene-PAH complexes display outstanding 18 stability in solution under polar/non-polar solvents, which is due to the high polarity of the 19 complexes and strong overcompensation of destabilizing solvation energies with stabilizing 20 electrostatic effects. Moreover, PAHs behave as n-dopants for phosphorene, inducing small 21 bandgap opening and weak effects on the photophysical fingerprint of phosphorene. 22 Nevertheless, strong electron acceptor/donor and larger PAHs (NH:NC<0.5) lead to major 23 effects on the bandgap control, acting as active sites for orbital-controlled interactions. These 24 findings serve as a framework for further investigation of phosphorene-based materials for 25 remediation of PAH pollutants in water treatment technologies and uses of PAHs for 26 phosphorene surface passivation or bandgap engineering for sensing. 27","PeriodicalId":268564,"journal":{"name":"New Frontiers in Nanochemistry","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"117265981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Isvoran, L. Pitulice, E. Vilaseca, I. Pastor, S. Madurga, F. Mas
{"title":"Macromolecular Crowding","authors":"A. Isvoran, L. Pitulice, E. Vilaseca, I. Pastor, S. Madurga, F. Mas","doi":"10.1201/9780429022951-20","DOIUrl":"https://doi.org/10.1201/9780429022951-20","url":null,"abstract":"","PeriodicalId":268564,"journal":{"name":"New Frontiers in Nanochemistry","volume":"29 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141206402","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Putz, Ana-Maria Putz, C. Duda-Seiman, D. Duda-Seiman
{"title":"Spectral-SAR","authors":"M. Putz, Ana-Maria Putz, C. Duda-Seiman, D. Duda-Seiman","doi":"10.1201/9780429022951-29","DOIUrl":"https://doi.org/10.1201/9780429022951-29","url":null,"abstract":"","PeriodicalId":268564,"journal":{"name":"New Frontiers in Nanochemistry","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132822007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Cell Cycle","authors":"Grdiša Mira, A. Mikecin","doi":"10.1201/9780429022951-5","DOIUrl":"https://doi.org/10.1201/9780429022951-5","url":null,"abstract":"","PeriodicalId":268564,"journal":{"name":"New Frontiers in Nanochemistry","volume":"35 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132221109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Receptor Binding","authors":"C. Duda-Seiman, D. Duda-Seiman, M. Putz","doi":"10.32388/0ddf9t","DOIUrl":"https://doi.org/10.32388/0ddf9t","url":null,"abstract":"Receptor Binding involves a temporary non-covalent, typically highly specific and high affinity, interaction through intermolecular physical forces of attraction and spatial complementarity with a diverse group of intrinsic membrane or cytoplasmic proteins that mediate the biological effects of secreted regulatory signaling molecules through modification of the activity of signal transduction pathways.","PeriodicalId":268564,"journal":{"name":"New Frontiers in Nanochemistry","volume":"15 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128463236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Drug Development","authors":"C. Duda-Seiman, D. Duda-Seiman, M. Putz","doi":"10.1007/978-1-4419-1005-9_100513","DOIUrl":"https://doi.org/10.1007/978-1-4419-1005-9_100513","url":null,"abstract":"","PeriodicalId":268564,"journal":{"name":"New Frontiers in Nanochemistry","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125699239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
求助内容：
应助结果提醒方式：