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

(4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1’-cyclohexane-1,3-dioxolane: an investigation of its host ability and selectivity behaviour in crystallization experiments from four heterocyclic guest solvents （4R,5R）-双（二苯基羟甲基）-2-螺-1 ' -环己烷-1,3-二恶索烷：四种杂环客体溶剂结晶实验中宿主能力和选择性行为的研究

IF 1.6 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-04-03 DOI: 10.1007/s10847-025-01298-w

Daniella L. Recchia, Benita Barton, Eric C. Hosten

{"title":"(4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1’-cyclohexane-1,3-dioxolane: an investigation of its host ability and selectivity behaviour in crystallization experiments from four heterocyclic guest solvents","authors":"Daniella L. Recchia, Benita Barton, Eric C. Hosten","doi":"10.1007/s10847-025-01298-w","DOIUrl":"10.1007/s10847-025-01298-w","url":null,"abstract":"<div><p>The present investigation demonstrated that (4<i>R</i>,5<i>R</i>)-bis(diphenylhydroxymethyl)-2-spiro-1’-cyclohexane-1,3-dioxolane (TADDOL6) possessed the ability to form 1:1 host: guest inclusion compounds with dioxane, piperidine, morpholine and pyridine (DIO, PIP, MOR, PYR) when it was crystallized from these solvents. When mixed guests were employed as the crystallization solvent, TADDOL6 showed an overwhelming preference for PYR, and the host selectivity was noted to be in the order PYR > PIP > MOR > DIO. From SCXRD analyses, it was observed that each of the four organic guest solvents was held in the crystal of the complex by means of classical hydrogen bonding interactions with the host species, with PIP experiencing, statistically, the shorter of these. Hirshfeld surfaces were also considered and demonstrated that the preferred guest species, PYR, experienced the broader range of short contact types. Finally, thermal analyses also explained the host selectivity order: PYR, which was most favoured by TADDOL6, formed a complex with the greatest thermal stability of the four, while the complex with DIO, which was least preferred by TADDOL6, possessed the lowest stability.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 7-8","pages":"447 - 462"},"PeriodicalIF":1.6,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10847-025-01298-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145161058","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

Multi-equilibrium methods for treating the inclusion of morin, quercetin, luteolin, and kaempferol flavonoids into β-cyclodextrin 多平衡法处理桑皮素、槲皮素、木犀草素、山奈酚类黄酮包合β-环糊精

IF 1.6 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-04-02 DOI: 10.1007/s10847-025-01300-5

Gleicy Teixeira, Erick F. Lacerda, Marcio Pozzobon Pedroso, Hélio F. Dos Santos, Cleber P. A. Anconi

{"title":"Multi-equilibrium methods for treating the inclusion of morin, quercetin, luteolin, and kaempferol flavonoids into β-cyclodextrin","authors":"Gleicy Teixeira, Erick F. Lacerda, Marcio Pozzobon Pedroso, Hélio F. Dos Santos, Cleber P. A. Anconi","doi":"10.1007/s10847-025-01300-5","DOIUrl":"10.1007/s10847-025-01300-5","url":null,"abstract":"<div><p>Various contributions have been reported concerning the inclusion of flavonoids in cyclodextrins (CDs). The association constant (<span>({K}_{ass})</span>) is one fundamental aspect for characterizing inclusion compounds. Distinct association constants were obtained depending on the experimental technique or the pH for flavonoids included in CD. In the present study, we applied two recently developed theoretical methodologies based on a multi-equilibrium approach to estimate the <span>({K}_{ass})</span> for the inclusion of the neutral flavonoids morin (MOR), quercetin (QUE), luteolin (LUT), and kaempferol (KAE) into β-cyclodextrin (β-CD). The analysis of the experimental data for an appropriate pH range, in conjunction with the theoretical response from quantum GFN2-xTB and classical molecular dynamics, addressed the following stability order: LUT@β-CD > QUE@β-CD ~ KAE@β-CD. The combined theoretical and experimental data suggest as more representative experimental K<sub>ass</sub> for neutral systems, the following values (in M<sup>−1</sup>): 462 (2020) – 545 (2013) for LUT@β-CD, 398 (2008) for QUE@β-CD, and 375 (2007) for KAE@β-CD. The theoretical information did not align with the experimental data previously published for MOR@β-CD at low pH, indicating the need for further studies.</p><h3>Graphical Abstract</h3>\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":"105 7-8","pages":"433 - 445"},"PeriodicalIF":1.6,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160518","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

Topological architectures enriched by cooperative acetylene coordination 乙炔配合丰富的拓扑结构

IF 1.6 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-04-01 DOI: 10.1007/s10847-025-01297-x

Yuya Domoto

{"title":"Topological architectures enriched by cooperative acetylene coordination","authors":"Yuya Domoto","doi":"10.1007/s10847-025-01297-x","DOIUrl":"10.1007/s10847-025-01297-x","url":null,"abstract":"<div><p>Material chemists have utilized acetylene as a robust, flexible, and easily processable building unit, and such properties could be further extended upon the formation of coordination bonds with metals represented by coinage metal ions (Au(I), Ag(I), and Cu(I)). Furthermore, the simultaneous formation of acetylene coordination and other coordination bonds on the same or adjacent metal centers has been shown to result in unprecedented nanostructures. This review highlights the progress of strategies to construct molecular architectures based on acetylene coordination, including our recent work. Initially, relatively simple supramolecules were reported as heralding the advent of something more complex than conventional unimolecular complexes with acetylene coordination. Learning from their design principles, highly complex molecular topologies have recently emerged as fascinating elements in infinite coordination networks and discrete entangled complexes that exploit the diversity of cooperative acetylene coordination. Our study also demonstrated the self-assembly of coordination polyhedra containing highly entangled three-dimensional (3D) topologies, showing extension to co-crystals, controlled topological chirality, and sequence interconversion of 5-nm class porous architectures regulated by counter anion exchange and side chain effects. The application of cooperative acetylene coordination is still in its infancy but holds promise as a fruitful strategy for the creation of diverse coordination nanomaterials.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 7-8","pages":"377 - 398"},"PeriodicalIF":1.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160699","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

Honoring Dr. Jack MacBean Harrowfield 纪念杰克·麦克宾·哈罗菲尔德博士

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-03-27 DOI: 10.1007/s10847-025-01286-0

Yang Kim, Mauro Mocerino

引用次数: 0

Preface to the special issue of the 13th international symposium on nano & supramolecular chemistry (ISNSC-13) 第十三届国际纳米与超分子化学学术研讨会特刊前言

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-03-24 DOI: 10.1007/s10847-025-01296-y

Yang Kim, Mauro Mocerino

引用次数: 0

Highly stable host-guest complexation of 4-aminoquinoline-based tweezer-type host molecule with chlorin e6 基于4-氨基喹啉的镊子型宿主分子与氯e6的高度稳定的主客体络合

IF 1.6 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-03-20 DOI: 10.1007/s10847-025-01295-z

Yosuke Hisamatsu, Tsunehiko Higuchi, Naoki Umezawa

{"title":"Highly stable host-guest complexation of 4-aminoquinoline-based tweezer-type host molecule with chlorin e6","authors":"Yosuke Hisamatsu, Tsunehiko Higuchi, Naoki Umezawa","doi":"10.1007/s10847-025-01295-z","DOIUrl":"10.1007/s10847-025-01295-z","url":null,"abstract":"<div><p>Host-guest systems that function under physiologically relevant conditions possess considerable potential to contribute to biological and biomedical applications. We previously developed a 4-aminoquinoline (4-AQ)-based tweezer-type host molecule that forms stable complexes with heme and protoporphyrin IX (PPIX) in DMSO/HEPES buffer (pH 7.4) (2:3, v/v), respectively. However, the binding study including the determination of association constants of the 4-AQ-based tweezer-type host molecule under more physiologically relevant conditions was not possible although it was one of the most important parts of our studies. In this paper, we report a new host-guest system based on the 4-AQ-based tweezer-type host molecule and chlorin e6 (Ce6). The 4-AQ-based tweezer-type host molecule formed a highly stable host-guest complex not only in DMSO/HEPES buffer (pH 7.4) (2:3, v/v) but also in more physiologically relevant conditions (HEPES buffer or phosphate-buffered saline, pH 7.4, 1.0% (v/v) DMSO). Their association constants for a 1:1 complex were determined to be 10<sup>6</sup>–10<sup>7</sup> M<sup>− 1</sup> under the investigated aqueous media. These results were first obtained using Ce6 as the guest molecule instead of heme and PPIX because Ce6 at low concentrations preferentially exists in a monomeric form in water at neutral pH. The study findings provide useful information for the future molecular design, evaluation, and applications of host-guest systems between tweezer-type host molecules and their appropriate guest molecules in aqueous media.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 7-8","pages":"421 - 431"},"PeriodicalIF":1.6,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145167111","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

Exploring the electrical and biological aspects of newly synthesized samarium-based macrocyclic complexes with Isatin ligand and it′s derivatives 探索新合成的含Isatin配体的钐基大环配合物及其衍生物的电学和生物学特性

IF 1.6 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-03-07 DOI: 10.1007/s10847-025-01293-1

Krishna Atal, Sushama Kumari, Krishna Kumar Jhankal, Swati Bugalia

{"title":"Exploring the electrical and biological aspects of newly synthesized samarium-based macrocyclic complexes with Isatin ligand and it′s derivatives","authors":"Krishna Atal, Sushama Kumari, Krishna Kumar Jhankal, Swati Bugalia","doi":"10.1007/s10847-025-01293-1","DOIUrl":"10.1007/s10847-025-01293-1","url":null,"abstract":"<div><p>Herein, the electrochemical, luminescent and potential biological properties of a newly synthesized series of macrocyclic complexes of samarium(III) metal ion are described. Macrocycles, Schiff bases and their complexes with metals display several structural and electronic features that allow their vast applications in diverse research fields especially, in medicinal science. The synthesis of luminescent and electrically active complexes containing (1<i>E</i>,15<i>Z</i>)-3,4,6,7,9,10,12,13,14,16-decahydro-2<i>H</i>-[1, 4, 7]trioxa [11, 14]diaza-cycloheptadecino[12, 13-b]indole scaffold is done <i>via</i> template route using isatin or its derivatives i.e., 5-chloroisatin and 5-bromoisatin, and 1,13-diamino-4,7,10-trioxatri-dacane ligand precursors in the presence of Sm(III)nitrate hexa-hydrate salt. The synthesized complexes are found thermally stable up to ~ 230<sup>o</sup>C and after that started to decompose. The structural characterization is done by the <sup>1</sup>H-NMR, electrospray ionization mass, Fourier transform, and ultraviolet-visible spectroscopy. The proposed structure of these complexes was well-matched by the data. Crystalline nature of the reported complexes is confirmed by the existence of sharp narrow peaks in the X-ray diffraction (XRD). The complexes also found electrically active as the cyclic voltammetry conductivity measured by using DMSO solvent. The complexes displayed characteristic luminescence peaks of Sm(III) at ~ 563, ~602 & ~644 nm assigned to <sup>4</sup>G<sub>5/2</sub> →<sup>6</sup>H<sub>5/2</sub>, <sup>4</sup>G<sub>5/2</sub>→ <sup>6</sup>H<sub>7/2</sub>, <sup>4</sup>G<sub>5/2</sub>→ <sup>6</sup>H<sub>9/2</sub> transitions respectively. The biological studies results indicate the remarkable potential of these complexes as antimicrobial and antioxidant agent which may lead the use of these complexes in pharmaceutical field.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 7-8","pages":"409 - 420"},"PeriodicalIF":1.6,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145162957","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

Green nanotechnology: silver nanoparticle synthesis via brewed coffee grounds extract 绿色纳米技术：通过冲泡咖啡渣提取物合成银纳米粒子

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-03-06 DOI: 10.1007/s10847-025-01294-0

Dewi Kurnianingsih Arum Kusumahastuti, Agung Rimayanto Gintu

{"title":"Green nanotechnology: silver nanoparticle synthesis via brewed coffee grounds extract","authors":"Dewi Kurnianingsih Arum Kusumahastuti, Agung Rimayanto Gintu","doi":"10.1007/s10847-025-01294-0","DOIUrl":"10.1007/s10847-025-01294-0","url":null,"abstract":"<div><p>Silver nanoparticles (AgNPs) are increasingly valued for their diverse applications, but traditional preparation methods often involve toxic chemicals, necessitating environmentally friendly alternatives. This study explores a sustainable alternative: the green synthesis of AgNPs using brewed coffee grounds (BCG). BCG, a readily available agricultural byproduct rich in phenolic compounds, particularly chlorogenic acid, acts as a reducing and capping agent, facilitating the sustainable and efficient reduction of silver ions to AgNPs. The preparation process was optimized by varying the pH (6 and 8), impacting nanoparticle size and morphology. Characterizations using UV-Vis spectroscopy, X-ray diffraction, Fourier-transform infrared spectroscopy, energy-dispersive X-ray spectroscopy, and scanning electron microscopy confirmed the formation of crystalline AgNPs with a face-centered cubic structure. The results demonstrate that alkaline conditions (pH 8) yielded smaller, more uniformly distributed AgNPs with superior stability than those prepared at pH 6. This green synthesis method offers a promising approach to producing AgNPs while promoting sustainability and resource efficiency. The study highlights the potential for waste valorization and the development of eco-friendly nanomaterials for various applications.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 3-4","pages":"241 - 247"},"PeriodicalIF":2.3,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835607","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

Correction: AFM and DFT study of diverse self-organization pattern of aminothiacalix[4]arene 修正：AFM和DFT研究了氨基噻唑芳烃不同的自组织模式

IF 1.6 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-03-04 DOI: 10.1007/s10847-025-01292-2

Sergey A. Karalash, Anna A. Botnar, Aleksandr S. Aglikov, Ekaterina A. Muraveva, Dmitry A. Kozodaev, Alexander S. Novikov, Ekaterina V. Skorb, Anton A. Muravev

引用次数: 0

Solution thermodynamics, photophysical, and DFT studies of La(III), and Er(III) chelates with a multifunctional preorganized tripod ligand La（III）和Er（III）螯合物与多功能预组织三脚架配体的溶液热力学、光物理和DFT研究

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-03-03 DOI: 10.1007/s10847-025-01289-x

Rifat Akbar, Jyoti Kandhal, B. K. Kanungo, Minati Baral

{"title":"Solution thermodynamics, photophysical, and DFT studies of La(III), and Er(III) chelates with a multifunctional preorganized tripod ligand","authors":"Rifat Akbar, Jyoti Kandhal, B. K. Kanungo, Minati Baral","doi":"10.1007/s10847-025-01289-x","DOIUrl":"10.1007/s10847-025-01289-x","url":null,"abstract":"<div><p>The interactions of a novel quinoline-based N<sub>3</sub>O<sub>6</sub> polydentate chelator, CYTOM5OX, towards La<sup>3+</sup> and Er<sup>3+</sup> have been examined by solution thermodynamics, coordination behavior, photophysical, and DFT studies. The influence of pH on the complexation behavior has been explored by adopting pH-metry, electronic absorption, and emission spectroscopic techniques. The potentiometric and spectrophotometric studies established six pKa values for CYTOM5OX between 2.8–10. Lanthanide ions form thermodynamically stable complexes with the ligand, giving high formation constants log β<sub>110</sub> = 30–35 and pLn = 20 − 24. Irrespective of the lanthanides used, the monometallic Ln(LH) is the main species formed at neutral pH. The principal coordination sphere contains two and three aqua molecules for La(CYTOM5OX) and Er(CYTOM5OX), respectively, according to time-resolved photoluminescence experiments in an H<sub>2</sub>O and D<sub>2</sub>O solvent at a pH of 7.0. Both absorption and emission studies of these compounds show significant spectral changes. The probe showed simultaneous sensing of La<sup>3+</sup> and Er<sup>3+</sup> ions in the visible range under neutral pH, exhibiting a green fluorescence. To validate the experimental findings, the ground state and excited state theoretical spectra of the species have been computed from DFT-optimized structures using the GGA (BLYP-D3) functional and the PM7-Sparkle energy-minimized geometries at CIS excitation levels using the ZINDO/s approach.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 3-4","pages":"225 - 239"},"PeriodicalIF":2.3,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835584","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