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

AFM and DFT study of diverse self-organization pattern of aminothiacalix[4]arene 氨基噻吩芳烃不同自组织模式的AFM和DFT研究

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-02-19 DOI: 10.1007/s10847-025-01285-1

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

{"title":"AFM and DFT study of diverse self-organization pattern of aminothiacalix[4]arene","authors":"Sergey A. Karalash, Anna A. Botnar, Aleksandr S. Aglikov, Ekaterina A. Muraveva, Dmitry A. Kozodaev, Alexander S. Novikov, Ekaterina V. Skorb, Anton A. Muravev","doi":"10.1007/s10847-025-01285-1","DOIUrl":"10.1007/s10847-025-01285-1","url":null,"abstract":"<div><p>Here we report on the diverse self-assembly behavior of aminothiacalix[4]arene (ATCA) drop-casted or spin-coated onto a silicon substrate. The nanofilms of ATCA feature the picket-fence domains composed of rod-shaped crystals with the mean size of ca. 700 nm, as well as the ornate patterns composed of interdigitating 3.5-µm grooves and periodically alternating ridge-like framework, with the ridge diameter 90 ± 20 nm and ridge spacing of ca. 3.5 μm. DFT calculation of possible ATCA dimers revealed a favorable arrangement of ATCA monomers either in a face parallel fashion expanding into the 1D channel structure or in a face antiparallel fashion affording the 1D zigzag chain structure. UV/Vis spectroscopy and powder X-ray diffraction data provided further evidence to the existence of thermodynamically favorable π-stacked and hydrogen-bonded ATCA associates in solution and solid state.</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":"105 3-4","pages":"133 - 140"},"PeriodicalIF":2.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835651","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

MEMS vibration sensor-based edge AI for machinery fault prediction: feasibility study using a petrochemical plant process simulation facility 基于MEMS振动传感器的边缘人工智能机械故障预测：石化厂过程模拟设施的可行性研究

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-01-22 DOI: 10.1007/s10847-025-01277-1

Daehyeon Ji, Jun Yub Kim, Hyeon Woo Kim, Yangkyu Park

{"title":"MEMS vibration sensor-based edge AI for machinery fault prediction: feasibility study using a petrochemical plant process simulation facility","authors":"Daehyeon Ji, Jun Yub Kim, Hyeon Woo Kim, Yangkyu Park","doi":"10.1007/s10847-025-01277-1","DOIUrl":"10.1007/s10847-025-01277-1","url":null,"abstract":"<div><p>Because of the presence of large quantities of flammable and explosive substances, a petrochemical plant requires artificial intelligence (AI)-based monitoring systems to enhance safety and mitigate accident risks. Herein, we demonstrate the feasibility of using microelectromechanical system (MEMS) vibration sensors in petrochemical plants by experimentally comparing their performance with those of conventional vibration sensors on the basis of the prediction accuracy of a one-dimensional time-series convolutional neural network model. In particular, we established a petrochemical plant process simulation facility to effectively collect anomaly data, which is exceptionally rare in real-world petrochemical plants. The petrochemical plant process simulation facility was employed to simulate fixture looseness, and two types of leak conditions as well as normal operation. Then, a MEMS sensor was used to collect six-axis data from both its accelerometer and gyroscope, while a conventional sensor captured only three-axis data from its accelerometer. When considering single-axis data, the MEMS sensor demonstrated superior classification accuracy (85.46%) compared to the conventional vibration sensor (80.94%). Moreover, when multiaxis data were used, with six and three axes from the MEMS and conventional sensors, respectively, both systems achieved similar performance outcomes (MEMS sensor: 99.91%, conventional sensor: 99.94%). These results indicate that MEMS sensors can effectively complement conventional vibration sensors, offering a cost-effective and scalable approach for monitoring petrochemical plants.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 3-4","pages":"249 - 259"},"PeriodicalIF":2.3,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835563","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

Synthesis, structural characterization, and luminescence properties of zinc(II) coordination polymers containing bis(4-pyridyl)benzylamine 含双（4-吡啶基）苄胺锌（II）配位聚合物的合成、结构表征及发光性能

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-01-15 DOI: 10.1007/s10847-025-01275-3

Ihsan Ullah, Ngoc Tram Anh Le, Kil Sik Min

{"title":"Synthesis, structural characterization, and luminescence properties of zinc(II) coordination polymers containing bis(4-pyridyl)benzylamine","authors":"Ihsan Ullah, Ngoc Tram Anh Le, Kil Sik Min","doi":"10.1007/s10847-025-01275-3","DOIUrl":"10.1007/s10847-025-01275-3","url":null,"abstract":"<div><p>Two new zinc(II) coordination polymers [Zn(bpba)<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>]<sub>n</sub> (<b>1</b>) and [Zn(bpba)(SO<sub>4</sub>)]<sub>n</sub>•2nH<sub>2</sub>O•nDMF (<b>2</b>) were successfully synthesized by reacting zinc(II) ions with bis(4-pyridyl)benzylamine (bpba) containing different counter anions (NO₃<sup>−</sup> and SO<sub>4</sub><sup>2−</sup>). The resulting polymers were fully characterized using various experimental techniques: single-crystal X-ray diffraction analysis, elemental analysis, infrared spectra, ultraviolet/visible spectra, and thermogravimetric analysis. Single-crystal X-ray analyses revealed that the zinc(II) ions in <b>1</b> and <b>2</b> are tetra-coordinated and adopt a distorted tetrahedral geometry. Polymer <b>1</b> exhibits a one-dimensional helical chain structure, which extends into two-dimensional supramolecular networks through hydrogen bonding and C-H•••π interactions. Polymer <b>2</b> adopts a three-dimensional network structure resulting from the coordination of zinc(II) and sulfate ions as well as bpba ligands. An investigation of the solid-state photoluminescence properties of the polymers at room temperature revealed that their emissions were redshifted compared with those of the free ligand, which is attributed to metal-perturbed intra-ligand charge transfer.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 3-4","pages":"149 - 158"},"PeriodicalIF":2.3,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835700","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

ZINC layered hydroxide salt intercalated with vitamin B3: novel slow-release food additive 嵌入维生素B3的氢氧化锌层状盐：新型缓释食品添加剂

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-12-21 DOI: 10.1007/s10847-024-01268-8

Nájila Mikaeli Pauli, Gabriela Oro, Maria Angélica Araujo, Fabio da Silva Lisboa, Ana Caroline Reis Meira, Renata Mello Giona, Ana Cristina Trindade Cursino

{"title":"ZINC layered hydroxide salt intercalated with vitamin B3: novel slow-release food additive","authors":"Nájila Mikaeli Pauli, Gabriela Oro, Maria Angélica Araujo, Fabio da Silva Lisboa, Ana Caroline Reis Meira, Renata Mello Giona, Ana Cristina Trindade Cursino","doi":"10.1007/s10847-024-01268-8","DOIUrl":"10.1007/s10847-024-01268-8","url":null,"abstract":"<div><p>Considering that many vitamins can be easily degraded, developing ways to avoid the degradation process and the availability of these vitamins is essential. Thus, this study aims to use layered zinc hydroxysalt (LHS) as a slow-release option that provides thermal stability for administering vitamins. Two compounds were synthesized, LHS/B3-1, which presented basal spacing of 9.63 Å, corresponding to a vitamin monolayer, and LHS/B3-2, which is a mixture of two phases, one with a basal distance of 9.92 Å and a secondary one with a basal distance of 15.43 Å, corresponding to a vitamin monolayer and bilayer, respectively. After intercalation, an increase of 175 °C in the thermal stability of vitamin B3 was observed, occasioned by the interaction with the layers of the matrix. Vitamin B3 was slowly released from LHS/B3-1 and LHS/B3-2, and 68.8% and 56.9% were released in 44 h, respectively. The release of the vitamin from LHS/B3-1 and LHS/B3-2 was divided into three stages. The results suggest that surface diffusion is initially involved in the release of B3 from intercalation products, where the anion dissociates from the surface of LHSs, followed by B3 release controlled by a diffusion process via intra-particle or surface diffusion.</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":"105 1-2","pages":"87 - 100"},"PeriodicalIF":2.3,"publicationDate":"2024-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143108941","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

Design and synthesis of a new chiral macrocyclic dilactam and its characterization by NMR and single-crystal X-ray diffraction 一种新型手性大环二内酰胺的设计合成及其核磁共振和单晶x射线衍射表征

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-12-12 DOI: 10.1007/s10847-024-01271-z

Divina P. Sanchez-Perez, Victor Gómez-Calvario, Jacqueline Jiménez, Manuel Velasco, Angel Mendoza, Jorge R. Juárez

{"title":"Design and synthesis of a new chiral macrocyclic dilactam and its characterization by NMR and single-crystal X-ray diffraction","authors":"Divina P. Sanchez-Perez, Victor Gómez-Calvario, Jacqueline Jiménez, Manuel Velasco, Angel Mendoza, Jorge R. Juárez","doi":"10.1007/s10847-024-01271-z","DOIUrl":"10.1007/s10847-024-01271-z","url":null,"abstract":"<div><p>In this study, we report the synthesis and structural characterization of a new chiral macrocyclic dilactam (<b>1</b>) using (<i>R</i>)-phenylglycinol as a key building block. Macrocyclic polyether dilactams, such as this compound, have garnered attention for their ability to form complexes with cations, anions, heavy-metal ions, and neutral organic molecules, displaying potential biological applications as molecular or ion receptors and antibiotics. Building on our expertise in synthesizing chiral piperidine derivatives for alkaloid synthesis, we employed efficient diastereoselective strategies to develop this macrocycle. The complete structural assignment, crucial for correlating structural patterns with biological activity, was achieved through two-dimensional NMR spectroscopy and X-ray diffraction analysis. This work provides valuable insights into the design of diaza-crown ethers with potential applications in supramolecular systems and medicinal chemistry.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 3-4","pages":"159 - 166"},"PeriodicalIF":2.3,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10847-024-01271-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835628","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

Synthesis and characterization of a new biscrown compound formed from diamide crown ligands 由二胺冠配体形成的新型双冠化合物的合成与表征

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-12-04 DOI: 10.1007/s10847-024-01270-0

Amir Ghanaat Gharamaleki, Samad Bavili Tabrizi, Gholam Hossein Shahverdizadeh

{"title":"Synthesis and characterization of a new biscrown compound formed from diamide crown ligands","authors":"Amir Ghanaat Gharamaleki, Samad Bavili Tabrizi, Gholam Hossein Shahverdizadeh","doi":"10.1007/s10847-024-01270-0","DOIUrl":"10.1007/s10847-024-01270-0","url":null,"abstract":"<div><p>Diamide macrocycles are valuable intermediates for the synthesis of aza crown compounds as well as more complex ligands such as various cryptands and cryptohemispherands. Their versatility in many fields, such as chemistry, biochemistry, biophysics, biology, agriculture, industry, medicine, molecular diagnosis, sensors, and phase transfer catalysts, has captured the interest of many. In the first step, 2,4-dimethylphenol was converted to the oxythiobis [4,6-dimethylphenyl] (1) by reacting with thionyl chloride. Then, oxythiobis [4,6-dimethyl phenoxy methyl acetate] (2) was obtained from the reaction of oxythiobis [4,6-dimethylphenyl] (1) with methyl chloroacetate. The reaction of oxythiobis [4,6-dimethyl phenoxy methyl acetate] (2), with a diethylenetriamine, produced the tri-aza dibenzo sulfoxide macrocyclic diamides (3). Bis [tri-aza dibenzo sulfoxide macrocyclic diamides] (4) was prepared from the reaction of tri-aza dibenzo sulfoxide macrocyclic diamides (3) with a suitable active compound such as diacid or dichloride. The structures of all synthesized compounds were characterized by <sup>1</sup>H NMR, <sup>13</sup>C NMR, FT-IR, and mass spectra.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 1-2","pages":"101 - 113"},"PeriodicalIF":2.3,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107828","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

Synthesis and organocatalytical evaluation of optically pure inherently chiral calix[4]arene phosphoric acids 光学纯固有手性杯状[4]芳烃磷酸的合成及有机催化评价

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-11-24 DOI: 10.1007/s10847-024-01267-9

Andrii Karpus, Oleksandr Yesypenko, Jean-Claude Daran, Zoia Voitenko, Eric Manoury, Vitaly Kalchenko

引用次数: 0

The inclusion of guest molecules by pillar[n]arene hosts in nonaqueous solution 柱[n]芳烃主体在非水溶液中包裹客分子

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-11-21 DOI: 10.1007/s10847-024-01269-7

Zahrah Purahoo, Tara A. Misener, Emma K. Ramsay, Brian D. Wagner

{"title":"The inclusion of guest molecules by pillar[n]arene hosts in nonaqueous solution","authors":"Zahrah Purahoo, Tara A. Misener, Emma K. Ramsay, Brian D. Wagner","doi":"10.1007/s10847-024-01269-7","DOIUrl":"10.1007/s10847-024-01269-7","url":null,"abstract":"<div><p>Pillar[n]arenes are a relatively new family of macrocyclic molecular hosts, consisting of methylene-linked phenol-based monomers attached in a <i>para</i>-substituted configuration. The macrocyclic nature of these molecules provides a well-defined internal cavity, into which smaller guest molecules can be included to form supramolecular host-guest inclusion complexes. The para-oriented attachment yields relatively rigid cylindrical or pillar-like molecular and cavity shapes, hence the name. In addition to the unique shape of these cavities (compared to the related meta-substituted calixarenes, for example), the aromatic nature of the cavity walls also contributes to distinctive host properties of pillar[n]arenes and guest affinities. Neutral pillar[n]arenes, such as those with alkyl substituents, are generally insoluble in water, and thus their host properties are studied in nonaqueous media. This review article will provide a comprehensive summary of the reported host binding studies of pillar[n]arenes in nonaqueous solution. A wide range of specific pillar[n]arenes have been studied in this way, as have a wide variety of sizes and types of guests. The emphasis will be on studies in which the value of the binding association constant K<sub>a</sub> was measured and reported, to consider the effect of guest size, shape, and nature and the host size and substituents on the binding ability of pillar[n]arenes. The main objective of the paper is to provide a summary and overview of the host binding abilities of this fascinating family of molecular hosts in nonaqueous solution.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 1-2","pages":"1 - 22"},"PeriodicalIF":2.3,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143108990","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

An environmentally safe formulation of plant derived fungicide: preparation and characterization of inclusion complex of honokiol and methyl-β-cyclodextrin 植物源杀菌剂的环保配方：厚朴酚-甲基β-环糊精包合物的制备与表征

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-11-11 DOI: 10.1007/s10847-024-01265-x

Chao Zhang, Tingchi Wen, Lijun Qiao, Ming Guo, Qihua Li, Zhenghua Lu, Zhenyuan Zhu, Meiling Lu

{"title":"An environmentally safe formulation of plant derived fungicide: preparation and characterization of inclusion complex of honokiol and methyl-β-cyclodextrin","authors":"Chao Zhang, Tingchi Wen, Lijun Qiao, Ming Guo, Qihua Li, Zhenghua Lu, Zhenyuan Zhu, Meiling Lu","doi":"10.1007/s10847-024-01265-x","DOIUrl":"10.1007/s10847-024-01265-x","url":null,"abstract":"<div><p>Honokiol (HK) is an active compound in the traditional Chinese medicine <i>Magnolia officinalis</i>, which has antibacterial and disease-resistant effects on pathogenic microorganisms. However, due to its poor water solubility, its application is severely limited. In this study, Methyl-β-Cyclodextrin (M-β-CD) was used to encapsulate honokiol to improve its water solubility. The inclusion complex of HK with M-β-CD (HK/M-β-CD IC) were prepared by freeze-drying method, Phase solubility studies indicate that HK with M-β-CD forms inclusion complex in a stoichiometric ratio of 1:1. However, considering that the inclusion process is reversible. In order to obtain inclusion complex with higher encapsulation efficiency, we use response surface optimization to optimize the encapsulation process. The encapsulation efficiency of the obtained inclusion compound is 87.64%.The structure of inclusion complex was characterized by FTIR, TGA, SEM, XRD and NMR. The molecular docking was used to predict the structure of inclusion complex. In addition, compared with free HK, the solubility of the inclusion complex in water was significantly enhanced, about 1228 times that of the free HK. And it enhances the antibacterial activity against <i>Trichoderma koningii</i>.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 1-2","pages":"49 - 63"},"PeriodicalIF":2.3,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143108561","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: X-ray structures, thermal stabilities and kinetics of guest desolvation of complexes of three fluorenone-derived host compounds with the polar aprotic guest solvent, tetramethylurea 更正：三种芴酮衍生主化合物与极性非烷基客体溶剂四甲基脲复合物的 X 射线结构、热稳定性和客体解溶动力学

IF 2.3 4区化学

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2024-11-10 DOI: 10.1007/s10847-024-01262-0

Duncan W. McFarlane, Benita Barton, Mino R. Caira

引用次数: 0