ACS Chemical NeurosciencePub Date : 2026-10-21Epub Date: 2026-09-14DOI: 10.1021/acschemneuro.6c00366
InWook Park, Kyeonghwan Kim, Sunhee Lee, Wonbin Seo, Hye Yun Kim, Ikyon Kim, YoungSoo Kim
{"title":"Indolizine-Based Small-Molecule Fluorescent Probes for Ex Vivo Imaging of Amyloid-β Plaques","authors":"InWook Park, Kyeonghwan Kim, Sunhee Lee, Wonbin Seo, Hye Yun Kim, Ikyon Kim, YoungSoo Kim","doi":"10.1021/acschemneuro.6c00366","DOIUrl":"https://doi.org/10.1021/acschemneuro.6c00366","url":null,"abstract":"<p>Fluorescenceprobes for visualizing amyloid-β (Aβ)plaques are important tools in Alzheimer’s disease (AD) research.We synthesized a library of 49 indolizine derivatives using a modularsynthetic approach and evaluated their fluorescence labeling behaviordirectly in <em>ex vivo</em> brain tissue sections from 5XFADtransgenic mice. Through an <em>ex vivo</em> tissue-basedscreening workflow using anti-Aβ antibody 6E10 as a referencestandard for plaque-containing regions, five hit compounds (YIZ-20,YIZ-32, YIZ-36, YIZ-45, and YIZ-47) displaying plaque-associated fluorescencepatterns were identified. Costaining experiments demonstrated spatialcorrespondence between probe fluorescence and antibody-defined plaqueregions. Spectral analysis showed that the selected YIZ probes exhibitedemission profiles with somewhat reduced overlap with the Hoechst 33342channel compared with thioflavin S (ThS), providing a modest but practicaladvantage for multichannel imaging applications. These findings highlightthe utility of <em>ex vivo</em> tissue-based screening forfluorescent-probe discovery and establish indolizine as a promisingscaffold for the development of complementary fluorescence imagingtools for AD-related <em>ex vivo</em> tissue studies.</p>","PeriodicalId":13,"journal":{"name":"ACS Chemical Neuroscience","volume":"17 20","pages":"3431–3440"},"PeriodicalIF":4.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Crystal Growth & DesignPub Date : 2026-10-21Epub Date: 2026-10-09DOI: 10.1021/acs.cgd.6c00829
Xin Li, Zi Wang, Ying Hu, Ting Wang, Ying Song, Yang Yang, Deyin Wang, Zaixiang Zhang
{"title":"Effect of Substituent Position on the Polymorphism of Salicylaniline Derivatives","authors":"Xin Li, Zi Wang, Ying Hu, Ting Wang, Ying Song, Yang Yang, Deyin Wang, Zaixiang Zhang","doi":"10.1021/acs.cgd.6c00829","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c00829","url":null,"abstract":"<p>To elucidate how substituent position regulates polymorphic crystallization, two chlorinated salicylideneaniline positional isomers<span></span>4CC (4-chloro) and 5CC (5-chloro)<span></span>were investigated. How the substituent position modulates the pathway from electronic structure to crystallization kinetics has not been systematically addressed. Electrostatic potential analysis and a Cambridge Structural Database survey reveal conformational dimorphism<span></span>a twisted yellow form and a nearly planar orange form<span></span>as a general feature of this compound class, with the substituent position fine-tuning the molecular electronic structure without fundamentally altering it. Both isomers share a twisted global-minimum conformation (≈40°) with low interconversion barriers. Although the yellow polymorph is metastable for both isomers, the lattice energy difference between the orange and yellow forms is substantially greater for 5CC (Δ<em>U</em><sub>lat</sub> ≈ 4.8 kJ·mol<sup>−1</sup>) than for 4CC (≈0.1 kJ·mol<sup>−1</sup>), and the 5-chloro isomer exhibits systematically lower solubility, indicating selective stabilization of the thermodynamically favored polymorph. Lattice energy decomposition identifies dispersion forces as the dominant cohesive contribution, with electrostatic interactions playing a secondary but discriminating role. Kinetically, the 4-chloro isomer exhibits a lower crystal−liquid interfacial tension than the 5-chloro counterpart for the yellow polymorphs (1.05 vs. 1.43 mJ·m<sup>−2</sup>), correlating with shorter nucleation induction times, yet slower crystal growth rates<span></span>revealing a complementarity between nucleation and growth. These findings establish substituent position as a versatile structural variable that, through modulation of conformation, intermolecular interactions, and interfacial energetics, differentially governs the thermodynamic stability and crystallization kinetics of 4CC and 5CC.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8204–8218"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Crystal Growth & DesignPub Date : 2026-10-21Epub Date: 2026-10-05DOI: 10.1021/acs.cgd.6c01115
João A. Baptista, Mário T. S. Rosado, Ricardo A. E. Castro, Elvira Fantechi, Laura Chelazzi, Samuele Ciattini, M. Ermelinda S. Eusébio
{"title":"A Journey through Solvent Space: New Solvates of Probucol","authors":"João A. Baptista, Mário T. S. Rosado, Ricardo A. E. Castro, Elvira Fantechi, Laura Chelazzi, Samuele Ciattini, M. Ermelinda S. Eusébio","doi":"10.1021/acs.cgd.6c01115","DOIUrl":"https://doi.org/10.1021/acs.cgd.6c01115","url":null,"abstract":"<p>A systematic expansion of the solid-form landscape of the antihyperlipidemic drug probucol was carried out using a diverse set of solvents spanning a broad physicochemical space, providing insight into the formation of probucol solvated forms. Five new solvates were discovered (with cyclohexane, carbon tetrachloride, tetrahydrofuran, 1,4-dioxan and dimethylsulfoxide), and comprehensively characterized, including their crystal structures, infrared spectra, thermal behaviour and solid-state stability. The results show that solvate formation is governed primarily by solvent molecular size and shape, together with hydrogen-bond acceptor ability. Solvates were obtained with small apolar solvents, and with small hydrogen-bond accepting molecules capable of accessing the sterically hindered hydroxyl groups of probucol and forming stabilizing hydrogen-bonding intermolecular interactions. In contrast, solvate formation was not observed for hydrogen-bond donor solvents or for larger, more flexible solvent molecules. The stability of the solvated forms was assessed under controlled temperature and relative humidity conditions, revealing a common dessolvation pathway (except for the dimethylsulfoxide solvate, which remained stable after 15 days), albeit at different rates, leading to the formation probucol polymorph II. Competitive slurry experiments carried out in selected binary solvent mixtures confirmed that the domains of stability of the solvates are determined by their solubilities in the respective pure solvent.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"26 20","pages":"8522–8535"},"PeriodicalIF":3.6,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Nitrate-Functionalized Azetidines for Synergistic Combustion in Ammonium Perchlorate-Based Propellant Formulations","authors":"Manojkumar Jujam, Ankita Tripathi, Srinivas Dharavath","doi":"10.1021/acsami.6c14117","DOIUrl":"10.1021/acsami.6c14117","url":null,"abstract":"<p>The development of high-performance energetic fuel components with rapid ignition characteristics is crucial for next-generation ammonium perchlorate (AP)-based composite propellants. Herein, we report a series of pyrimidine- and pyrazine-substituted azetidine nitrate esters (<strong>3</strong>, <strong>6</strong>, and <strong>9</strong>) and systematically investigate their structural, thermal, energetic, and combustion properties. Notably, compound <strong>3</strong> crystallized in two polymorphic forms (<strong>3</strong> and <strong>3′</strong>), revealing how crystal packing influences intermolecular interactions, density, and energetic performance despite identical molecular composition. All compounds exhibit favorable thermal stability, with decomposition temperatures ranging from 161 to 179 °C, high densities of 1.68–1.75 g cm<sup>–3</sup>, and moderate impact sensitivities (<2.5 J). Among them, compound <strong>9</strong> shows the highest energetic performance, with a detonation velocity of 7740 m s<sup>–1</sup>. To evaluate their potential as energetic fuel components, binary AP/fuel formulations with varying oxidizer-to-fuel ratios were prepared and assessed using combustion and hot-needle ignition tests. All formulations displayed rapid flame propagation and ignition delay times below 10 ms, while the formulation containing 5 wt % of AP with compound <strong>3</strong> achieved an exceptional short ignition delay of 1 ms. These findings demonstrate that nitrate-functionalized azetidines not only possess attractive intrinsic energetic properties but also exhibit remarkable fuel-oxidizer synergy with AP, enabling rapid ignition and efficient combustion. This work establishes pyrimidine and pyrazine-substituted azetidine nitrate esters as promising energetic fuel components for next-generation AP-based composite propellant formulations.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"56136–56147"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yinfeng Huang, Zhaochi Zhang, Chuanpu Zhang, Qinghao Cao, Jun Zhang, Francis Chi-Chung Ling, Xiangwei Meng, Qiang Ru
{"title":"Cationic High-Entropy Doping Endows O3-Type Na-Ni-Mn-O-Layered Cathode with High Energy Density and Sustainable Sodium Storage","authors":"Yinfeng Huang, Zhaochi Zhang, Chuanpu Zhang, Qinghao Cao, Jun Zhang, Francis Chi-Chung Ling, Xiangwei Meng, Qiang Ru","doi":"10.1021/acsami.6c13570","DOIUrl":"10.1021/acsami.6c13570","url":null,"abstract":"<p>Although O3-type layered oxides featuring an open framework demonstrate potential as high-capacity cathode materials for sodium-ion batteries, such cathode materials are confronted with commercial limitations, including intricate phase transition mechanisms, structural degradation, and sluggish sodium ion diffusion kinetics, culminating in rapid capacity fading and severe performance deterioration. Cationic high-entropy doping was adopted to fabricate the O3-Na<sub>0.95</sub>Mg<sub>0.045</sub>Ni<sub>0.22</sub>Fe<sub>0.045</sub>Cu<sub>0.08</sub>Co<sub>0.08</sub>Ti<sub>0.08</sub>Mn<sub>0.45</sub>O<sub>2</sub> (HE-NNMO) cathode. The HE-NNMO cathode manifests acceptable Na storage capability, rapid electron transmission, apparent pseudocapacitance effect, and preferable structural integrity. HE-NNMO achieved an initial discharge specific capacity of 142.2 mAh g<sup>−</sup><sup>1</sup> at a current density of 50 mA g<sup>−</sup><sup>1</sup> and maintained a capacity retention rate of 93.0% after 100 cycles at a current density of 500 mA g<sup>−</sup><sup>1</sup>. Additionally, it achieved an ultrahigh specific energy of 431.8 Wh kg<sup>−</sup><sup>1</sup> (based on the cathode active material) at a current density of 0.05 A g<sup>−</sup><sup>1</sup>, and the Coulombic efficiency reached 89%. Notably, in the full cell, HE-NNMO//H`C maintained capacity retention rates of 78.8% and 65.7% after 200 and 1200 cycles at current densities of 200 mA g<sup>−</sup><sup>1</sup> and 1 A g<sup>−</sup><sup>1</sup>, respectively, demonstrating its practical applicability. This study provides insights for the high-entropy design of O3-type layered oxides in sodium-ion batteries.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"56121–56135"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149092215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yinke Zhong, Jiawei Cheng, Bingzhu Wang, Yongxiang Guo, Haiwang Wang
{"title":"In Situ Fabrication of a Highly Active Heterophase Junction for Photocatalytic Water Oxidation through Dual Modulation of Phase Composition and Micromorphology of BiVO4","authors":"Yinke Zhong, Jiawei Cheng, Bingzhu Wang, Yongxiang Guo, Haiwang Wang","doi":"10.1021/acsami.6c11516","DOIUrl":"10.1021/acsami.6c11516","url":null,"abstract":"<p>Photocatalytic water oxidation constitutes a pivotal reaction step in the development of artificial photosynthetic systems. Among prospective photocatalysts, BiVO<sub>4</sub> is widely regarded as an ideal candidate for visible-light-driven water oxidation owing to its favorable band gap energy. Nevertheless, its practical implementation remains impeded by rapid photogenerated charge-carrier recombination and inefficient charge transport, factors that severely constrain the oxygen evolution efficiency. To address this challenge, this study developed a hydrothermal strategy for the in situ fabrication of BiVO<sub>4</sub> heterophase junctions by precisely tuning the pH, precursor concentration, and surfactant dosage. Through these process optimizations, the morphology of BiVO<sub>4</sub> was successfully engineered, enabling the targeted design of spherical, rod-shaped, flake-shaped, and block-shaped architectures, thereby significantly enhancing photocatalytic oxygen evolution activity. Notably, flake-shaped BiVO<sub>4</sub>(s-m) featuring high exposure of the {010} facets exhibits the optimal photocatalytic performance. Furthermore, the BiVO<sub>4</sub>(z-t)/BiVO<sub>4</sub>(s-m) heterophase junction was fabricated in situ at pH = 4 using 5 mmol of each precursor. Benefiting from efficient interfacial charge separation and optimized surface reaction kinetics, this heterophase junction exhibits an excellent oxygen evolution rate of 582.04 μmol/g/h, representing enhancements of 1.998- and 2.969-fold relative to the flake-shaped and block-shaped single-phase BiVO<sub>4</sub>(s-m) counterparts, respectively.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"56059–56069"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149126128","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chang Woo Song, Chan Kang, Jihun Lee, Nakhyun Kim, Hoeyun Jung, Young Bin Yoon, Eunwoo Kim, Sukho Park, Jae-Byum Chang
{"title":"Functionalized Silica-Coated Metallic Replicas of Intracellular Protein Assemblies","authors":"Chang Woo Song, Chan Kang, Jihun Lee, Nakhyun Kim, Hoeyun Jung, Young Bin Yoon, Eunwoo Kim, Sukho Park, Jae-Byum Chang","doi":"10.1021/acsami.6c12329","DOIUrl":"10.1021/acsami.6c12329","url":null,"abstract":"<p>To replicate hierarchical biological architectures, biotemplating leverages diverse biological structures as templates for inorganic materials. Among the various inorganic materials explored in biotemplating, silica is an attractive material because of its stability and biocompatibility. However, existing biotemplating methods are largely nonselective, yielding silica replicas of bulk biological specimens. Here, we report an approach for selective materialization of targeted protein-associated architectures from cells and tissue slices, enabling recovery of the resulting silicified structures after enzymatic removal of surrounding non-target biomolecular components. To this end, we (i) immunolabeled target proteins with fluorophore-conjugated antibodies, (ii) embedded specimens in a hydrogel, (iii) removed endogenous proteins via enzymatic digestion, and (iv) converted the retained fluorophore patterns into Au nanoparticle assemblies through fluorophore-directed nanogold labeling and electroless Au growth, followed by silica coating. Using this strategy, we fabricated microtubule-derived silica bioreplicas from a human immune-lineage cell line and tuned their overall size by adjusting the expansion of the surrounding hydrogel matrix. Furthermore, functionalization of the silica surface with magnetic nanoparticles enables controlled motion of the bioreplicas under electromagnetic actuation. Finally, we extended the method to mouse brain slices and produced thermally stable silica bioreplicas of astrocytic and oligodendrocytic structures. Overall, this work expands the structural diversity and selectivity of silica-based biomimetic materials and broadens the palette of biotemplating templates.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"56274–56286"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151164","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Konstantin Romanenko, Yanting Jin, Nikolai Avdievich
{"title":"Resolving the LiFePO4 Battery State beyond Voltage-Based Diagnostics Using Surface-Scan MRI","authors":"Konstantin Romanenko, Yanting Jin, Nikolai Avdievich","doi":"10.1021/acsami.6c16287","DOIUrl":"10.1021/acsami.6c16287","url":null,"abstract":"<p>Reliable assessment of state of charge (SoC) and state of health (SoH) in commercial batteries remains a major challenge because their closed architecture obscures the underlying electrochemical, structural, and thermal processes, while existing diagnostic methods often provide only indirect, spatially averaged, voltage-based information about battery operation and degradation. Lithium iron phosphate (LFP) is among the most widely deployed cathode materials due to its low cost, long cycle life, and high thermal stability; however, its characteristically flat voltage profile fundamentally limits the information content of conventional diagnostics. In this work, we exploit the large magnetic-susceptibility contrast between the FP and LFP phases and the lithiation-dependent evolution of their phase fractions for accurate and time-efficient determination of SoC in commercial pouch cells and battery packs. Surface-scan magnetic resonance imaging (MRI) provides new SoC and SoH metrics through quantitative inside-out measurements of battery-induced magnetic field perturbations. LFP is a cathode material particularly well suited to this approach because its biphasic FP/LFP regime spans a large fraction of the usable SoC window while generating substantial magnetic susceptibility contrast between the FP and LFP phases. Under the biphasic approximation, the average magnetic susceptibility follows the lever rule, predicting a linear relationship between the induced magnetic field offset and SoC. Surface-scan MRI experiments confirm this prediction over a broad SoC range. We further establish a framework for spatial mapping of SoC and SoH heterogeneity in multi-cell architectures representative of practical battery packs. Despite minimal voltage differences between cells, the method enables quantitative visualization of charge imbalance and structural heterogeneity on the timescale of seconds.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"18 41","pages":"56203–56211"},"PeriodicalIF":7.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149151923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}