ABSTRACT A novel 1:1 supramolecular dye inclusion complex between inverted cucurbit[7]uril (iQ[7]) and Thioflavin T (THT) has been successfully constructed on the basis of host–guest recognition. The obtained results revealed that THT exhibited obvious iQ[7]-induced fluorescence enhancement in this inclusion complex system, and the N-dimethyl and benzene ring moiety of the guest THT were located inside the cavity of iQ[7], whereas the other section of THT remained outside the portal. And THT@iQ[7] was highly stimuli-responsive to competing guests. These results provided a possibility for application in the molecular recognition area. Graphical Abstract
{"title":"Stimuli-responsive supramolecular dye inclusion complex constructed by self-assembly of inverted cucurbit[7]uril and thioflavin T","authors":"Hui Zhao, Wen-Jie Chen, Hao Chen, Jifu Sun, Zhong‐Zheng Gao","doi":"10.1080/10610278.2022.2109471","DOIUrl":"https://doi.org/10.1080/10610278.2022.2109471","url":null,"abstract":"ABSTRACT A novel 1:1 supramolecular dye inclusion complex between inverted cucurbit[7]uril (iQ[7]) and Thioflavin T (THT) has been successfully constructed on the basis of host–guest recognition. The obtained results revealed that THT exhibited obvious iQ[7]-induced fluorescence enhancement in this inclusion complex system, and the N-dimethyl and benzene ring moiety of the guest THT were located inside the cavity of iQ[7], whereas the other section of THT remained outside the portal. And THT@iQ[7] was highly stimuli-responsive to competing guests. These results provided a possibility for application in the molecular recognition area. Graphical Abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"198 1","pages":"559 - 567"},"PeriodicalIF":3.3,"publicationDate":"2021-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78086425","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-09-02DOI: 10.1080/10610278.2022.2057228
Sanobar Naaz, R. A. Laskar, Sk Khalid Rahaman, S. Wabaidur, M. Siddiqui, M. Islam, Md. Maidul Islam, Mohammad Hedayetullah Mir, S. M. Alam
ABSTRACT A terpyridyl-based binuclear Cu(II) complex, formulated as [Cu2(tpy)2(muco)(NO3)2], (1) (typ = 2,2’;6’,2”-terpyridine and H2-muco = trans, trans-muconic acid) was synthesised in a single pot technique using slow evaporation method. Blue coloured distorted octahedral-shaped crystals were obtained after a day. Synthesised compound has been characterised by elemental analysis as well as single crystal X-ray diffraction (SCXRD) techniques. Hirshfeld surface analysis has been explored to check out the nature of intermolecular interactions and packing modes of compounds in the crystalline state. From the docking study, it has been found that the metal complex bind to the major groove of DNA and the planner aromatic pyridine ring of the ligand partially intercalate into the base pairs.
{"title":"Supramolecular Assembly of a Terpyridyl based Binuclear Cu(II) Complex and its DNA Docking Study","authors":"Sanobar Naaz, R. A. Laskar, Sk Khalid Rahaman, S. Wabaidur, M. Siddiqui, M. Islam, Md. Maidul Islam, Mohammad Hedayetullah Mir, S. M. Alam","doi":"10.1080/10610278.2022.2057228","DOIUrl":"https://doi.org/10.1080/10610278.2022.2057228","url":null,"abstract":"ABSTRACT A terpyridyl-based binuclear Cu(II) complex, formulated as [Cu2(tpy)2(muco)(NO3)2], (1) (typ = 2,2’;6’,2”-terpyridine and H2-muco = trans, trans-muconic acid) was synthesised in a single pot technique using slow evaporation method. Blue coloured distorted octahedral-shaped crystals were obtained after a day. Synthesised compound has been characterised by elemental analysis as well as single crystal X-ray diffraction (SCXRD) techniques. Hirshfeld surface analysis has been explored to check out the nature of intermolecular interactions and packing modes of compounds in the crystalline state. From the docking study, it has been found that the metal complex bind to the major groove of DNA and the planner aromatic pyridine ring of the ligand partially intercalate into the base pairs.","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"30 1","pages":"487 - 492"},"PeriodicalIF":3.3,"publicationDate":"2021-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82264337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-09-02DOI: 10.1080/10610278.2022.2073823
Xenia L. Nastatos, Elissar Mansour, Alice Gu, N. Wheate
ABSTRACT The compatibility of 15 antimicrobial preservatives used in liquid/semi-solid pharmaceutical dosage formulations with the macrocycles cucurbit[7]uril (CB[7]) and para-sulfonatocalix[4]arene (sCX[4]) was examined by 1H NMR. A preservative was deemed to be compatible with one, or both, of the macrocycles if there was no evidence of host-guest complex formation. Eight preservatives (benzoic acid, ethanol, glycerine, methyl paraben, potassium sorbate, propylene glycol, sodium ethylenediaminetetraacetic acid, and sodium metabisulfite) were determined to be compatible with both CB[7] and sCX[4]. Three preservatives (benzalkonium chloride, cetrimide, and chlorhexidine) were determined to be not compatible with either macrocycle, whereas chlorobutanol and chlorocresol were found to be compatible with sCX[4] but not with CB[7]. Phenoxyethanol was incompatible with sCX[4] but possibly incompatible with CB[7] depending on the concentration of the preservative used with the cucurbituril. Finally, sodium propanoate was compatible with sCX[4] but only possibly compatible with CB[7]. Graphical abstract
{"title":"Aqueous compatibility of 15 pharmaceutical antimicrobial preservatives with the macrocycles cucurbit[7]uril and para-sulfonatocalix[4]arene","authors":"Xenia L. Nastatos, Elissar Mansour, Alice Gu, N. Wheate","doi":"10.1080/10610278.2022.2073823","DOIUrl":"https://doi.org/10.1080/10610278.2022.2073823","url":null,"abstract":"ABSTRACT The compatibility of 15 antimicrobial preservatives used in liquid/semi-solid pharmaceutical dosage formulations with the macrocycles cucurbit[7]uril (CB[7]) and para-sulfonatocalix[4]arene (sCX[4]) was examined by 1H NMR. A preservative was deemed to be compatible with one, or both, of the macrocycles if there was no evidence of host-guest complex formation. Eight preservatives (benzoic acid, ethanol, glycerine, methyl paraben, potassium sorbate, propylene glycol, sodium ethylenediaminetetraacetic acid, and sodium metabisulfite) were determined to be compatible with both CB[7] and sCX[4]. Three preservatives (benzalkonium chloride, cetrimide, and chlorhexidine) were determined to be not compatible with either macrocycle, whereas chlorobutanol and chlorocresol were found to be compatible with sCX[4] but not with CB[7]. Phenoxyethanol was incompatible with sCX[4] but possibly incompatible with CB[7] depending on the concentration of the preservative used with the cucurbituril. Finally, sodium propanoate was compatible with sCX[4] but only possibly compatible with CB[7]. Graphical abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"23 1","pages":"504 - 512"},"PeriodicalIF":3.3,"publicationDate":"2021-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84594151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-09-02DOI: 10.1080/10610278.2022.2085105
Nasibeh Azizi Khereshki, A. Mohammadi, H. Zavvar Mousavi, N. Alizadeh
ABSTRACT In this study, a novel thiosemicarbazide-based Schiff-base chemosensor containing naphthalene moiety (TSNCS) was easily synthesised and used for colorimetric detection of Ni2+, Co2+ ions in real samples. Probe TSNCS displayed an obvious colour change from colourless to dark yellow in the presence of Co2+ and Ni2+ in aqueous acetonitrile solutions. The interaction-binding mode of probe TSNCS with Co2+ (TSNCS-Co2+) and Ni2+ (TSNCS-Ni2+) was found to be 1:1 based on Job’s plot analysis. The results showed that the chemosensor TSNCS could provide a rapid analytical method for naked-eye detection of Co2+ and Ni2+ with detection limits (LOD) of 0.0114 μM and 0.0168 μM, respectively. Furthermore, the TSNCS-based test papers strips were successfully used for the rapid detection of Co2+ and Ni2+ ions in an aqueous solution. In addition, probe TSNCS was applied for the qualitative and quantitative analysis of Co2+ in the commercial vitamin B12 and real water samples. GRAPHICAL ABSTRACT
{"title":"A novel thiosemicarbazide based chemosensor for colorimetric detection of Co2+ in commercial B12 vitamin and Co2+, Ni2+ simultaneously in aqueous media","authors":"Nasibeh Azizi Khereshki, A. Mohammadi, H. Zavvar Mousavi, N. Alizadeh","doi":"10.1080/10610278.2022.2085105","DOIUrl":"https://doi.org/10.1080/10610278.2022.2085105","url":null,"abstract":"ABSTRACT In this study, a novel thiosemicarbazide-based Schiff-base chemosensor containing naphthalene moiety (TSNCS) was easily synthesised and used for colorimetric detection of Ni2+, Co2+ ions in real samples. Probe TSNCS displayed an obvious colour change from colourless to dark yellow in the presence of Co2+ and Ni2+ in aqueous acetonitrile solutions. The interaction-binding mode of probe TSNCS with Co2+ (TSNCS-Co2+) and Ni2+ (TSNCS-Ni2+) was found to be 1:1 based on Job’s plot analysis. The results showed that the chemosensor TSNCS could provide a rapid analytical method for naked-eye detection of Co2+ and Ni2+ with detection limits (LOD) of 0.0114 μM and 0.0168 μM, respectively. Furthermore, the TSNCS-based test papers strips were successfully used for the rapid detection of Co2+ and Ni2+ ions in an aqueous solution. In addition, probe TSNCS was applied for the qualitative and quantitative analysis of Co2+ in the commercial vitamin B12 and real water samples. GRAPHICAL ABSTRACT","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"16 1","pages":"513 - 526"},"PeriodicalIF":3.3,"publicationDate":"2021-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84766648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ABSTRACT Understanding the factors that have influence on the compactness of calixarene assemblies is important for choosing or designing molecules for specific function. In this paper, we comparatively investigated the packing performances of a series of amphiphilic calixarene assemblies by fluorescence anisotropy. Calixarene frameworks, the upper-rim decoration of head groups and the length of lower-rim alkyl chains of amphiphilic calixarenes all affect their packing compactness. This work has guiding significance for further application studies. Graphical Abstract
{"title":"Study on assembling compactness of amphiphilic calixarenes by fluorescence anisotropy","authors":"Han‐Wen Tian, Zhe Xu, Hua-Bin Li, Xin-Yue Hu, Dong‐sheng Guo","doi":"10.1080/10610278.2022.2087523","DOIUrl":"https://doi.org/10.1080/10610278.2022.2087523","url":null,"abstract":"ABSTRACT Understanding the factors that have influence on the compactness of calixarene assemblies is important for choosing or designing molecules for specific function. In this paper, we comparatively investigated the packing performances of a series of amphiphilic calixarene assemblies by fluorescence anisotropy. Calixarene frameworks, the upper-rim decoration of head groups and the length of lower-rim alkyl chains of amphiphilic calixarenes all affect their packing compactness. This work has guiding significance for further application studies. Graphical Abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"21 1","pages":"527 - 533"},"PeriodicalIF":3.3,"publicationDate":"2021-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81578027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-09-02DOI: 10.1080/10610278.2022.2087524
N. K, Ashutosh Kumar Singh, A. N. Shetty, Darshak R. Trivedi
ABSTRACT The colorimetric recognition of biologically relevant fluoride (F−), acetate (AcO−), and dihydrogen phosphate (H2PO4 −) ions, and poisonous arsenite (AsO2 −) ions, was devised and new receptors for these anions synthesised via the Schiff base condensation procedure. UV–visible titration, fluorescence titration, 1H-NMR titration, and cyclic voltammetry were used to explore the interactions of receptors R1–R3 with anions and possible detection mechanisms. The synthesised probes could sense inorganic fluoride, acetate, dihydrogen phosphate, and arsenite in the organo–aqueous medium (H2O/ Dimethylsulphoxide, 1: 9, v/v) and displayed a change in colour detectable to the naked eye. Out of the three synthesised receptors, receptor R1 showed better sensing ability of fluoride, acetate, dihydrogen phosphate, and arsenite ions in the organo–aqueous medium with a lower detection limit of 0.1 ppm, 0.171 ppm, 0.194 ppm, and 0.144 ppm, respectively. All three receptors formed complexes with the anions through H-bonding interaction followed by deprotonation of the NH proton. Graphical Abstract
{"title":"Chromogenic detection of fluoride, dihydrogen phosphate, and arsenite anions based on 2,4-dinitrophenyl hydrazine receptors: spectral and electrochemical study","authors":"N. K, Ashutosh Kumar Singh, A. N. Shetty, Darshak R. Trivedi","doi":"10.1080/10610278.2022.2087524","DOIUrl":"https://doi.org/10.1080/10610278.2022.2087524","url":null,"abstract":"ABSTRACT The colorimetric recognition of biologically relevant fluoride (F−), acetate (AcO−), and dihydrogen phosphate (H2PO4 −) ions, and poisonous arsenite (AsO2 −) ions, was devised and new receptors for these anions synthesised via the Schiff base condensation procedure. UV–visible titration, fluorescence titration, 1H-NMR titration, and cyclic voltammetry were used to explore the interactions of receptors R1–R3 with anions and possible detection mechanisms. The synthesised probes could sense inorganic fluoride, acetate, dihydrogen phosphate, and arsenite in the organo–aqueous medium (H2O/ Dimethylsulphoxide, 1: 9, v/v) and displayed a change in colour detectable to the naked eye. Out of the three synthesised receptors, receptor R1 showed better sensing ability of fluoride, acetate, dihydrogen phosphate, and arsenite ions in the organo–aqueous medium with a lower detection limit of 0.1 ppm, 0.171 ppm, 0.194 ppm, and 0.144 ppm, respectively. All three receptors formed complexes with the anions through H-bonding interaction followed by deprotonation of the NH proton. Graphical Abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"22 1","pages":"534 - 549"},"PeriodicalIF":3.3,"publicationDate":"2021-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88804014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-08-03DOI: 10.1080/10610278.2022.2047969
R. Migliore, G. Grasso, Paola Milana, Simona Cusmano, Giuseppina D G Santonoceta, C. Sgarlata
ABSTRACT Supramolecular amphiphiles are a topic of widespread interest in supramolecular chemistry and the characterisation of their properties at the interfacesis at the basis of industrial and biotechnology applications. This work focuses on the determination of the adsorption features of supramolecular amphiphiles, formed by the host-guest complexation of a p-sulfonatocalix[4]arene with selected cationic surfactants, at the solid–liquid interface monitored by quartz crystal microbalance with dissipation monitoring (QCM-D) experiments. The adsorption process resulted to be favourite and strongly affected by the length of the surfactant alkyl chain and somehow by the nature of the polar head. The adsorption isotherms highlighted the key role played by the calixarene scaffold in the CMC value, the amount of material absorbed and the efficiency of the adsorption process on a gold substrate. Furthermore, the kinetic profiles provided significant insights on the different mechanisms of adsorption undergone by either conventional or supramolecular amphiphilic systems. Graphical abstract
{"title":"Adsorption of calixarene-based supramphiphiles at the solid–liquid interface monitored by QCM-D","authors":"R. Migliore, G. Grasso, Paola Milana, Simona Cusmano, Giuseppina D G Santonoceta, C. Sgarlata","doi":"10.1080/10610278.2022.2047969","DOIUrl":"https://doi.org/10.1080/10610278.2022.2047969","url":null,"abstract":"ABSTRACT Supramolecular amphiphiles are a topic of widespread interest in supramolecular chemistry and the characterisation of their properties at the interfacesis at the basis of industrial and biotechnology applications. This work focuses on the determination of the adsorption features of supramolecular amphiphiles, formed by the host-guest complexation of a p-sulfonatocalix[4]arene with selected cationic surfactants, at the solid–liquid interface monitored by quartz crystal microbalance with dissipation monitoring (QCM-D) experiments. The adsorption process resulted to be favourite and strongly affected by the length of the surfactant alkyl chain and somehow by the nature of the polar head. The adsorption isotherms highlighted the key role played by the calixarene scaffold in the CMC value, the amount of material absorbed and the efficiency of the adsorption process on a gold substrate. Furthermore, the kinetic profiles provided significant insights on the different mechanisms of adsorption undergone by either conventional or supramolecular amphiphilic systems. Graphical abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"24 1","pages":"475 - 486"},"PeriodicalIF":3.3,"publicationDate":"2021-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77984932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-08-03DOI: 10.1080/10610278.2022.2035387
N. K, A. N. Shetty, Darshak R. Trivedi
ABSTRACT In biological systems, phosphates and their derivatives show vital roles in signal transduction and storing of energy. Due to the biotic and chemical importance of dihydrogen phosphate, the detection of the anion has gained greater focus in the area of sensing and supramolecular chemistry. Among the various methods, colorimetric and fluorescent recognition provides a simple and easy way of detection without the need for sophisticated instrumentation and technical skills. The present review focuses on highlighting the colorimetric and fluorescent detection of dihydrogen phosphate (H2PO4 −) via various detection mechanisms. This review divides the content into six major subtitles (i) Chemosensors based on H- bonding interaction (ii) Chemosensors based on deprotonation mechanism (iii) Chemosensors based on charge transfer interaction (iv) Chemosensors based on photoinduced electron transfer (v) Macrocycles as chemosensors (vi) Metal complexes as chemosensors. In each subdivision, more attention has been given to the detailed mechanism of detection.
{"title":"Recent advances in the fluorescent and colorimetric detection of dihydrogen phosphate","authors":"N. K, A. N. Shetty, Darshak R. Trivedi","doi":"10.1080/10610278.2022.2035387","DOIUrl":"https://doi.org/10.1080/10610278.2022.2035387","url":null,"abstract":"ABSTRACT In biological systems, phosphates and their derivatives show vital roles in signal transduction and storing of energy. Due to the biotic and chemical importance of dihydrogen phosphate, the detection of the anion has gained greater focus in the area of sensing and supramolecular chemistry. Among the various methods, colorimetric and fluorescent recognition provides a simple and easy way of detection without the need for sophisticated instrumentation and technical skills. The present review focuses on highlighting the colorimetric and fluorescent detection of dihydrogen phosphate (H2PO4 −) via various detection mechanisms. This review divides the content into six major subtitles (i) Chemosensors based on H- bonding interaction (ii) Chemosensors based on deprotonation mechanism (iii) Chemosensors based on charge transfer interaction (iv) Chemosensors based on photoinduced electron transfer (v) Macrocycles as chemosensors (vi) Metal complexes as chemosensors. In each subdivision, more attention has been given to the detailed mechanism of detection.","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"25 1","pages":"408 - 441"},"PeriodicalIF":3.3,"publicationDate":"2021-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77322342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-08-03DOI: 10.1080/10610278.2022.2043550
Vijaykant Khorwal, Riya Kathuria
ABSTRACT Fluorescence spectroscopy and time-resolved study have successfully explored the impact of supramolecular assembly, cucurbit[6]uril (CB6) on the dynamics of proton transfer in 2-(4’-pyridyl) benzimidazole (4-PBI). It has been observed that the guest molecules are capable of binding in three different states of protonation: cation C, tautomer T, and neutral N. While the acid–base equilibria is altered by the host molecule in the ground and excited states. Binding modes of the dye molecule with cucurbit[6]uril have been investigated by proton NMR spectroscopy. The binding of the guest with the supramolecular host is further confirmed by Quantum chemical calculations. The current study successfully recognises how the convoluted acid–base equilibria of dye molecule (4-PBI) are affected by cucurbit[6]uril (CB6) supramolecular assembly upon complexation. GRAPHICAL ABSTRACT
{"title":"Protonation–deprotonation dynamics of 2-(4’-pyridyl) benzimidazole derivative with cucurbit[6]uril at two different pH","authors":"Vijaykant Khorwal, Riya Kathuria","doi":"10.1080/10610278.2022.2043550","DOIUrl":"https://doi.org/10.1080/10610278.2022.2043550","url":null,"abstract":"ABSTRACT Fluorescence spectroscopy and time-resolved study have successfully explored the impact of supramolecular assembly, cucurbit[6]uril (CB6) on the dynamics of proton transfer in 2-(4’-pyridyl) benzimidazole (4-PBI). It has been observed that the guest molecules are capable of binding in three different states of protonation: cation C, tautomer T, and neutral N. While the acid–base equilibria is altered by the host molecule in the ground and excited states. Binding modes of the dye molecule with cucurbit[6]uril have been investigated by proton NMR spectroscopy. The binding of the guest with the supramolecular host is further confirmed by Quantum chemical calculations. The current study successfully recognises how the convoluted acid–base equilibria of dye molecule (4-PBI) are affected by cucurbit[6]uril (CB6) supramolecular assembly upon complexation. GRAPHICAL ABSTRACT","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"27 19 1","pages":"452 - 459"},"PeriodicalIF":3.3,"publicationDate":"2021-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78365398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","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
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：