Journal of Inclusion Phenomena and Macrocyclic Chemistry最新文献

{"title":"Data-driven modelling of host–guest interactions and diffusion-induced swelling in pillar[5]arene-based chemosensors","authors":"Sibel Celik Acikbas,&nbsp;Kemal Buyukkabasakal,&nbsp;Ali Deniz","doi":"10.1007/s10847-026-01352-1","DOIUrl":"10.1007/s10847-026-01352-1","url":null,"abstract":"<div><p>In this study, we investigate a pillar[5]arene-based thin film sensor through an integrated experimental and data-driven modelling approach, with the aim of elucidating diffusion-induced swelling behavior. Within this framework, diffusion coefficients were calculated using time-dependent response data for three different volatile organic compounds (VOCs) obtained via Surface Plasmon Resonance (SPR) and Quartz Crystal Microbalance (QCM) measurements. These values were determined using Fick’s early-stage diffusion model. The SPR-derived diffusion coefficients were higher than the QCM values, being approximately 3.3 times higher for dichloromethane and 2.8 times higher for chloroform. To capture the nonlinear and dynamic sensor response, Nonlinear Autoregressive Exogenous Artificial Neural Networks (NARX-ANN) and Gaussian Process Regression (GPR) models were developed and validated using experimental datasets. Both approaches accurately reproduced the temporal response profiles and yielded diffusion coefficients in close agreement with those obtained from physics-based calculations. This study presents a comprehensive framework that combines diffusion-based physical analysis for VOC detection using pillar[5]arene with advanced machine learning techniques. The proposed approaches contribute to the understanding of VOC–sensor interactions and may serve as a useful framework for the design and optimization of chemical sensing systems.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"106 7-8","pages":"481 - 498"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903401","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}

{"title":"Publisher Correction: Identification of facial nerve using flexible electrodes via impedance spectroscopy during parotidectomy","authors":"Jinhwan Kim,&nbsp;Yangkyu Park,&nbsp;Hyeon Woo Kim,&nbsp;Hyong-Ho Cho","doi":"10.1007/s10847-026-01351-2","DOIUrl":"10.1007/s10847-026-01351-2","url":null,"abstract":"","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"106 7-8","pages":"513 - 513"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903404","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}

{"title":"Sustainable nanoporous carbon from Kanak Champa wood for the enhanced removal of Basic blue 3 dye: kinetic modeling and mechanistic approach","authors":"Abhishek Srivastava,&nbsp;Rajeev Kumar Dohare,&nbsp;Viswanadha Srirama Rajasekhar Pullabhotla,&nbsp;Nitin Srivastava","doi":"10.1007/s10847-026-01354-z","DOIUrl":"10.1007/s10847-026-01354-z","url":null,"abstract":"<div><p>The effective removal of dyes from polluted water presents an important ecological issue because of their harmful nature and enduring presence. Basic blue 3 (BB3) has considerable health hazards, including possible associations with cancer and genetic abnormalities, alongside established acute toxicity and irritation of the eyes and skin. Nanoporous carbon materials are extensively utilized for dye elimination owing to their extensive surface area and tunable porosity. The present study focuses on the fabrication of Kanak Champa wood nanoporous carbon (KCWNC) by a dual carbonization and KOH activation method intended for the adsorptive removal of BB3. FE-SEM, XRD, FTIR, zeta potential, and BET analyses were utilized to characterize the KCWNC. BET analysis indicates that KCWNC has a surface area of 512.6 m²g⁻¹ and a mean pore diameter of 3.5 nm. FTIR and Boehm titration analyses indicate the presence of –OH, –COOH, C = O, and C-O-C functional groups on the surface of KCWNC. These functional groups facilitate the removal of BB3 dye via electrostatic interactions, hydrogen bonding, and π–π interactions. The adsorption of BB3 on the surface of KCWNC occurs efficiently at an optimum pH of 8.0. KCWNC exhibited the highest adsorption capacity of 244.4 mgg^− 1 at 298 K. Adsorption equilibrium efficiently followed the Langmuir isotherm model (R² = 0.999), and the kinetics of adsorption adhered to the pseudo-second-order approach. The thermodynamic study confirmed the adsorption to be a spontaneous process and exothermic in nature. A ΔH° value of -45.23 kJmol^− 1, in conjunction with PSO kinetics, suggests the weak chemisorption of BB3 on the KCWNC surface. The KCWNC obtained in this research was also regenerated, maintaining a retention capacity of 94.1% after four cycles. BB3 adsorption on the surface of KCWNC occurs mainly due to electrostatic interactions. The research developed a biodegradable, recyclable, and effective nanoporous carbon material for treating coloured dye pollutants present in water, addressing environmental concerns in accordance with SDG6.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"106 7-8","pages":"499 - 512"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903402","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}

{"title":"From solubilizers to release stabilizers: mechanistic design rules for cyclodextrin-based oral drug delivery","authors":"Khaldoun A. Al-Sou’od,&nbsp;Layan Alsoud","doi":"10.1007/s10847-026-01358-9","DOIUrl":"10.1007/s10847-026-01358-9","url":null,"abstract":"<div><p>Cyclodextrins (CDs) are widely deployed to improve the performance of poorly water soluble drugs, yet their role is still often framed narrowly as empirical “solubilizers.” This review reframes CDs as predictable stabilizers by connecting host–guest thermodynamics, stability constants (K_1:1), complexation efficiency (CE), and ΔG_bind, to quantitative kinetic outcomes that control exposure: supersaturation trajectories, induction time (t_ind), and intrinsic dissolution rate (IDR). We synthesize evidence across native and derivative CDs (HP-β-CD, SBE-β-CD, RM-β-CD, γ-CD) and across hybrid architectures (nanosponges, polymer- and lipid based systems). A practitioner-oriented framework maps drug motifs and speciation at intestinal pH to derivative choice, then prescribes when to add polymers/surfactants to secure recrystallization resistance. Templates for measurement (phase solubility, t_ind, IDR, XRPD/DSC) and a computational toolbox (docking → MD → ΔG estimation; QSPR/ML) translate ΔG/K/CE into effect sizes in log(S/S₀) and t_ind. We codify reporting standards (raw points, CE with CI, buffer/pH/ionic strength, DS/vendor) and common pitfalls (misreading AN/BS curvature, filter adsorption, confusing complex precipitation with drug recrystallization). The review culminates in decision trees and design rules that elevate CDs from trial and error excipients to mechanistically rational stabilizers, supporting robust and reproducible formulation design in oral delivery.</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":"106 7-8","pages":"425 - 448"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903403","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}

{"title":"Fluoride ion recognition by small-molecule optical probes: from binding mechanisms to applications","authors":"Duraisamy Udhayakumari","doi":"10.1007/s10847-026-01348-x","DOIUrl":"10.1007/s10847-026-01348-x","url":null,"abstract":"<div><p>Fluoride ion (F⁻) exhibits a dual role in environmental and biological systems, being beneficial at trace levels but toxic at elevated concentrations, necessitating reliable detection methods. Small-molecule optical probes, particularly colorimetric and fluorescent chemosensors, have emerged as efficient tools due to their simplicity, high sensitivity, and real-time response. This review summarizes the sources, industrial applications, and toxicological impacts of fluoride, and highlights key sensing mechanisms including hydrogen bonding, π-conjugation modulation, Lewis acid–base coordination, desilylation, and fluoride-induced deprotonation. Recent developments in heterocycle-based probes derived from imidazole, coumarin, thiazole, naphthalimide, and Schiff base frameworks are discussed, emphasizing structure–activity relationships, selectivity, and practical sensing applications.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"106 7-8","pages":"403 - 423"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903405","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}

{"title":"Preparation of tetra-benzimidazolium fluorescence probe based on anthraquinone and the detection of dihydrogen phosphate","authors":"Yingjie Liu,&nbsp;Xiaofeng Sun,&nbsp;Qingxiang Liu","doi":"10.1007/s10847-026-01350-3","DOIUrl":"10.1007/s10847-026-01350-3","url":null,"abstract":"<div><p>A new anthraquinone-based tetra-benzimidazolium salt 1,8-bis{2’-[2’’-(<i>N</i>-picoly-benzimidazoliumyl)ethyl]benzimidazoliumyl}ethoxy-9,10-anthraquinone hexafluorophosphate (<b>1</b>) was prepared and characterized. Particularly, the recognition performance of H₂PO₄⁻ using of compound <b>1</b> as a chemical sensor was investigated through fluorescence spectra, ultraviolet spectra, HRMS, ¹H NMR titrations and IR spectra. The experimental results showed compound <b>1</b> has a good recognition ability for H₂PO₄⁻.</p><h3>Graphical abstract</h3><p>One tetra-benzimidazolium salt <b>1</b> was prepared and characterized. The recognition of H₂PO₄⁻ using <b>1</b> as a chemosensor was studied.</p><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":"106 7-8","pages":"473 - 479"},"PeriodicalIF":1.6,"publicationDate":"2026-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903645","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}

{"title":"Correction: Identification of facial nerve using flexible electrodes via impedance spectroscopy during parotidectomy","authors":"Jinhwan Kim,&nbsp;Yangkyu Park,&nbsp;Hyeon Woo Kim,&nbsp;Hyong-Ho Cho","doi":"10.1007/s10847-026-01353-0","DOIUrl":"10.1007/s10847-026-01353-0","url":null,"abstract":"","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"106 of","pages":"387 - 387"},"PeriodicalIF":1.6,"publicationDate":"2026-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202947","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}

{"title":"BINOL-based chiral cages formed by a dynamic covalent bond approach through imine linkages","authors":"David-Jérôme Pham,&nbsp;Midhun Mohan,&nbsp;Audrey Fluck,&nbsp;Alain Chaumont,&nbsp;Lucas Vachey,&nbsp;Michel Meyer,&nbsp;Jean-Claude Chambron,&nbsp;Pierre Mobian","doi":"10.1007/s10847-026-01344-1","DOIUrl":"10.1007/s10847-026-01344-1","url":null,"abstract":"<div>\u0000 \u0000 <p>Enantiopure [2 + 3] covalent organic cages deriving from the 3,3’-diformyl-2,2’-BINOL building block are produced through a dynamic covalent chemistry approach. These architectures are formed with different triamino caps, 1,3,5-tris(aminomethyl)-2,4,6-triethylbenzene (<b>2a</b>), 1,3,5-tris(aminomethyl)-2,4,6-trimethylbenzene (<b>2b</b>), and 2,7,14-triaminotriptycene (<b>3</b>). For the synthesis of the cage <b>6b</b> containing <b>3</b>, a less direct synthetic route regarding the formation of the amine cages (<b>4a</b> and <b>4b</b>) generated from the spacers <b>2a</b> and <b>2b</b> was followed. Instead of being directly synthesized from 3,3’-diformyl-2,2’-BINOL, the targeted compound <b>6b</b> required a protected BINOL derivative. The ability of the three cages to host the 1-phenylethylammonium cation (<b>8</b>⁺) as a guest was evaluated through UV–vis titration, CD, and DOSY NMR studies. while the formation of the supramolecular complex <b>8</b>⁺ with cage <b>6b</b> was not possible, cages <b>4a</b> and <b>4b</b> were able to bind <b>8</b>⁺ with the same enantiopreference, higher association constants being obtained for cage <b>4a</b>. The association constants determined for the host–guest complexes are discussed in relation with the cavity size calculated for the host cages.</p>\u0000 </div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"106 7-8","pages":"449 - 463"},"PeriodicalIF":1.6,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903544","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}

{"title":"Sorption properties of the cucurbit[5–8]uril family towards water","authors":"Ekaterina A. Befus,&nbsp;Alexey N. Guslyakov,&nbsp;Evgeniy P. Meshcheryakov,&nbsp;Abdigali A. Bakibaev","doi":"10.1007/s10847-026-01347-y","DOIUrl":"10.1007/s10847-026-01347-y","url":null,"abstract":"<div><p>The water vapor sorption and desorption kinetics of the cucurbit[n]uril (CB[n]) homologues (<i>n</i> = 5–8) were investigated. Kinetic analysis revealed that the water uptake capacity varies as a function of cavity size with CB[5], CB[6], CB[7] and CB[8] exhibiting sorption of 8, 12, 18 and 17 mol H₂O per mol of host, respectively. The corresponding sorption equilibria were attained over 270, 320, 210 and 300 min, while complete desorption required 270, 390, 450 and 400 min, respectively. Experimentally derived rate constants for sorption (k_sorp) and desorption (k_des) were determined as follows: CB[5] k_sorp = 0.0172 min^− 1, k_des = 0.0101 min^− 1; CB[6] k_sorp = 0.013 min^− 1, k_des = 0.0047 min^− 1; CB[7] k_sorp = 0.0195 min^− 1, k_des = 0.039 min^− 1; CB[8] k_sorp = 0.0129 min^− 1, k_des = 0.0063 min^− 1. Notably, the highest sorption rate constants were observed for CB [5] and CB [7], which also demonstrate comparatively greater aqueous solubility, suggesting a possible correlation between hydration affinity and solubility behavior.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"106 7-8","pages":"465 - 472"},"PeriodicalIF":1.6,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903545","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}

{"title":"Room-temperature chemical extraction of cellulose nanocrystals from residual carpentry wood chips: a proof-of-concept study","authors":"Sami Zaidi,&nbsp;Imene Bekri Abbes,&nbsp;Besma Mellah","doi":"10.1007/s10847-026-01345-0","DOIUrl":"10.1007/s10847-026-01345-0","url":null,"abstract":"<div><p>The requirements for high thermal energy in conventional nanocellulose extraction methods remain a major limitation for the sustainable valorization of lignocellulosic residues. In this study, a chemical route operating entirely at room-temperature (~ 25 °C) is proposed for converting residual carpentry wood chips (WC) into cellulose nanocrystals (CNCs) <i>via</i> sequential alkalization, bleaching, and sulfuric acid hydrolysis. The process achieved a 56% yield of CNCs based on the initial mass of WC. A set of characterization techniques was employed to evaluate the structural and physicochemical properties of the obtained material. Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) confirmed the efficient removal of non-cellulosic components while preserving the cellulose I_β crystalline structure. Furthermore, the crystallinity index was found to increase from 51% in the raw wood chips to 68% in the final material, indicating effective removal of amorphous components. Scanning electron microscopy (SEM) revealed the formation of a cohesive nanostructured film upon drying. Dynamic light scattering measurements indicated nanoscale particle dimensions (~ 5 nm hydrodynamic diameter), while zeta potential analysis (-14.8 mV) suggested moderate colloidal stability. Although direct nanoscale imaging techniques such as transmission electron microscopy (TEM) and/or atomic force microscopy (AFM) were not performed, the combined structural and physicochemical analyses strongly suggest the formation of CNCs. Overall, this work provides a laboratory-scale proof-of-concept for a potentially energy-efficient CNCs production route enabling the valorization of low-value wood waste into high-performance bio-nanomaterials.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"106 of","pages":"325 - 338"},"PeriodicalIF":1.6,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148202928","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}