Precision Chemistry最新文献_第5页

ResNet-KAN for Small-Sample Chemical Formulation Prediction: Hybrid Architecture and Interpretability Analysis ResNet-KAN用于小样本化学配方预测：混合结构和可解释性分析

IF 7.7

Precision Chemistry Pub Date : 2026-08-24 Epub Date: 2026-04-24 DOI: 10.1021/prechem.5c00402

Yaochen Zhang, Yuqi Wang, Xin Ding, Liang Zhao, Le Wu

{"title":"ResNet-KAN for Small-Sample Chemical Formulation Prediction: Hybrid Architecture and Interpretability Analysis","authors":"Yaochen Zhang, Yuqi Wang, Xin Ding, Liang Zhao, Le Wu","doi":"10.1021/prechem.5c00402","DOIUrl":"https://doi.org/10.1021/prechem.5c00402","url":null,"abstract":"Formulation property prediction inindustrial chemistry is oftenhindered by severe data scarcity due to high experimental costs andconfidentiality constraints, which leads to overfitting and unreliableevaluation. Here, we propose a hybrid ResNet–KAN frameworkfor small-sample formulation modeling and demonstrate it on proprietaryemulsion oil formulations (32 real formulations, 11 anonymized components)for predicting pH and defoaming performance. To improve data efficiencywhile preventing metric inflation, we integrate fold-wise CTGAN augmentationinto a repeated nested cross-validation protocol, where synthetic(X, y) samples are generated exclusivelywithin outer training folds and are never used for performance evaluation.Under this rigorous setting, the proposed approach achieves strongand stable generalization across both tasks, reaching R2 = 0.785 ± 0.098 for pH and R2 = 0.755 ± 0.068 for defoaming on outer test folds andconsistently outperforming standard baselines and architectural variants.Beyond accuracy, interpretability is provided through complementaryanalyses: SHAP identifies globally influential components, while KAN-basedfunctional and layer-level visualizations reveal explicit nonlinearresponse patterns and potential operating windows, enabling actionableformulation guidance without disclosing proprietary identities. Overall,this work presents a leakage-controlled augmentation and interpretablemodeling strategy for data-scarce industrial formulations in precisionchemistry.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 8","pages":"1190–1202"},"PeriodicalIF":7.7,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148810239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unraveling Size-Dependent Electronic Structure and Local Environment in FeCoNiCu Multielemental Alloy Nanoparticles FeCoNiCu多元素合金纳米颗粒尺寸依赖性电子结构和局部环境的研究。

IF 7.7

Precision Chemistry Pub Date : 2026-07-27 Epub Date: 2026-06-05 DOI: 10.1021/prechem.5c00452

Bing Zhu, Qiqi Huang, Okkyun Seo, Jiayi Tang, Huayu Gu, Dongshuang Wu

{"title":"Unraveling Size-Dependent Electronic Structure and Local Environment in FeCoNiCu Multielemental Alloy Nanoparticles","authors":"Bing Zhu, Qiqi Huang, Okkyun Seo, Jiayi Tang, Huayu Gu, Dongshuang Wu","doi":"10.1021/prechem.5c00452","DOIUrl":"10.1021/prechem.5c00452","url":null,"abstract":"Multielemental alloy nanoparticles (MEA NPs) composedof earth-abundanttransition metals have attracted increasing interest due to theircompositional complexity and tunable electronic structures. However,precise size control and the structural evolution of non-noble MEANPs in the ultrasmall regime remain poorly understood. Herein, wereport a nonequilibrium colloidal strategy to synthesize FeCoNiCuMEA NPs with tunable sizes ranging from 4.8 to 36.8 nm by employinghot-injection and heat-up routes. While hot injection enables controlledgrowth down to 10.1 nm through ligand-mediated kinetics, an ultrasmall4.8 nm FeCoNiCu NP, representing the smallest non-noble MEA reportedto date, is exclusively obtained via the heat-up method. Structuralcharacterization reveals a size-dependent transition from a single-phasefcc solid solution to a predominantly amorphous alloy at the ultrasmalllimit. X-ray absorption fine structure spectroscopy (XAFS) and hardX-ray photoelectron spectroscopy (HAXPES) collectively demonstratepronounced electronic heterogeneity with decreasing particle size,characterized by progressive oxidation and electron depletion of Fe,Co, and Ni, while Cu remains predominantly metallic across all sizes.These results establish a clear correlation among synthesis kinetics,size-induced amorphization, and element-specific electronic structureevolution, providing fundamental insights into the design of ultrasmallMEA NPs.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 7","pages":"1070–1078"},"PeriodicalIF":7.7,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148621702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In Situ FTIR Investigation of Metal Node Chemistry in Zr-, Ce-, and Zr-Ce Bimetallic UiO-66 Frameworks Zr-， Ce -和Zr-Ce双金属UiO-66框架中金属节点化学的原位FTIR研究。

IF 7.7

Precision Chemistry Pub Date : 2026-07-27 Epub Date: 2026-02-26 DOI: 10.1021/prechem.5c00436

Vera Butova, Nikola L. Drenchev, Konstantin I. Hadjiivanov

{"title":"In Situ FTIR Investigation of Metal Node Chemistry in Zr-, Ce-, and Zr-Ce Bimetallic UiO-66 Frameworks","authors":"Vera Butova, Nikola L. Drenchev, Konstantin I. Hadjiivanov","doi":"10.1021/prechem.5c00436","DOIUrl":"10.1021/prechem.5c00436","url":null,"abstract":"Cerium-containing UiO-66 frameworks, including monometallicCe-UiO-66and bimetallic CeZr-UiO-66, were synthesized and investigated by insitu FTIR spectroscopy using probe molecules. FTIR analysis revealsthe presence of accessible metal sites in both materials, which areattributed to structural defects within the UiO-66 framework. Thedehydration–rehydration behavior was examined and found todiffer markedly from that of Zr-UiO-66, with Ce-containing clustersundergoing dehydroxylation at lower temperatures and exhibiting hinderedrehydrohylation. UV–Vis and FTIR spectroscopies indicated thatthe as-prepared Ce-containing materials contained negligible amountsof Ce3+. Dehydroxylation of Ce-UiO-66 leads to the formationof a fraction of Ce3+ cations, as evidenced by the appearanceof a characteristic spin–orbit electronic transition band ofCe3+ (2F5/2 → 2F7/2). Hydrogen treatment provokes further reduction ofCe4+ to Ce3+. Subsequent oxidation leads tofading of the Ce3+ electronic transition band, demonstratingthe reversibility of the Ce4+/Ce3+ redox process.These results provide molecular-level insight into the accessibility,dehydroxylation behavior, and redox activity of cerium sites in UiO-66-typeframeworks and highlight their potential relevance for redox catalysis.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 7","pages":"1062–1069"},"PeriodicalIF":7.7,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148621720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

How Many Kelvins Are Equivalent to One Electron-Volt: An Investigation of Energy-Temperature Scaling in Catalysis 多少开尔文相当于一个电子伏特：催化中能量-温度标度的研究。

IF 7.7

Precision Chemistry Pub Date : 2026-07-27 Epub Date: 2026-03-11 DOI: 10.1021/prechem.5c00345

Yecheng Leng, Xi Zhu

{"title":"How Many Kelvins Are Equivalent to One Electron-Volt: An Investigation of Energy-Temperature Scaling in Catalysis","authors":"Yecheng Leng, Xi Zhu","doi":"10.1021/prechem.5c00345","DOIUrl":"10.1021/prechem.5c00345","url":null,"abstract":"Classical thermodynamics equates 1 eV to ∼11,606K, yetreactions associated with eV-scale barriers can still proceed at ∼300K. In open, driven catalytic systems─particularly photocatalysis─therate-relevant energy populations may deviate substantially from equilibriumMaxwell–Boltzmann statistics, and the bath temperature aloneis therefore not a sufficient descriptor of reactivity, which canbe traced in the work of Montroll and Shuler in 1957 (Montroll, E. W.; Shuler, K. E.Studies in Nonequilibrium Rate Processes.I. The Relaxation of a System of Harmonic Oscillators. The Journal of Chemical Physics1957, 26 (3), 454−464. DOI: https://doi.org/10.1063/1.1743326.). Herewe extend a quantum-mechanical kinetic framework to quantify how photoexcitationand relaxation shape a nonequilibrium distribution over discrete molecular/surfacestates. We show that the effective energetic availability for barriercrossing, Ψ, becomes context dependent. This dependence is governedby intermolecular or adsorbate–surface interaction strengthsand relaxation pathways. The resulting picture rationalizes why apparenteV-scale activation parameters can coexist with ambient bath temperatures.Our work thus introduces a model of context-dependent energy transduction,offering a new principle for understanding catalytic processes bybridging quantum energy scales with macroscopic kinetics.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 7","pages":"929–937"},"PeriodicalIF":7.7,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148621746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Everolimus Delivery via Lignin Nanoparticles Enhances Antitumor Activity in Hormone Receptor-Positive Breast Cancer 通过木质素纳米颗粒递送依维莫司增强激素受体阳性乳腺癌的抗肿瘤活性。

IF 7.7

Precision Chemistry Pub Date : 2026-07-27 Epub Date: 2026-02-23 DOI: 10.1021/prechem.5c00290

Sofia Gabellone, Chiara Spadazzi, Davide Piccinino, Tiziana Castrignanò, Claudia Cocchi, Chiara Calabrese, Giovanni Carotenuto, Alessandro De Vita, Natalia Ceccotti Vlas, Giacomo Miserocchi, Silvia Vanni, Sofia Dellavalle, Oneda Cani, Giulia Sbanchi, Daniele Avitabile, Chiara Liverani, Raffaele Saladino

{"title":"Everolimus Delivery via Lignin Nanoparticles Enhances Antitumor Activity in Hormone Receptor-Positive Breast Cancer","authors":"Sofia Gabellone, Chiara Spadazzi, Davide Piccinino, Tiziana Castrignanò, Claudia Cocchi, Chiara Calabrese, Giovanni Carotenuto, Alessandro De Vita, Natalia Ceccotti Vlas, Giacomo Miserocchi, Silvia Vanni, Sofia Dellavalle, Oneda Cani, Giulia Sbanchi, Daniele Avitabile, Chiara Liverani, Raffaele Saladino","doi":"10.1021/prechem.5c00290","DOIUrl":"10.1021/prechem.5c00290","url":null,"abstract":"The mTOR inhibitor everolimus improvedprogression-freesurvivalin patients with hormone receptor-positive breast cancer resistantto hormone therapy. Despite initial success, everolimus has not yetrealized its full therapeutic potential due to its associated toxicitiesand the development of resistance. Here, we exploited biocompatiblelignin nanoparticles to enhance everolimus delivery and the mechanismof action in hormone receptor-positive breast cancer cells. Everolimuswas released from the lignin nanoparticles in a concentration-dependentmanner, following a Fickian diffusion-like model. The nanoparticlesprotected the drug from potential pH-induced degradation. Confocalmicroscopy confirmed the diffusion and cytoplasmic localization oflignin nanoparticles, as well as the efficient release of the drug.Everolimus release effectively inhibits the proliferation in breastcancer MCF7 cells. EVE/LNPs showed an improved in vitro antitumoreffect compared to EVE against the MCF7 cell line (63 vs 81% survivalrate at 10 nM). Under acidic pH conditions, the lignin nanoparticlesunderwent partial degradation, probably generating oligomers withpotential modulating effects on mTOR and FOXM1. Molecular dockingsimulations showed that lignin oligomers could selectively interactwith the ATP-binding cavity of mTOR. The affinity of these interactionswas modulated by the redox state of the lignin oligomers, with thestrongest bond being observed for quinone derivatives. This dual-actionmechanism, which combines drug delivery and modulation of cellularsignaling, offers a promising “on/off” switch approachto enhance everolimus-based cancer therapies. Further in vivo studiesare warranted to validate these findings.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 7","pages":"950–963"},"PeriodicalIF":7.7,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148621736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Advances and Challenges in Atomic-Level Growth of Two-Dimensional Single Crystals 二维单晶原子级生长的研究进展与挑战。

IF 7.7

Precision Chemistry Pub Date : 2026-07-27 Epub Date: 2026-04-03 DOI: 10.1021/prechem.5c00317

Jinzong Kou, Xuping Shi, Fankai Zeng, Kaihui Liu, Xiaozhi Xu

{"title":"Advances and Challenges in Atomic-Level Growth of Two-Dimensional Single Crystals","authors":"Jinzong Kou, Xuping Shi, Fankai Zeng, Kaihui Liu, Xiaozhi Xu","doi":"10.1021/prechem.5c00317","DOIUrl":"10.1021/prechem.5c00317","url":null,"abstract":"The exceptional electronic, optical,and quantum properties oftwo-dimensional (2D) single crystals have driven extensive researchefforts aimed at developing scalable epitaxial methods for next-generationtechnologies. Of the various approaches available, atomic-level epitaxialgrowth has emerged as the most effective technique, enabling the epitaxyof wafer-scale single-crystal films with precise control over crystallographicorientation and thickness. However, it also presents significant challengesrelated to structural stability, lattice matching, and surface-interfacialengineering. In this review, we aim to summarize the latest representativeadvancements in the atomic-level epitaxy of large-area 2D single crystals,including conductors (e.g., graphene and borophene), semiconductors(e.g., phosphorene and transition metal dichalcogenides), and insulators(e.g., hexagonal boron nitride and metal oxides) and also discusstechniques for controlling defects and manipulating stacking order,highlighting strategies for achieving single nucleation, aligned multilayerislands, and heterostructure integration. Finally, we outline currentchallenges, such as thermodynamic instability, defect formation duringnucleation, and scalability limitations, as well as offer a forward-lookingperspective on how to accelerate the incorporation of 2D single crystalsinto next-generation electronic, optoelectronic, and quantum devices.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 7","pages":"890–910"},"PeriodicalIF":7.7,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148621723","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Single-Atom Supports: Versatile Platforms for Regulating Electrocatalysts at the Atomic Level 单原子支持：在原子水平上调节电催化剂的通用平台。

IF 7.7

Precision Chemistry Pub Date : 2026-07-27 Epub Date: 2026-04-11 DOI: 10.1021/prechem.5c00414

Ming Yuan, Wenjun Guo, Jiongcan Xiang, Dongqi Yang, Panpan Li, Zhaoyu Jin, Guihua Yu

{"title":"Single-Atom Supports: Versatile Platforms for Regulating Electrocatalysts at the Atomic Level","authors":"Ming Yuan, Wenjun Guo, Jiongcan Xiang, Dongqi Yang, Panpan Li, Zhaoyu Jin, Guihua Yu","doi":"10.1021/prechem.5c00414","DOIUrl":"10.1021/prechem.5c00414","url":null,"abstract":"Atomic-level control of metal–support interfacesis a keylever for electrocatalysis with low energy input, high selectivity,and long-term durability. While single-atom catalysts maximize atomutilization and provide well-defined coordination motifs, their isolatedsites can limit cooperativity and compromise stability under the operatingconditions. Single-atom support (SAS) overcomes these constraintsby embedding atomically dispersed metal centers into the support frameworkas electronically active modulation units, enabling strong metal–supportinteractions (SMSI), directional charge migration, and programmablecoupling with clusters or nanoparticles. This review summarizes atomic-levelregulation strategies for SAS-enabled composite catalysts and extractsstructure–function principles across the hydrogen evolutionreaction (HER), oxygen evolution reaction (OER), oxygen reductionreaction (ORR), CO2 reduction reaction (CO2RR),and electrocatalytic nitrate reduction reaction (NO3RR).We highlight four regulation modes: coordination engineering (coordinationnumber, heteroatom, and axial ligation), spin-state control, defectengineering (vacancies and edges), and geometric tailoring (confinementand curvature/strain), which jointly tune ligand fields, d-band descriptors,intermediate binding, and interfacial transport. Remaining challengesinclude predictive design, operando tracking of dynamic active structures,unified descriptor frameworks, and scalable synthesis under industrialconditions. We finally outline a closed-loop roadmap integrating data-drivenprediction, stimuli-responsive modulation, multimodal operando characterization,and feedback learning.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 7","pages":"911–928"},"PeriodicalIF":7.7,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148621714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

PASPT2: A Size-Extensive and Size-Consistent Partial-Active-Space Multistate Multireference Second-Order Perturbation Theory for Strongly Correlated Electrons PASPT2：一个尺寸扩展和尺寸一致的强相关电子的部分有源空间多态多参考二阶微扰理论

IF 7.7

Precision Chemistry Pub Date : 2026-07-27 Epub Date: 2026-02-23 DOI: 10.1021/prechem.5c00408

Chunzhang Liu, Ning Zhang, Wenjian Liu

{"title":"PASPT2: A Size-Extensive and Size-Consistent Partial-Active-Space Multistate Multireference Second-Order Perturbation Theory for Strongly Correlated Electrons","authors":"Chunzhang Liu, Ning Zhang, Wenjian Liu","doi":"10.1021/prechem.5c00408","DOIUrl":"10.1021/prechem.5c00408","url":null,"abstract":"A partial-active-space (PAS) multistate (MS) multireference second-order perturbation theory (MRPT2) for the electronic structure of strongly correlated systems of electrons, dubbed PASPT2, is formulated by linearizing the intermediate normalization-based general-model-space state-universal coupled-cluster theory with singles and doubles [IN-GMS-SU-CCSD; J. Chem. Phys. 119, 5320 (2003)]. In contrast to the existence of disconnected terms in the IN-GMS-SU-CCSD amplitude equations, the disconnected terms in the PASPT2 amplitude equations can be avoided completely by choosing a special reference-specific zeroth-order Hamiltonian. The corresponding effective/intermediate Hamiltonian can also be made connected and closed, rendering the energies obtained by diagonalization fully connected. As such, PASPT2 is strictly size-extensive, in sharp contrast with the parent IN-GMS-SU-CCSD. It is also size-consistent when the PAS of a supermolecule is chosen to be the direct product of those of the physically separated, noninteracting fragments. Prototypical systems are taken as showcases to reveal the efficacy of PASPT2.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 7","pages":"997–1015"},"PeriodicalIF":7.7,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148612920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Supramolecular Maleimide–Styrene Copolymers with Fluorophenyl Side Chains for High-Performance Guest–Host Electro-Optic Materials 带氟苯基侧链的超分子马来酰亚胺-苯乙烯共聚物用于高性能主客光电材料。

IF 7.7

Precision Chemistry Pub Date : 2026-07-27 Epub Date: 2026-02-17 DOI: 10.1021/prechem.5c00365

Danning Lyu, Shivani Pathania, Jingdong Luo

{"title":"Supramolecular Maleimide–Styrene Copolymers with Fluorophenyl Side Chains for High-Performance Guest–Host Electro-Optic Materials","authors":"Danning Lyu, Shivani Pathania, Jingdong Luo","doi":"10.1021/prechem.5c00365","DOIUrl":"10.1021/prechem.5c00365","url":null,"abstract":"This study reports the precise molecular design of maleimide-styrenealternating copolymers, poly(MI-alt-S), as host polymersfor supramolecular guest–host electro-optic (EO) materials,combining a benchmark push–pull tetraene chromophore to achieveperformance optimization. Leveraging the inherent sequence control,high glass transition temperature, and synthetic versatility of poly(MI-alt-S), four fluorophenyl-substituted copolymers were synthesizedto incorporate three to five fluorine atoms onto the phenyl side chains,tuning the weak hydrogen bonding interactions. Guided by theoreticalcalculations, this work encompasses monomer synthesis, copolymerization,and spectroscopic characterization of fluorobenzyl ether-functionalizedpoly(MI-alt-S) polymers to reveal how subtle variationsin fluorine substitution govern nanoscale morphology, critical crackingthickness, electric field poling, and EO performance of guest–hostpolymers. EO activity, polar order, and thermal stability of poledfilms were evaluated using high-accuracy attenuated total reflection(ATR) measurement. Notably, two of the polymers demonstrated largeand thermally stable EO coefficients of ∼170 pm/V at 1306 nmand ∼100 pm/V at 1541 nm, among the best ATR-validated performancesfor guest–host polymers. These findings highlight that tailorednonclassical hydrogen bonds from fluorophenyl side chains effectivelybalance intermolecular interactions, mechanical properties, orientationalpolarization, and thermal stability, illustrating how molecular-levelprecision in the design of guest–host EO polymers translatesinto optimized photonic functionality.","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 7","pages":"973–984"},"PeriodicalIF":7.7,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148621671","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, π-Stacking and Application of Tetraethynyl Dioxotriangulenes 四乙基二氧三角烯的合成、π -堆叠及应用。

IF 7.7

Precision Chemistry Pub Date : 2026-07-27 Epub Date: 2026-03-02 DOI: 10.1021/prechem.5c00444

Huishu Ma, Jiawei Peng, Zheng Zhou, Shilong Su, Hung Kay Lee, Xin Xie, Jun Yang, Qian Miao

引用次数: 0