Journal of Inclusion Phenomena and Macrocyclic Chemistry最新文献_第3页

Coordination competency of a flexible polyfunctional tripodal framework: an insight on solution thermodynamics and DFT studies 柔性多官能团三元框架的配位能力：溶液热力学和 DFT 研究的启示

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-04-15 DOI: 10.1007/s10847-024-01229-1

Shalini Singh, B. K. Kanungo, Minati Baral

引用次数: 0

Perrhenate anion encapsulation in a uranyl ion–zwitterionic dicarboxylate coordination polymer 将铼酸阴离子封装在铀酰离子--齐聚物二羧酸配位聚合物中

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-04-11 DOI: 10.1007/s10847-024-01238-0

Sotaro Kusumoto, Youssef Atoini, Yoshihiro Koide, Shinya Hayami, Yang Kim, Jack Harrowfield, Pierre Thuéry

{"title":"Perrhenate anion encapsulation in a uranyl ion–zwitterionic dicarboxylate coordination polymer","authors":"Sotaro Kusumoto, Youssef Atoini, Yoshihiro Koide, Shinya Hayami, Yang Kim, Jack Harrowfield, Pierre Thuéry","doi":"10.1007/s10847-024-01238-0","DOIUrl":"10.1007/s10847-024-01238-0","url":null,"abstract":"<div><p>The zwitterionic dicarboxylate 1,1′-[(2,3,5,6-tetramethylbenzene-1,4-diyl)bis(methylene)]bis(pyridin-1-ium-4-carboxylate) (L) has been reacted with uranyl nitrate under solvo-hydrothermal conditions and in the presence of KReO<sub>4</sub> to give the complex [UO<sub>2</sub>(L)(OH)(H<sub>2</sub>O)](ReO<sub>4</sub>) (<b>1</b>). This compound crystallizes as a cationic, monoperiodic coordination polymer with ReO<sub>4</sub><sup>–</sup> as a simple counterion. The daisy-chain polymer is based on dinuclear rings built by the convergent zwitterionic ligands, these rings being linked to one another by double hydroxide bridges. In addition to a Coulombic interaction with a pyridinium ring, ReO<sub>4</sub><sup>–</sup> is involved in one OH(water)⋅⋅⋅O and four CH⋅⋅⋅O interactions, and it is thus nestled in a cavity formed by three chains, seemingly with some selectivity over nitrate and chloride anions also present in the reaction mixture. This result illustrates the interest of zwitterionic dicarboxylates in building cationic assemblies able to trap ReO<sub>4</sub><sup>–</sup>, a surrogate for the radioactive TcO<sub>4</sub><sup>–</sup>, an anion of environmental relevance.</p><h3>Graphical abstract</h3><p>A zwitterionic dicarboxylate ligand was reacted with the uranyl ion to generate a cationic, daisychain coordination polymer including perrhenate as counterion. Examination of the Hirshfeld surface of the anion allows for an analysis of the weak interactions involved.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140585185","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}

引用次数: 0

Thermodynamics, optical properties, and coordination of lanthanoids with hydroxyquinolate functionalised receptor 镧系植物与羟基苯酚功能化受体的热力学、光学特性和配位

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-04-10 DOI: 10.1007/s10847-024-01230-8

Neha Kumari, Minati Baral, Dinesh Kumar, B. K. Kanungo

{"title":"Thermodynamics, optical properties, and coordination of lanthanoids with hydroxyquinolate functionalised receptor","authors":"Neha Kumari, Minati Baral, Dinesh Kumar, B. K. Kanungo","doi":"10.1007/s10847-024-01230-8","DOIUrl":"10.1007/s10847-024-01230-8","url":null,"abstract":"<div><p>Two new lanthanide complexes with the general formula [Ln(hqtsc)<sub>2</sub>Cl], where Ln = Eu<sup>3+</sup>/Tb<sup>3+</sup> and hqtsc is (E)-2-((8-hydroxyquinolin-2-yl)methylene)hydrazine-1-carbothioamide have been synthesized. The structures of the complexes have been elucidated through IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR and HR-mass spectroscopy. The coordination behavior of the ligand was investigated with proton and two trivalent lanthanides, Eu(III) and Tb(III), by potentiometric and spectrophotometric methods in a highly aqueous medium. The studies reveal that the two lanthanides form complexes of the type ML<sub>2</sub>H<sub>2</sub>, ML<sub>2</sub>H<sub>1</sub>, ML<sub>2</sub>, ML<sub>2</sub>H<sub>−1,</sub> and ML<sub>2</sub>H<sub>−2</sub>. The high formation constants of ML with log β = 26.55 and 27.13 indicate that these complexes will become promising candidates for chelation therapy, radioimmunotherapy, and other biomedical applications. Further, the change in colour and electronic spectra of the complexes in the presence of anions showed the selective colorimetric sensing ability towards H<sub>2</sub>PO<sub>4</sub><sup>−</sup> (orange/yellow→, colorless) and CN<sup>−</sup> (orange/yellow → red). The DFT studies were also carried out to establish the structure, bonding, and sensing mechanism of the complexes.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140585270","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}

引用次数: 0

Factors affecting the effectiveness of intravesical injection of botulinum toxin A in females with overactive bladder 影响膀胱过度活动症女性膀胱内注射 A 型肉毒毒素疗效的因素

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-04-07 DOI: 10.1007/s10847-024-01236-2

Kyoungha Jang, Dong Gil Shin, Wooseop Seong, Seunghyeon Kim, Tae Nam Kim, Jeong Zoo Lee, Yangkyu Park, Hyeon Woo Kim

{"title":"Factors affecting the effectiveness of intravesical injection of botulinum toxin A in females with overactive bladder","authors":"Kyoungha Jang, Dong Gil Shin, Wooseop Seong, Seunghyeon Kim, Tae Nam Kim, Jeong Zoo Lee, Yangkyu Park, Hyeon Woo Kim","doi":"10.1007/s10847-024-01236-2","DOIUrl":"10.1007/s10847-024-01236-2","url":null,"abstract":"<div><p>The objective of this study is to examine the determinants influencing the efficacy of intravesical administration of botulinum toxin A (BoNT-A) in patients suffering from overactive bladder (OAB). The study included 32 females diagnosed with OAB, with or without urge urinary incontinence. All participants underwent BoNT-A injections (100 units) at the posterior bladder wall (20 points) from our institution between March 2017 and June 2020. Clinical data was gathered, and the severity of OAB was evaluated both before and four weeks following the procedure utilizing the International Consultation on Incontinence Modular Questionnaire-Urinary Incontinence (ICIG-UI) and the Overactive Bladder Symptom Score (OABSS). The study also looked into the status of medication for OAB four weeks after the procedure. Total mean ICIQ-UI and OABSS were significantly improved four weeks after BoNT-A injection (14.00 ± 3.46 to 7.00 ± 6.82, p < 0.001 and 11.40 ± 5.01 to 6.40 ± 1.25, p = 0.009, respectively). Younger age, longer OAB duration, and ongoing OAB medication were the factors that significantly improved the effectiveness of BoNT-A injection.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140585377","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}

引用次数: 0

Predictors for symptom improvement in overactive bladder patients treated with imidafenacin 咪达那新治疗膀胱过度活动症患者症状改善的预测因素

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-04-05 DOI: 10.1007/s10847-024-01237-1

Wooseop Seong, Dong Gil Shin, Seunghyeon Kim, Tae Nam Kim, Jeong Zoo Lee, Yangkyu Park, Kyoungha Jang, Hyeon Woo Kim

{"title":"Predictors for symptom improvement in overactive bladder patients treated with imidafenacin","authors":"Wooseop Seong, Dong Gil Shin, Seunghyeon Kim, Tae Nam Kim, Jeong Zoo Lee, Yangkyu Park, Kyoungha Jang, Hyeon Woo Kim","doi":"10.1007/s10847-024-01237-1","DOIUrl":"10.1007/s10847-024-01237-1","url":null,"abstract":"<div><p>The objective of this investigation is to ascertain the determinants associated with the amelioration of symptoms in female patients suffering from overactive bladder (OAB) following treatment with 0.2 mg of imidafenacin. The study included 66 female OAB patients who had been prescribed a daily dose of 0.2 mg imidafenacin for a minimum of 3 months, spanning from March 2018 to June 2020. Various clinical parameters including age, coexistence of additional voiding symptoms, prior history of urological surgeries, and responses to the Overactive Bladder Symptom Score questionnaire (OABSS), both pre- and post-initiation of imidafenacin therapy, were evaluated. The mean total OABSS scores recorded before and 3 months subsequent to imidafenacin therapy were 8.36 ± 3.65 and 5.15 ± 3.22, respectively. Following the 3-month course of imidafenacin treatment, there was a statistically significant improvement in both the total OABSS score and the severity of OAB symptoms (p < 0.001 for both). Prior to treatment initiation, Group B (n = 38) exhibited significantly higher total OABSS scores and subscores compared to Group A (n = 28) (p < 0.05). Multivariable analysis identified the OABSS subscores for items 1 and 3 prior to treatment as significant predictors for the improvement of OAB severity subsequent to imidafenacin therapy (p = 0.046, OR 3.10, 95% CI 1.019–9.440 and p < 0.001, OR 2.77, 95% CI 1.671–4.587, respectively). Consequently, imidafenacin emerges as an efficacious therapeutic agent for alleviating OAB severity in female patients, with the OABSS subscores for items 1 and 3 prior to treatment initiation holding potential utility in predicting the efficacy of imidafenacin in managing OAB.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140585376","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}

引用次数: 0

Development of a highly selective and sensitive fluorescent chemosensory for zinc ion detection in aqueous ethanol solution: synthesis of a new aza-oxo macrocycle using high-dilution condition method 开发用于检测乙醇水溶液中锌离子的高选择性、高灵敏度荧光化学传感器：利用高稀释条件法合成新的杂氮-氧代大环

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-04-01 DOI: 10.1007/s10847-024-01223-7

Reza Azadbakht, Hasti Moshiri, Mostafa Koolivand

{"title":"Development of a highly selective and sensitive fluorescent chemosensory for zinc ion detection in aqueous ethanol solution: synthesis of a new aza-oxo macrocycle using high-dilution condition method","authors":"Reza Azadbakht, Hasti Moshiri, Mostafa Koolivand","doi":"10.1007/s10847-024-01223-7","DOIUrl":"10.1007/s10847-024-01223-7","url":null,"abstract":"<div><p>Utilizing a high-dilution condition method, a new aza-oxo macrocycle, referred to as L, was synthesized as a chemosensor. The chemosensing capabilities of L were thoroughly investigated using fluorescence studies. The obtained results demonstrate that L effectively responds to the presence of zinc ions, leading to a significant increase in fluorescence intensity. Comparative studies were conducted to investigate the impact of various metal cations, including Cr(III), Mn(II), Fe(II), Fe(III), Co(II), Ni(II), Cu(I), Cu(II), Zn(II), Cd(II), Gd(III), Na(I), K(I), Ba(II), Mg(II), Al(III), Pb(II), Sn(II), Hg(II), and Ag(I), on the fluorescence of L in an aqueous ethanol environment. During our investigations, a binding constant value of 7.81 × 105 M<sup>−1</sup>, with a 1:1 stoichiometry for Zn<sup>2+</sup>–L interactions, was established. Additionally, a low detection limit of 2.51 × 10<sup>−8</sup> M and a rapid response time were observed. Furthermore, the chemical inputs of Zn<sup>2+</sup> and Cu<sup>2+</sup> ions meet the conditions of an INHIBIT molecular logic gate.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140585339","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}

引用次数: 0

Formulation and evaluation of multicomponent inclusion complex of cyclosporine A 环孢素 A 多组分包合物的配制和评估

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-03-28 DOI: 10.1007/s10847-024-01225-5

Sadaf Jamal Gilani, Syed Sarim Imam, Raisuddin Ali

{"title":"Formulation and evaluation of multicomponent inclusion complex of cyclosporine A","authors":"Sadaf Jamal Gilani, Syed Sarim Imam, Raisuddin Ali","doi":"10.1007/s10847-024-01225-5","DOIUrl":"10.1007/s10847-024-01225-5","url":null,"abstract":"<div><p>Cyclosporine A (CP) inclusion complex using cyclodextrin (binary) and cyclodextrin with TPGS (ternary) was prepared by the freeze-drying method. The phase solubility study was performed to calculate the solubility parameters. The prepared formulations were evaluated for saturation solubility and drug release studies. The spectroscopy and molecular docking studies were performed to confirm the formation of inclusion complex. The phase solubility results revealed a high stability constant for both binary and ternary samples. A significant enhancement in saturation solubility and dissolution was found in the prepared inclusion complexes. The spectroscopy studies revealed no interaction between the drug and carrier. The molecular docking study displayed the formation of a stable complex with a good docking score. The diffraction pattern showed the conversion of crystalline CP into an amorphous form after the formation of the inclusion complex. The findings were also supported by the saturation solubility study, which showed a significant enhancement in solubility. From the results, it can be concluded that Cyclosporine A inclusion complex using HP βCD with TPGS is an excellent delivery system. Therefore, the prepared delivery systems may be an alternative to the conventional delivery system for enhanced solubility of highly lipophilic drugs.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140324028","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}

引用次数: 0

Conformational investigations on three large dinuclear triple helicates by single crystal X-ray diffraction 通过单晶 X 射线衍射对三种大型双核三螺旋体的构象研究

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-03-21 DOI: 10.1007/s10847-024-01235-3

Kyle J. Howard-Smith, Matthew J. Wallis, James P. Flood, Hyunsung Min, Joseph C. Tadros, Ruoming Tian, Mohan M. Bhadbhade, Christopher E. Marjo, Feng Li

{"title":"Conformational investigations on three large dinuclear triple helicates by single crystal X-ray diffraction","authors":"Kyle J. Howard-Smith, Matthew J. Wallis, James P. Flood, Hyunsung Min, Joseph C. Tadros, Ruoming Tian, Mohan M. Bhadbhade, Christopher E. Marjo, Feng Li","doi":"10.1007/s10847-024-01235-3","DOIUrl":"10.1007/s10847-024-01235-3","url":null,"abstract":"<div><p>Three new dinuclear triple helicates were synthesised using a ditopic semi-rigid pyridylylimine ligand <b>L</b>, separated by a diphenoxy-biphenol spacer providing considerable length to the backbone. <b>L</b> and the new large dinuclear triple helicate complexes [Fe<sub>2</sub><b>L</b><sub>3</sub>](BF<sub>4</sub>)<sub>4</sub> (<b>1</b>), [Ni<sub>2</sub><b>L</b><sub>3</sub>](BF<sub>4</sub>)<sub>4</sub> (<b>2</b>) and [Zn<sub>2</sub><b>L</b><sub>3</sub>](BF<sub>4</sub>)<sub>4</sub> (<b>3</b>) have been characterised in solution and solid state. Single crystal X-ray diffraction was used to investigate overall complex ion shape as the coordination sphere was modulated by metal ion selection. Small differences in complex shape were seen to arise due to subtle distortions in coordination sphere environments. This study sheds light on how the length and twist of dinuclear triple helicates can be tuned by selection of coordinating metal ion.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10847-024-01235-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140202667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ion sensing with a calix[4]arene bifunctional receptor with thiosemicarbazone moieties and naphthalene chromophore 带有硫代氨基甲酸盐分子和萘发色团的钙[4]炔双功能受体的离子传感技术

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-03-20 DOI: 10.1007/s10847-024-01239-z

Horacio Gómez-Machuca, Cinthia Quiroga-Campano, Hernán Pessoa-Mahana, Claudio Saitz

{"title":"Ion sensing with a calix[4]arene bifunctional receptor with thiosemicarbazone moieties and naphthalene chromophore","authors":"Horacio Gómez-Machuca, Cinthia Quiroga-Campano, Hernán Pessoa-Mahana, Claudio Saitz","doi":"10.1007/s10847-024-01239-z","DOIUrl":"10.1007/s10847-024-01239-z","url":null,"abstract":"<div><p>We have developed a chemosensor using calix[4]arene, which features a thiosemicarbazone binding/sensing unit and a naphthalene chromogenic group. Our objective was to understand the intricate binding affinity of these chemosensors towards a diverse range of anions and cations using UV–Visible, HNMR and IR spectroscopic techniques. We showed that this chemosensor can form complexes with Ag(I) or Cu (II) and to detect CN<sup>−</sup> or F<sup>−</sup> ions by deprotonation of thiosemicarbazone. To understand the behavior of these interactions, our analysis provides information on the interaction patterns between the receptors and the ions. The sulfur and imine nitrogen on the thiosemicarbazone substituent are vital sites of engagement for cation ions, as evidenced by the observed changes in IR. HNMR studies for interaction with anions indicate the involvement of the thiosemicarbazone hydrogens. Interactions taking place during complex formation with cations lead to changes in the color of the solution or solid complex, easy to follow by UV–Vis spectrocopy. Our study improves the understanding of molecular recognition of this chemosensor, highlighting its potential for ion- selective detection.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140202650","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}

引用次数: 0

Inclusion of 1,8-octanediphosphonic acid in cucurbit[7]uril: a combined solid state and solution study 葫芦[7]脲中的 1,8-辛二膦酸：固态和溶液综合研究

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-03-19 DOI: 10.1007/s10847-024-01227-3

Marina Cagnes, Inna Karatchevtseva, Alexander Angeloski, Yingjie Zhang

{"title":"Inclusion of 1,8-octanediphosphonic acid in cucurbit[7]uril: a combined solid state and solution study","authors":"Marina Cagnes, Inna Karatchevtseva, Alexander Angeloski, Yingjie Zhang","doi":"10.1007/s10847-024-01227-3","DOIUrl":"10.1007/s10847-024-01227-3","url":null,"abstract":"<div><p>The inclusion of 1,8-octanediphosphonic acid (OA) in cucurbit[7]uril (Q[7]) has been investigated <i>via</i> a combined solid state and solution study. The reaction of OA and Q[7] in water led to the formation of a 1:1 inclusion compound <b>1</b> as a white crystalline material. Synchrotron single crystal X-ray diffraction revealed its detailed structure validated by Raman spectroscopy with featured vibrational modes from both organic molecules. Subsequent <sup>1</sup>H solution NMR data supported the formation of a 1:1 inclusion complex in aqueous solution. The changes in NMR chemical shifts are consistent with the solid-state orientation in which the phosphonic acid groups of OA are oriented externally to the carbonyl portals and the intervening alkyl chain lies within the cavity of Q[7]. However, the solution study also inferred possible formations of other complexes in solution. This work highlighted the advantage of combining solid state and solution studies to reveal the detailed molecular interactions involving complex inclusion phenomena.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140170489","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}

引用次数: 0