Pub Date : 2021-05-04DOI: 10.1080/10610278.2021.1975280
Ashwani Kumar, M. Singh, A. Panda, Y. Tyagi
ABSTRACT PG-dendritic amide-linked amphiphilic micelles were studied to increase the solubility of hydrophobic molecules. The encapsulation study was done by utilising hydrophobic pyrene dye using U.V. technique. The encapsulation efficiency of the non-ionic amphiphiles was obtained at neutral p.H. and at room temperature (p.H. 7.0 & 28 °C). The G.3 dendron-based non-ionic oleic (C18-cis)-amphiphile was found to have the 78.2% encapsulation efficiency. Studies show that the amide-linked G.1 dendron-based non-ionic (C18-cis) amphiphiles have sustained dye release percentage of 78.00% at p.H. 6.2 and 26.19% at p.H. 7.0 in 72 h at 37 °C. The in vitro cyto-toxicological studies showed that after 24–48 h treatment, the G.1 amide amphiphiles exhibit more than 80% of cell viability for concentration as high as 31.25 μg/mL. The cellular uptake was demonstrated using Coumarin 6. The integrated amphiphiles are biocompatible and can be used in the biomedical field as medication encapsulation and target drug delivery. Graphical abstract
{"title":"Amide-Linked Dendron-based Amphiphiles: A class of pH sensitive and highly biocompatible drug carrier for sustained drug release","authors":"Ashwani Kumar, M. Singh, A. Panda, Y. Tyagi","doi":"10.1080/10610278.2021.1975280","DOIUrl":"https://doi.org/10.1080/10610278.2021.1975280","url":null,"abstract":"ABSTRACT PG-dendritic amide-linked amphiphilic micelles were studied to increase the solubility of hydrophobic molecules. The encapsulation study was done by utilising hydrophobic pyrene dye using U.V. technique. The encapsulation efficiency of the non-ionic amphiphiles was obtained at neutral p.H. and at room temperature (p.H. 7.0 & 28 °C). The G.3 dendron-based non-ionic oleic (C18-cis)-amphiphile was found to have the 78.2% encapsulation efficiency. Studies show that the amide-linked G.1 dendron-based non-ionic (C18-cis) amphiphiles have sustained dye release percentage of 78.00% at p.H. 6.2 and 26.19% at p.H. 7.0 in 72 h at 37 °C. The in vitro cyto-toxicological studies showed that after 24–48 h treatment, the G.1 amide amphiphiles exhibit more than 80% of cell viability for concentration as high as 31.25 μg/mL. The cellular uptake was demonstrated using Coumarin 6. The integrated amphiphiles are biocompatible and can be used in the biomedical field as medication encapsulation and target drug delivery. Graphical abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"99 1","pages":"211 - 221"},"PeriodicalIF":3.3,"publicationDate":"2021-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80550009","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 : 2021-05-04DOI: 10.1080/10610278.2021.1961259
Nabi Javadi, Mojtaba Rezaeian, H. Fakhraian
ABSTRACT Density functional theory (DFT) calculations were made to investigate the interaction between enantiomers of methoxetamine (R & S) and achiral organic reagents, such as oxalate, succinate, fumarate, maleate, glutarate, adipate, pimelate, and suberate anions. The obtained results indicate that the oxalate and maleate anions have a greater ability to form conglomerate crystal of methoxetamine in the gas phase and in solution with chloroform, ethanol, and water. Results of the energy analysis reveal that, in comparison to gas phase and chloroform, the Gibbs energy, enthalpy, and internal thermal energy become more positive in the presence of water and ethanol solvents, confirming the negative effect of solvent polarity on enantiomer separation. It should also be noted that the presence of carbon-chain lengths greater than 3 atoms in organic reagents is not suitable for enantiomer separation and conglomerate crystal formation. . Graphical abstract
{"title":"The conglomerate crystal formation of methoxetamine salts in the presence of some organic achiral anions: a theoretical approach","authors":"Nabi Javadi, Mojtaba Rezaeian, H. Fakhraian","doi":"10.1080/10610278.2021.1961259","DOIUrl":"https://doi.org/10.1080/10610278.2021.1961259","url":null,"abstract":"ABSTRACT Density functional theory (DFT) calculations were made to investigate the interaction between enantiomers of methoxetamine (R & S) and achiral organic reagents, such as oxalate, succinate, fumarate, maleate, glutarate, adipate, pimelate, and suberate anions. The obtained results indicate that the oxalate and maleate anions have a greater ability to form conglomerate crystal of methoxetamine in the gas phase and in solution with chloroform, ethanol, and water. Results of the energy analysis reveal that, in comparison to gas phase and chloroform, the Gibbs energy, enthalpy, and internal thermal energy become more positive in the presence of water and ethanol solvents, confirming the negative effect of solvent polarity on enantiomer separation. It should also be noted that the presence of carbon-chain lengths greater than 3 atoms in organic reagents is not suitable for enantiomer separation and conglomerate crystal formation. . Graphical abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"25 1","pages":"183 - 193"},"PeriodicalIF":3.3,"publicationDate":"2021-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90672166","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 : 2021-05-04DOI: 10.1080/10610278.2021.1970161
Tran Ngoc Linh, T. Arimura, Kenichi Tominaga, H. Kigoshi, H. Isoda
ABSTRACT New squalene receptors bearing open-chain polyether ligands (SQ-diEG, SQ-triEG, SQ-tetraEG) were synthesised. The stoichiometries and association constants ( K a) for the interactions between these squalene receptors and representative alkaline earth metal ions (Mg2+, Ca2+, and Ba2+) were determined in solution. Fluorescence spectral studies revealed that the squalene receptors self-associate with critical vesicle concentrations at 25 °C of 2.2 × 10−5 M for SQ-diEG, 2.3 × 10−5 M for SQ-triEG, and 2.5 × 10−5 M for SQ-tetraEG. The self-assembly behaviour was probed using laser diffraction particle size-based analyses and scanning electron microscopy. A decrease in the SQ-tetraEG vesicle size was readily induced by the addition of alkaline earth metal ions, confirmed by cryogenic transmission electron microscopy. Graphical abstract
摘要合成了新型开链聚醚配体角鲨烯受体(SQ-diEG、SQ-triEG、SQ-tetraEG)。测定了这些角鲨烯受体与代表性碱土金属离子(Mg2+、Ca2+和Ba2+)相互作用的化学计量学和缔合常数(K a)。荧光光谱研究表明，角鲨烯受体与25°C时的临界囊泡浓度(SQ-diEG为2.2 × 10−5 M, SQ-triEG为2.3 × 10−5 M, SQ-tetraEG为2.5 × 10−5 M)自相关。利用激光衍射粒度分析和扫描电镜对其自组装行为进行了研究。低温透射电镜证实，加入碱土金属离子后，SQ-tetraEG囊泡大小明显减小。图形抽象
{"title":"Syntheses and aggregation properties of new squalene receptors bearing open chain ligands","authors":"Tran Ngoc Linh, T. Arimura, Kenichi Tominaga, H. Kigoshi, H. Isoda","doi":"10.1080/10610278.2021.1970161","DOIUrl":"https://doi.org/10.1080/10610278.2021.1970161","url":null,"abstract":"ABSTRACT New squalene receptors bearing open-chain polyether ligands (SQ-diEG, SQ-triEG, SQ-tetraEG) were synthesised. The stoichiometries and association constants ( K a) for the interactions between these squalene receptors and representative alkaline earth metal ions (Mg2+, Ca2+, and Ba2+) were determined in solution. Fluorescence spectral studies revealed that the squalene receptors self-associate with critical vesicle concentrations at 25 °C of 2.2 × 10−5 M for SQ-diEG, 2.3 × 10−5 M for SQ-triEG, and 2.5 × 10−5 M for SQ-tetraEG. The self-assembly behaviour was probed using laser diffraction particle size-based analyses and scanning electron microscopy. A decrease in the SQ-tetraEG vesicle size was readily induced by the addition of alkaline earth metal ions, confirmed by cryogenic transmission electron microscopy. Graphical abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"60 1","pages":"194 - 201"},"PeriodicalIF":3.3,"publicationDate":"2021-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80558455","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 : 2021-05-04DOI: 10.1080/10610278.2021.1950720
Sitthichok Mongkholkaew, A. Songsasen, W. Sirisaksoontorn, B. Wannalerse
ABSTRACT 2ʹ-(2-((4-(methylthio)phenyl)amino)-2-oxoethoxy)-[1,1ʹ-biphenyl]-2-yl 5(dimethyl amino)naphthalene-1-sulphonate (1) was synthesised and used as a F− ion sensor. The selectivity of sensor 1 with various anions (F−, Cl−, Br−, CH3COO−, C6H5COO− and H2PO4 −) in DMSO was evaluated by 1H NMR, UV-visible and fluorescence study. For 1H NMR, an amide proton of sensor 1 disappeared due to the deprotonation reaction upon addition of F− ion. On the contrary, the proton signal of HF2 − emerged at 16.11 ppm. Upon addition of F− ion, sensor 1 showed a new absorption band at 300 nm and the solution turned colourless. For fluorescence response, sensor 1 exhibited the enhancement of emission intensity at 434 nm with slight blue shift when titrated with F− ion. These results suggest that sensor 1 possessed high sensitivity and selectivity towards F− ion detection. In addition, the sensor 1 test strip coated on TLC plates and filter papers were demonstrated for specific detection F− ion. Graphical abstract
{"title":"A colorimetric and fluorescence sensor based on biphenolic-dansyl derivative for specific fluoride ion detection","authors":"Sitthichok Mongkholkaew, A. Songsasen, W. Sirisaksoontorn, B. Wannalerse","doi":"10.1080/10610278.2021.1950720","DOIUrl":"https://doi.org/10.1080/10610278.2021.1950720","url":null,"abstract":"ABSTRACT 2ʹ-(2-((4-(methylthio)phenyl)amino)-2-oxoethoxy)-[1,1ʹ-biphenyl]-2-yl 5(dimethyl amino)naphthalene-1-sulphonate (1) was synthesised and used as a F− ion sensor. The selectivity of sensor 1 with various anions (F−, Cl−, Br−, CH3COO−, C6H5COO− and H2PO4 −) in DMSO was evaluated by 1H NMR, UV-visible and fluorescence study. For 1H NMR, an amide proton of sensor 1 disappeared due to the deprotonation reaction upon addition of F− ion. On the contrary, the proton signal of HF2 − emerged at 16.11 ppm. Upon addition of F− ion, sensor 1 showed a new absorption band at 300 nm and the solution turned colourless. For fluorescence response, sensor 1 exhibited the enhancement of emission intensity at 434 nm with slight blue shift when titrated with F− ion. These results suggest that sensor 1 possessed high sensitivity and selectivity towards F− ion detection. In addition, the sensor 1 test strip coated on TLC plates and filter papers were demonstrated for specific detection F− ion. Graphical abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"83 1","pages":"151 - 159"},"PeriodicalIF":3.3,"publicationDate":"2021-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72903042","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 : 2021-04-03DOI: 10.1080/10610278.2021.1917768
Alessia Favero, A. Rozzi, C. Massera, A. Pedrini, R. Pinalli, E. Dalcanale
ABSTRACT The unique temperature, solvent and pH drivenvase to kite equilibrium in quinoxaline cavitands allows the reversible uptake and release of guests. However, the cavity breathing associated with this conformational switch reduces the strength of complexation. A limited number of solutions have been proposed for the cavity rigidification, using either H-bonding, metal coordination or covalent connections. Here we report the synthesis and structural characterisation of quinoxaline-based cavitand baskets, which present two distal quinoxaline walls linked together. Baskets A and B were obtained through a bridging reaction starting from an AC di-quinoxaline bridged cavitand using two different di-quinoxaline moieties. In both cases, two isomers were obtained: isomer C2, with the linking unit crossing the cavity mouth, and isomer Cs, having the linker sideways. The isomers were identified through 1H NMR analysis. In the case of basket A-Cs, the resolved molecular structure confirmed the Cs symmetry of the basket. Grapical abstract
{"title":"Synthesis of quinoxaline cavitand baskets","authors":"Alessia Favero, A. Rozzi, C. Massera, A. Pedrini, R. Pinalli, E. Dalcanale","doi":"10.1080/10610278.2021.1917768","DOIUrl":"https://doi.org/10.1080/10610278.2021.1917768","url":null,"abstract":"ABSTRACT The unique temperature, solvent and pH drivenvase to kite equilibrium in quinoxaline cavitands allows the reversible uptake and release of guests. However, the cavity breathing associated with this conformational switch reduces the strength of complexation. A limited number of solutions have been proposed for the cavity rigidification, using either H-bonding, metal coordination or covalent connections. Here we report the synthesis and structural characterisation of quinoxaline-based cavitand baskets, which present two distal quinoxaline walls linked together. Baskets A and B were obtained through a bridging reaction starting from an AC di-quinoxaline bridged cavitand using two different di-quinoxaline moieties. In both cases, two isomers were obtained: isomer C2, with the linking unit crossing the cavity mouth, and isomer Cs, having the linker sideways. The isomers were identified through 1H NMR analysis. In the case of basket A-Cs, the resolved molecular structure confirmed the Cs symmetry of the basket. Grapical abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"26 1","pages":"97 - 106"},"PeriodicalIF":3.3,"publicationDate":"2021-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84800361","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 : 2021-04-03DOI: 10.1080/10610278.2021.1946539
Patrick Wang, Xin Wu, Philip A. Gale
ABSTRACT We report a series of easily accessible carbazole-based bis-ureas and thioureas as effective anion receptors and transporters. The compounds exhibit moderate Cl− binding affinity in wet DMSO and Cl− transport capabilities in phospholipid membranes predominantly through an electroneutral H+/Cl− and anion exchange mechanisms. Graphical abstract
{"title":"Carbazole-based bis-ureas and thioureas as electroneutral anion transporters","authors":"Patrick Wang, Xin Wu, Philip A. Gale","doi":"10.1080/10610278.2021.1946539","DOIUrl":"https://doi.org/10.1080/10610278.2021.1946539","url":null,"abstract":"ABSTRACT We report a series of easily accessible carbazole-based bis-ureas and thioureas as effective anion receptors and transporters. The compounds exhibit moderate Cl− binding affinity in wet DMSO and Cl− transport capabilities in phospholipid membranes predominantly through an electroneutral H+/Cl− and anion exchange mechanisms. Graphical abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"28 1","pages":"143 - 149"},"PeriodicalIF":3.3,"publicationDate":"2021-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84908791","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 : 2021-04-03DOI: 10.1080/10610278.2021.1935946
N. M. Mockler, S. Engilberge, M. Rennie, C. Raston, P. B. Crowley
ABSTRACT Water soluble calixarenes are versatile mediators of protein assembly, including the fabrication of crystalline frameworks. Here, we report the X-ray crystal structure of cytochrome c (cytc) co-crystallised with two different calixarenes: phosphonato-calix[6]arene (pclx6 ) and sulfonato-calix[8]arene (sclx8 ). Each calixarene type acts as an independent molecular glue that mediates cytc dimers within the crystal. The calixarene-mediated dimers combine to yield chains of cytc-sclx8 -cytc-pclx6-pclx6 repeating units. These supramolecular copolymer units pack together, via a protein-protein interface, to yield a porous dendrite-like assembly. Interestingly, the tri-component framework has features in common with previously reported structures of cytc in complex with pclx6 or sclx8 . Known protein-calixarene ‘building blocks’ combine in novel ways to yield the tri-component assembly, highlighting the versatility of calixarene molecular glues in protein crystal engineering. Graphical abstract
{"title":"Protein-macrocycle framework engineering: supramolecular copolymerisation with two disparate calixarenes","authors":"N. M. Mockler, S. Engilberge, M. Rennie, C. Raston, P. B. Crowley","doi":"10.1080/10610278.2021.1935946","DOIUrl":"https://doi.org/10.1080/10610278.2021.1935946","url":null,"abstract":"ABSTRACT Water soluble calixarenes are versatile mediators of protein assembly, including the fabrication of crystalline frameworks. Here, we report the X-ray crystal structure of cytochrome c (cytc) co-crystallised with two different calixarenes: phosphonato-calix[6]arene (pclx6 ) and sulfonato-calix[8]arene (sclx8 ). Each calixarene type acts as an independent molecular glue that mediates cytc dimers within the crystal. The calixarene-mediated dimers combine to yield chains of cytc-sclx8 -cytc-pclx6-pclx6 repeating units. These supramolecular copolymer units pack together, via a protein-protein interface, to yield a porous dendrite-like assembly. Interestingly, the tri-component framework has features in common with previously reported structures of cytc in complex with pclx6 or sclx8 . Known protein-calixarene ‘building blocks’ combine in novel ways to yield the tri-component assembly, highlighting the versatility of calixarene molecular glues in protein crystal engineering. Graphical abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"30 1","pages":"122 - 128"},"PeriodicalIF":3.3,"publicationDate":"2021-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89101503","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 : 2021-04-03DOI: 10.1080/10610278.2021.1944632
L. Tsymbal, R. Rodik, O. Danylyuk, K. Suwińska, J. Lipkowski, V. Kalchenko, Y. D. Lampeka
ABSTRACT Two new derivatives of calix[4]arene bearing on the upper rim 2-thiopenyl (Thicalix) or 2-pyridyl (Pycalix) Schiff-base substituents have been synthesised and characterised by IR, NMR, MS, and single crystal X-ray diffraction techniques. It was shown that the interaction of Thicalix with the copper(II) and palladium(II) ions is accompanied by hydrolysis of the azomethine bonds with subsequent oxidation of the aminophenolic fragment to diquinone Diquin, while the reaction of potassium tetrachloropalladate(II) with Pycalix results in the formation of metallocompex with 1:2 calix[4]arene/Pd(II) ratio. The single crystal X-ray diffraction analysis of Thicalix (1), the complex [(PdCl2)2(Pycalix)] (2) and Diquin (3) revealed that all compounds form molecular crystals as a result of numerous supramolecular interactions involving C − H···O, C − H···Cl, and C − H···π contacts. For 1 and 3 such interactions result in formation of dimers, while in 2 the dodecanuclear palladium aggregates composed of six calix[4]arene moieties are formed. Graphical Abstract1
{"title":"Supramolecular interactions in the heteroarylimine-substituted calix[4]arenes: the formation of cyclic dodecanuclear palladium aggregates","authors":"L. Tsymbal, R. Rodik, O. Danylyuk, K. Suwińska, J. Lipkowski, V. Kalchenko, Y. D. Lampeka","doi":"10.1080/10610278.2021.1944632","DOIUrl":"https://doi.org/10.1080/10610278.2021.1944632","url":null,"abstract":"ABSTRACT Two new derivatives of calix[4]arene bearing on the upper rim 2-thiopenyl (Thicalix) or 2-pyridyl (Pycalix) Schiff-base substituents have been synthesised and characterised by IR, NMR, MS, and single crystal X-ray diffraction techniques. It was shown that the interaction of Thicalix with the copper(II) and palladium(II) ions is accompanied by hydrolysis of the azomethine bonds with subsequent oxidation of the aminophenolic fragment to diquinone Diquin, while the reaction of potassium tetrachloropalladate(II) with Pycalix results in the formation of metallocompex with 1:2 calix[4]arene/Pd(II) ratio. The single crystal X-ray diffraction analysis of Thicalix (1), the complex [(PdCl2)2(Pycalix)] (2) and Diquin (3) revealed that all compounds form molecular crystals as a result of numerous supramolecular interactions involving C − H···O, C − H···Cl, and C − H···π contacts. For 1 and 3 such interactions result in formation of dimers, while in 2 the dodecanuclear palladium aggregates composed of six calix[4]arene moieties are formed. Graphical Abstract1","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"37 1","pages":"129 - 142"},"PeriodicalIF":3.3,"publicationDate":"2021-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79895920","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 : 2021-04-03DOI: 10.1080/10610278.2021.1917574
Kai Liu, Huijun Liu, Liuxing Li, Wei Li, Juan Liu, Ting Tang
ABSTRACT β-cyclodextrin(β-CD) was immobilised onto mesoporous silica using 1,1′-carbonyldiimidazole and tetraethyl orthosilicate as raw materials to construct adsorbent in dye wastewater treatment. The mesoporous structure of β-CD@SiO2-1 was characterised by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), specific surface area measurement (BET), thermogravimetric (TG) and scanning electron microscopy (SEM). The adsorption experiments were studied by response surface method (RSM) to optimise various parameters such as initial concentration, contact time and adsorbent dosage on the adsorption property of β-CD@SiO2-1 to methyl violet. The optimum process conditions were initial concentration 34 mg/L, contact time 13 h and adsorbent dose 5 mg. The adsorption rates correspond to the pseudo-second-order kinetic model. The adsorption isotherm was suited to the Langmuir isotherm model. The thermodynamic parameters (ΔG°, ΔH°, ΔS°) were obtained. As a result, it was found that the adsorption process was exothermic and spontaneous. GRAPHICAL ABSTRACT
{"title":"Adsorption of methyl violet from aqueous solution using β-cyclodextrin immobilised onto mesoporous silica","authors":"Kai Liu, Huijun Liu, Liuxing Li, Wei Li, Juan Liu, Ting Tang","doi":"10.1080/10610278.2021.1917574","DOIUrl":"https://doi.org/10.1080/10610278.2021.1917574","url":null,"abstract":"ABSTRACT β-cyclodextrin(β-CD) was immobilised onto mesoporous silica using 1,1′-carbonyldiimidazole and tetraethyl orthosilicate as raw materials to construct adsorbent in dye wastewater treatment. The mesoporous structure of β-CD@SiO2-1 was characterised by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), specific surface area measurement (BET), thermogravimetric (TG) and scanning electron microscopy (SEM). The adsorption experiments were studied by response surface method (RSM) to optimise various parameters such as initial concentration, contact time and adsorbent dosage on the adsorption property of β-CD@SiO2-1 to methyl violet. The optimum process conditions were initial concentration 34 mg/L, contact time 13 h and adsorbent dose 5 mg. The adsorption rates correspond to the pseudo-second-order kinetic model. The adsorption isotherm was suited to the Langmuir isotherm model. The thermodynamic parameters (ΔG°, ΔH°, ΔS°) were obtained. As a result, it was found that the adsorption process was exothermic and spontaneous. GRAPHICAL ABSTRACT","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"22 1","pages":"107 - 121"},"PeriodicalIF":3.3,"publicationDate":"2021-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73098832","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 In order to assess the electrical response of the BC3 nanosheets to megazol, computations according to the density functional theory (DFT) have been done. Pristine BC3 is determined to have a notable trend towards the megazol molecules. For the most stable configuration, the adsorption energy is approximately −20.7 kcal/mol. Megazol adsorption makes a noticeable decrease in the gap of HOMO (highest occupied molecular orbital) -LUMO (lowest unoccupied molecular orbital) BC3 nanosheets (from 1.45 to 0.75 V), thereby enhancing the electrical conductivity, which means the BC3 can be a proper choice for megazol detection and electronic sensor applications. Additionally, megazol adsorption has affected the work function of BC3, which remarkably shifts the current of field electron emission from its level, suggesting it for detecting megazol as a function-based sensor. Also, BC3 has the benefit of a short recovery time of approximately 7.72 ms for megazol desorption. Graphical Abstract
{"title":"Quantum chemical study on the adsorption of megazol drug on the pristine BC3 nanosheet","authors":"Peilong Xu, Jiyin Cao, Cheng Yin, Longting Wang, Liang Wu","doi":"10.1080/10610278.2021.1938049","DOIUrl":"https://doi.org/10.1080/10610278.2021.1938049","url":null,"abstract":"ABSTRACT In order to assess the electrical response of the BC3 nanosheets to megazol, computations according to the density functional theory (DFT) have been done. Pristine BC3 is determined to have a notable trend towards the megazol molecules. For the most stable configuration, the adsorption energy is approximately −20.7 kcal/mol. Megazol adsorption makes a noticeable decrease in the gap of HOMO (highest occupied molecular orbital) -LUMO (lowest unoccupied molecular orbital) BC3 nanosheets (from 1.45 to 0.75 V), thereby enhancing the electrical conductivity, which means the BC3 can be a proper choice for megazol detection and electronic sensor applications. Additionally, megazol adsorption has affected the work function of BC3, which remarkably shifts the current of field electron emission from its level, suggesting it for detecting megazol as a function-based sensor. Also, BC3 has the benefit of a short recovery time of approximately 7.72 ms for megazol desorption. Graphical Abstract","PeriodicalId":22084,"journal":{"name":"Supramolecular Chemistry","volume":"4 1","pages":"63 - 69"},"PeriodicalIF":3.3,"publicationDate":"2021-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90376036","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}
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