Journal of Inclusion Phenomena and Macrocyclic Chemistry最新文献_第2页

Trans-to-cis isomerization of a platinum(II) complex with two triphosphine ligands via coordination with gold(I) ions 带有两个三膦配体的铂(II)配合物通过与金(I)离子配位实现反式-顺式异构化

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-05-10 DOI: 10.1007/s10847-024-01228-2

Kazuki Nagasato, Taichi Baba, Hayato Soma, Nobuto Yoshinari

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Kinetics and thermodynamics of β-cyclodextrin-NH2/β-carotene complexation: how much energy is required to include a hydrophobic group in the macrocycle cavity? β-环糊精-NH2/β-胡萝卜素复合物的动力学和热力学：在大环空腔中加入疏水基团需要多少能量？

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-05-03 DOI: 10.1007/s10847-024-01240-6

Yara Luiza Coelho, Hauster Maximiler Campos de Paula, Lívia Neves Santa Rosa, Isabela Araujo Marques, Nícolas Glanzmann, Camilla Fonseca Silva, Adilson David da Silva, Clebio Soares Nascimento, Ana Clarissa dos Santos Pires, Luis Henrique Mendes da Silva

{"title":"Kinetics and thermodynamics of β-cyclodextrin-NH2/β-carotene complexation: how much energy is required to include a hydrophobic group in the macrocycle cavity?","authors":"Yara Luiza Coelho, Hauster Maximiler Campos de Paula, Lívia Neves Santa Rosa, Isabela Araujo Marques, Nícolas Glanzmann, Camilla Fonseca Silva, Adilson David da Silva, Clebio Soares Nascimento, Ana Clarissa dos Santos Pires, Luis Henrique Mendes da Silva","doi":"10.1007/s10847-024-01240-6","DOIUrl":"https://doi.org/10.1007/s10847-024-01240-6","url":null,"abstract":"To improve the efficiency of cyclodextrins as carotenoid carriers, the kinetics and thermodynamics of the inclusion complex formation between modified β-cyclodextrin (βCD-NH2) and β-carotene (βCT) were studied using surface plasmon resonance (SPR) at pH 7.4 and theoretical calculations. The observed dissociation rate of the [βCD-NH2/βCT]° inclusion complex is small ((2.59times 1{0}^{-1} {text{s}}^{-1})), indicating that βCD-NH2 only interacted with the βCT ionone group to form inclusion complex. The βCD-NH2/βCT binding constant is (2.80times 1{0}^{4} text{L} {text{m}text{o}text{l}}^{-1}) (at 298.15 K), and its temperature dependence indicates that the [βCD-NH2/βCT]° formation is driven by hydrophobic interactions (({Delta }H^circ = 28.83 text{k}text{J} text{m}text{o}{text{l}}^{-1}) and (T{Delta }S^circ = 54.21 text{k}text{J} text{m}text{o}{text{l}}^{-1})) caused mainly by the βCT end group desolvation. In contrast, the formation of the [βCD-NH2/βCT]‡ activated complex via association between free molecules and dissociation of [βCD-NH2/βCT]° occurred with the overcoming of an energy barrier ((E_{a}^{ddag } = 40.77~{text{kJ mol}}^{{ - 1}} ~) and ({E}_{d}^{ddag}=11.94 text{k}text{J} text{m}text{o}{text{l}}^{-1})) and decrease in entropy ((T{varDelta S}_{a}^{ddag}=-11.70 text{k}text{J} text{m}text{o}{text{l}}^{-1}) and (T{varDelta S}_{d}^{ddag}=- 65.92 text{k}text{J} text{m}text{o}{text{l}}^{-1})).","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140889001","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

Probing the interaction of ciprofol and human serum albumin using multiple spectroscopies 利用多重光谱探究环丙氟哌酸与人血清白蛋白的相互作用

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-04-18 DOI: 10.1007/s10847-024-01241-5

Qiao Pan, Chengfeng Yao, Yulin Zhu, Shujun Shang

{"title":"Probing the interaction of ciprofol and human serum albumin using multiple spectroscopies","authors":"Qiao Pan, Chengfeng Yao, Yulin Zhu, Shujun Shang","doi":"10.1007/s10847-024-01241-5","DOIUrl":"https://doi.org/10.1007/s10847-024-01241-5","url":null,"abstract":"The interaction between ciprofol and human serum albumin (HSA) was studied using spectroscopy-based approaches at different temperatures under simulated physiological conditions in vitro. Quenching of intrinsic Trp fluorescence of HSA with increasing ciprofol concentration is the actuating tool in the analysis. Experimental results proved that ciprofol quenched the intrinsic fluorescence of HSA through a static quenching mechanism. The thermodynamic parameters (ΔG = -2.35 × 104 J·mol−1, ΔS = -131 J·mol−1·K−1, and ΔH = -6.39 × 104 J·mol−1 at 310 K), binding sites (n = 0.83), and binding constant (KA = 9.12 × 103 M−1) indicated that hydrogen bond and van der Waals forces played a major role in the HSA-ciprofol association with weak binding force. Furthermore, the circular dichroism, synchronous, and three-dimensional fluorescence spectral results indicated adaptive structural changes of HSA in the presence of ciprofol. In addition, the effect of some common metal ions on the binding between ciprofol and HSA was examined, and Fe3+ and Hg2+ were proven to help prolong the storage time and improve the drug efficacy. The study provides accurate and full basic data for clarifying the binding mechanisms of ciprofol with HSA and helps understand its effect on protein function during the blood transportation process and activity in vivo.","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140609056","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

Li-selective calix[4]arene with trialkyl-monoacetic acid groups: effect of three alkyl branches and t-octyl groups at p-position on selectivity for Li extraction 具有三烷基单乙酸基团的锂选择性钙[4]炔：三个烷基分支和 p 位 t-辛基对锂萃取选择性的影响

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-04-16 DOI: 10.1007/s10847-024-01233-5

Keisuke Ohto, Hirotoshi Sadamatsu, Takuya Hanada, Shintaro Morisada, Hidetaka Kawakita

引用次数: 0

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":"https://doi.org/10.1007/s10847-024-01238-0","url":null,"abstract":"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 KReO4 to give the complex [UO2(L)(OH)(H2O)](ReO4) (1). This compound crystallizes as a cationic, monoperiodic coordination polymer with ReO4– 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, ReO4– 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 ReO4–, a surrogate for the radioactive TcO4–, an anion of environmental relevance.<h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>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.\u0000","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":"https://doi.org/10.1007/s10847-024-01230-8","url":null,"abstract":"Two new lanthanide complexes with the general formula [Ln(hqtsc)2Cl], where Ln = Eu3+/Tb3+ 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, 1H NMR, 13C 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 ML2H2, ML2H1, ML2, ML2H−1, and ML2H−2. 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 H2PO4− (orange/yellow→, colorless) and CN− (orange/yellow → red). The DFT studies were also carried out to establish the structure, bonding, and sensing mechanism of the complexes.","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

{"title":"Factors affecting the effectiveness of intravesical injection of botulinum toxin A in females with overactive bladder","authors":"","doi":"10.1007/s10847-024-01236-2","DOIUrl":"https://doi.org/10.1007/s10847-024-01236-2","url":null,"abstract":"<h3>Abstract</h3> 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.","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":"https://doi.org/10.1007/s10847-024-01237-1","url":null,"abstract":"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.","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

{"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":"","doi":"10.1007/s10847-024-01223-7","DOIUrl":"https://doi.org/10.1007/s10847-024-01223-7","url":null,"abstract":"<h3>Abstract</h3> 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−1, with a 1:1 stoichiometry for Zn2+–L interactions, was established. Additionally, a low detection limit of 2.51 × 10−8 M and a rapid response time were observed. Furthermore, the chemical inputs of Zn2+ and Cu2+ ions meet the conditions of an INHIBIT molecular logic gate.","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