Precision Chemistry最新文献

{"title":"Toward Precision Bioconjugation: Chemical Strategies for Site-Selective Cysteine Conjugation","authors":"Katerina Gavriel,&nbsp;Kevin Neumann","doi":"10.1021/prechem.5c00323","DOIUrl":"10.1021/prechem.5c00323","url":null,"abstract":"<p>The ability to access atomically tailored complex peptidesandproteins provides powerful opportunities for dissecting molecularfunctions and advancing applications in chemical biology, therapeutics,and (bio)materials science. Robust precision-engineering strategiesare essential to construct well-defined protein architectures whilepreserving native folding and activity. To do so, chemoselective bioconjugationtechniques have been developed to modify specific side chains of aminoacids. This allowed for the selective introduction of functionalitieson predetermined amino acids. However, ultimate control can be achievedonly through site-selective modifications that precisely define boththe nature of the linkage and the exact position of conjugation onelongated peptide sequences or fully assembled proteins. Cysteineresidues are of particular interest, as their highly nucleophilicthiols offer excellent chemoselectivity and typically occur in lowabundance in their reduced form. Here, we examine chemoselective transformationstargeting cysteine residues that have been further refined to occurexclusively at predefined positions within a peptide or protein, therebyachieving a high degree of site-selectivity. This review focuses exclusivelyon chemical strategies for cysteine modification, offering guidancefor future synthetic developments within the field of precision chemistry.Achieving this level of precision requires advanced chemical strategiesthat exploit the local environment of the targeted cysteine. One approachinvolves leveraging neighboring functional groups, for example, engagingthe thiol together with the α-amine or carboxylate to enableselective N- or C-terminal modification, respectively. In such designs,the cysteine side chain may contribute through transient interactions,direct incorporation into the covalent linkage, or the stabilizationof the desired product. Recently, a promising strategy has attractedincreasing attention in which site-selectivity is enabled by temporaryinteraction with a proximal amine, thus being applicable to differentiatealso between internal cysteines. Together, these strategies highlightthat site-selective protein modification has evolved into a powerfultool for the rational design and functional control of complex biomolecules,redefining what is achievable in chemical biology, therapeutics, andbiomaterials science. We anticipate that increasingly routine or user-friendlyapproaches such as the programmable TriTEx method will further acceleratethe adoption of precision biomolecule conjugates in both researchand industrial settings.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"712–727"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333480","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}

{"title":"Infrared Spectra Prediction for a Carbonyl Group Utilizing a Graph Network Approach","authors":"Jie Shi,&nbsp;Chengchun Liu,&nbsp;Fanyang Mo","doi":"10.1021/prechem.5c00332","DOIUrl":"10.1021/prechem.5c00332","url":null,"abstract":"<p>Infrared spectroscopy stands as a formidable analyticaltool, ubiquitouslyemployed across materials science and biomedical research. Yet, manualinterpretation of spectral data remains a laborious and time-intensiveendeavor. Carbonyl groups, pervasive in organic compounds, such asnatural products, pharmaceuticals, and peptides, demonstrate bothcompelling predictive potential and critical diagnostic significancefor interpretable spectral analysis. This work harnesses experimentallymeasured spectroscopic data from chemical literature, constructinga robust data set to propel efficiency. We introduce NE-GNN, a specializedfeature extraction approach synergizing proximal structural analysiswith graph neural networks─a method that marries predictiveaccuracy with interpretability. By leveraging this chemically intuitiveframework, NE-GNN achieves remarkable precision in predicting carbonylgroup peaks in infrared spectra. Beyond accelerating machine learningapplications in spectroscopic analysis, this strategy supports data-drivendiscovery in chemistry.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"782–792"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333530","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}

{"title":"Flavor-Enhancing Pentapeptide AGPNY from Tomato Proteins: Potential Dual-Targeting of Umami Receptors T1R1/T1R3 and GRM1 through Computational-Experimental Synergy","authors":"Lvzhou Zhu,&nbsp;Hao Zhang,&nbsp;Pengyin Zhang,&nbsp;Jinyang Zhu,&nbsp;Leixiao Cui,&nbsp;Lipeng Xu,&nbsp;Chunjiang Li,&nbsp;Shuai Yao,&nbsp;Yaming Shan,&nbsp;Yuhua Shi,&nbsp;Song Wang","doi":"10.1021/prechem.6c00011","DOIUrl":"10.1021/prechem.6c00011","url":null,"abstract":"<p>This study establishes a multidimensional screening-verificationframework for the precise identification of umami peptides from tomato(<em>Solanum lycopersicum</em>) proteins andthe atomic-level elucidation of their dual-targeting mechanisms. Byintegrating bioinformatic virtual hydrolysis, ADMET-based safety profiling,and machine learning (Mlp4Umami) predictions, a 639-member peptidelibrary was systematically prioritized. Molecular docking and 200ns molecular dynamics (MD) simulations were employed to evaluate thebinding landscapes of candidates with umami receptors T1R1/T1R3 andthe metabotropic glutamate receptor 1 (GRM1). Experimental validationvia electronic tongue and sensory evaluation identified a pentapeptide,AGPNY, as a potent flavor enhancer with a remarkably low thresholdof 0.0625 mg/mL─approximately 4.8-fold more potent than monosodiumglutamate (MSG). MM/GBSA binding free energy analysis and per-residuedecomposition revealed that electrostatic interactions are the primarydriving force for binding. Specifically, AGPNY is anchored withinreceptor pockets through an intricate hydrogen-bonding and salt-bridgenetwork with key residues, notably Asp147 and Arg277 in T1R1. Thisintegrated “computational prediction–molecular simulation–experimentalvalidation” paradigm provides a high-precision methodologicalframework for the discovery of plant-derived flavor enhancers andoffers significant implications for the rational design of functionalfood additives.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"877–889"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333390","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}

{"title":"Compositional Complexity in High-Entropy Oxides Optimizes Colloidal Stability and Pool Boiling Heat Transfer","authors":"Keval Bharatbhai Suthar,&nbsp;Manjula M. Kandage,&nbsp;Md Moynul Hasan,&nbsp;Saketh Merugu,&nbsp;Michal Marszewski,&nbsp;Anju Gupta","doi":"10.1021/prechem.5c00360","DOIUrl":"10.1021/prechem.5c00360","url":null,"abstract":"<p>High-entropy oxides (HEOs) represent a class of functionalmaterialswhose interfacial chemistry and colloidal behavior remain poorly understood,limiting their development for demanding applications. This work establisheshow compositional complexity in multielement oxide systems governsboth colloidal stability and functional performance through a systematicinvestigation of eight HEO compositions in pool boiling experiments,where thermal gradients and active nucleation simultaneously testthese properties under demanding conditions. Results demonstrate thatHEOs with five or more equimolar elements exhibit enhanced dispersionstability compared to lower-entropy oxide systems due to configurationalentropy effects, providing thermodynamic resistance to particle aggregation.Configurational entropy values of 13.38–14.90 J/mol·Kexceed the critical 1.5R threshold for entropy-stabilized phases.Y-HEO, featuring yttrium combined with equimolar Co, Cr, Fe, Mn, andNi, achieved superior performance with a 63% critical heat flux enhancementand a 135% heat transfer coefficient improvement relative to the deionizedwater baseline at 0.05 wt % concentration. Comprehensive surface characterizationrevealed that multielement oxide composition creates unique interfacialproperties: contact angle reduced from 96° to 62°, minimalhysteresis of ∼12° enabling rapid rewetting, and surfaceroughness increased by 170%, establishing abundant nucleation siteswith dramatically reduced superheat requirements. These combined effects─enhancedcolloidal stability from configurational entropy, superior interfacialchemistry from compositional heterogeneity, and optimized wettabilityfrom multielement cation coordination─synergistically producedexceptional thermal performance. This work demonstrates that the precisiondesign of multielement oxide composition directly translates fundamentalmaterials chemistry principles into functional advantages in thermalapplications.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"793–810"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333416","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}

{"title":"Dual-Function Electrocatalytic Activity Unleashed by FeMo-Graphdiyne@Ni3S2 with Engineered Heterointerfaces","authors":"Yan Jiang,&nbsp;Hongli Jia,&nbsp;Manyu Liu,&nbsp;Muling Zeng,&nbsp;Tianyang Li,&nbsp;Xiaoyu Jia,&nbsp;Luping Zeng,&nbsp;Bo Yao,&nbsp;Nan Wang,&nbsp;Mei Wu,&nbsp;Zhiyu Jia","doi":"10.1021/prechem.5c00412","DOIUrl":"10.1021/prechem.5c00412","url":null,"abstract":"<p>In this study, graphdiyne (GDY) wasgrown in situ on sulfide surfacesderived from polyoxometalate (POM) to construct sp-C–S–Mheterointerfaces between metal sulfides (Fe₃S₄ and MoS₂) and GDY, thereby enabling highly efficientbifunctional oxygen evolution reaction (OER) and hydrogen evolutionreaction (HER) electrocatalysis. Experimental results reveal thatthe heterointerface configuration enhances the synergistic interactionbetween the POM-derived sulfides and GDY, promoting rapid charge transferand increasing the number of active sites, which collectively boostthe intrinsic catalytic activity. At a current density of 10 mA cm^–2, the catalyst demonstrates low overpotentials of132 mV for the HER and 218 mV for the OER and exhibits excellent catalyticactivity. This work systematically clarifies the critical roles ofelectronic interaction and interfacial architecture between POM-derivedcomponents and GDY in enhancing HER and OER activities, offering aneffective strategy for the design and construction of high-performanceelectrocatalysts.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"841–849"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333399","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}

{"title":"Chemically Recyclable Thermoplastic Elastomers: Preparation, Properties, and On-Demand Depolymerization","authors":"Yingying Liu,&nbsp;Yong Shen","doi":"10.1021/prechem.5c00441","DOIUrl":"10.1021/prechem.5c00441","url":null,"abstract":"<p>Great advancements have been achievedin the past decade for chemicallyrecyclable polymers that can be selectively depolymerized back totheir monomers to address the end-of-life issue of plastics. Nevertheless,the technologically important thermoplastic elastomers (TPEs) withon-demand depolymerization property have received less attention largelydue to their intrinsically complicated multiblock architectures andchallenges involved in the selective chemical recycling of differentmonomers. This review highlights the recent achievements of chemicallyrecyclable TPEs by focusing on their preparation, mechanical properties,and on-demand depolymerization and recycling. A variety of TPEs areintroduced according to their backbone, including copolyesters, polyurethanes,and polyolefins. The dynamically cross-linked elastomers with chemicalrecyclability are also briefly discussed. Finally, the current challengesand possible future directions for chemically recyclable TPEs arealso addressed.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"728–740"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333373","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}

{"title":"Field-Programmable Dynamic Catalytic Technology to Make Catalyst Intelligent","authors":"Haoran Zhang,&nbsp;Yuen Wu","doi":"10.1021/prechem.5c00397","DOIUrl":"10.1021/prechem.5c00397","url":null,"abstract":"<p>Conventional heterogeneous catalystsare constrained by staticatomic structures, which are ill-suited for the diverse requirementsof multistep reactions. This article introduces Field-ProgrammableDynamic Catalysis (PDC), a paradigm enabling real-time, reversibleprogramming of atomic structures via external fields and intelligentfeedback. Using copper-based liquid metal catalysts, we demonstrateadaptive restructuring that optimizes methane oxidation performance.With magnetically tunable iron-based catalysts, we achieve reversibleswitching between atomically dispersed and clustered states, thusvalidating on-demand control over reaction pathways. This paradigmholds great promise for inert small molecule activation, such as nitrogenconversion, yet key challenges remain in boosting liquid metal surfacearea and designing scalable reactors. To address this multidimensionalcomplexity, artificial intelligence is indispensable for acceleratingthe discovery and development of advanced PDC catalysts. Ultimately,PDC transforms catalysts from passive materials into active information-processingsystems, enabling intelligent and precise chemical control at theatomic scale.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"690–693"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333381","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}

{"title":"Multivariate Synergy and Two-Dimensional Confinement: Research Progress and Opportunities of Two-Dimensional High-Entropy Alloys","authors":"Shan Peng,&nbsp;Haoyuan Jiang,&nbsp;Zihao Cheng,&nbsp;Xiaolin Wang,&nbsp;Debing Long","doi":"10.1021/prechem.5c00231","DOIUrl":"10.1021/prechem.5c00231","url":null,"abstract":"<p>As an emerging material system thatintegrates high-entropy alloyswith two-dimensional (2D) materials, 2D high-entropy alloys (HEAs)have attracted significant research interest. They combine the compositionaltunability and multivariate synergy of HEAs with the quantum confinementand high specific surface area of 2D materials. This review comprehensivelysummarizes recent advances in 2D HEAs. We begin by elaborating ontheir fundamental concepts, structural characteristics, and performanceadvantages. Subsequently, we delve into various synthesis strategies,such as chemical vapor deposition, solvothermal methods, template-assistedapproaches, and space-confined chemical vapor transport, criticallyanalyzing their strengths and limitations. The review also providesa detailed analysis of key structural features, including crystalstructure, elemental distribution, and surface morphology. Furthermore,we highlight the promising applications of 2D HEAs in electrocatalysis(e.g., hydrogen evolution, oxygen evolution, and oxygen reductionreactions), energy storage (batteries and supercapacitors), sensing,and organic catalysis. Finally, we discuss the current challengesand future research directions, aiming to offer a systematic referencefor further development and practical application of 2D HEA materials.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"694–711"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333514","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}

{"title":"Windowed Symmetry Pulses for Enhanced Heteronuclear Dipolar Recoupling in Solid-State MAS NMR","authors":"Hao Gu,&nbsp;Lixin Liang,&nbsp;Daoning Wu,&nbsp;Xinlong Yao,&nbsp;Guangjin Hou","doi":"10.1021/prechem.5c00364","DOIUrl":"10.1021/prechem.5c00364","url":null,"abstract":"<p>Dipolar recoupling techniques play a fundamental rolein solid-stateNMR spectroscopy, enabling precise structural characterization ofsolid materials under magic-angle spinning (MAS). Among these, thesupercycled <em>R</em>4<span><span>²₁</span></span> (SR4) stands out for its efficiency and stabilityin recoupling heteronuclear dipolar interactions under fast MAS conditions(≥40 kHz). However, its performance significantly degradesat slow-to-moderate MAS rates (&lt;35 kHz), which restricts its wideapplications. To overcome this limitation, herein we introduce a practicalmodification of SR4 through the strategic incorporation of adjustablewindow delays between the recoupling π pulses, dubbed windowedSR4 (wSR4). This design introduces the variability of pulse durationand rf amplitude, which simplifies the recoupling optimization procedure,while enabling enhanced recoupling performance and improved toleranceto experimental imperfections. Theoretical analysis and NMR experimentscollectively confirm that wSR4 substantially boosts heteronucleardipolar recoupling efficiency while effectively suppressing undesiredspin interactions, particularly under slow MAS conditions. The practicalutility of wSR4 is further validated in <em>in situ</em> NMRexperiments on SAPO zeolite, where the markedly improved 2D correlationspectroscopy provides deeper insights into local structures. Thisapproach enables precise dipolar measurement, efficient polarizationtransfer, and the establishment of high-fidelity heteronuclear correlations,all of which are critical for structural elucidation in complex solidsystems. Moreover, the windowed SR4 design strategy introduced hereis expected to provide a generalizable framework for optimizing symmetry-basedrecoupling sequences across a wide range of MAS conditions.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"811–820"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333539","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}

{"title":"Magnetic-Field-Assisted CO2 Electroreduction at Precision-Engineered Ga–Gd Oxide Nanodomain Interfaces","authors":"Mohammad Karbalaei Akbari,&nbsp;Kumar Shrestha,&nbsp;Noor Aljammal,&nbsp;Alireza Pourvahabi Anbari,&nbsp;Yanbin Cui,&nbsp;Serge Zhuiykov","doi":"10.1021/prechem.5c00435","DOIUrl":"10.1021/prechem.5c00435","url":null,"abstract":"<p>Liquid-metal-derived catalysts offer a unique platformfor precisionchemistry by enabling structurally adaptive interfaces unconstrainedby rigid lattices. Here, we report a magnetically responsive Ga–Gdcatalytic system in which ultrafine, surface-localized Gd-rich oxidenanodomains form within a liquid-metal-derived Ga₂O₃ matrix and enable field-sensitive electrochemical CO₂ conversion. Controlled thermal annealing transforms disorderedGa–Gd composites into a defect-suppressed β-Ga₂O₃ framework decorated with nanometric Gd₂O₃ domains, establishing localized electronic and paramagneticenvironments without bulk lattice substitution. Atomic-resolutionmicroscopy, XRD, Raman spectroscopy, XPS/UPS, and solid- and liquid-stateNMR reveal annealing-induced suppression of defect states, relaxationof surface dipoles, and emergence of localized magnetic interactionsat the Ga–Gd–O interface. Under electrochemical CO₂ reduction, annealed Ga–Gd electrodes exhibit pronouncedmagnetic modulation of activity, with CO₂ conversion increasingfrom ∼10% at zero field to ∼14–15% under a 200mT magnetic field (enhancement factor ∼ 1.4–1.5). Product-resolvedspectroscopy confirms selective formation of CO (up to ∼0.42mmol g^–1 h^–1) and CH₃OH (up to ∼0.18 mmol g^–1 h^–1) while excluding hydrocarbon and C–C coupling pathways. Themagnetic enhancement is potential-selective and confined to the CO₂ activation window, indicating field-sensitive interfacialkinetics rather than bulk transport effects. These results highlighthow ultrafine oxide nanodomains within liquid-metal-derived catalystscan serve as precision-defined, reconfigurable interfacial motifswhose electrochemical reactivity can be dynamically modulated by externalmagnetic fields, advancing controllable CO₂ conversionwithin the framework of precision chemistry.</p>","PeriodicalId":29793,"journal":{"name":"Precision Chemistry","volume":"4 6","pages":"850–866"},"PeriodicalIF":7.7,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148333541","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}