LangmuirPub Date : 2025-09-19DOI: 10.1021/acs.langmuir.5c02629
Oleg V. Kondrashov, , , Tatyana I. Rokitskaya, , , Zaret G. Denieva, , , Sergey A. Akimov*, , and , Yuri N. Antonenko,
{"title":"Adsorption of Bovine Serum Albumin to Lipid Membranes Increases the Number and Stability of Ion Channels of Gramicidin A","authors":"Oleg V. Kondrashov, , , Tatyana I. Rokitskaya, , , Zaret G. Denieva, , , Sergey A. Akimov*, , and , Yuri N. Antonenko, ","doi":"10.1021/acs.langmuir.5c02629","DOIUrl":"10.1021/acs.langmuir.5c02629","url":null,"abstract":"<p >Local mechanical properties of lipid membranes participate in the regulation of biological processes. Adsorption of peripheral proteins may induce lateral inhomogeneity in membranes. We studied the interaction of bovine serum albumin (BSA) with lipid membranes and its effect on the characteristics of ion channels formed by gramicidin A (gA). We proposed a qualitative mechanism for the induction of local membrane deformations by adsorbed BSA molecules. In the presence of gA in the membrane, BSA adsorption changes the characteristics of the transmembrane ion current, presumably due to gA-BSA lateral interactions mediated by membrane deformations induced by gA and BSA. With the one-sided addition of gA to the membrane, subsequent one-sided or two-sided addition of BSA significantly increased the gA-mediated ion current. We assumed that this is due to an increase in the rate of equalization of the gA concentration in two membrane monolayers by its transition through the membrane (flip-flop). In addition, it was experimentally observed that the addition of BSA to a membrane with symmetrically inserted gA increased the ion current many-fold, suggesting an increase in the average number of conducting gA dimers. An increase in the average lifetime of the gA channels was also shown. We developed a theoretical model that accounts for membrane deformations in three states of gA in the membrane: two monomers, coaxial pair, and conducting dimer. The calculated energy of membrane deformations in these states depended strongly on the presence of BSA, leading to the shift of the monomer–dimer equilibrium of gA toward dimers. The model qualitatively describes the experimentally observed effects of BSA on the characteristics of the gA channel.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"25992–26010"},"PeriodicalIF":3.9,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145089010","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":"High-Performance Carbon-Nanotube-Based Supercapacitors at a Wide Temperature Range: Geometrical Effect on Diffusion of Electrolytic Ions","authors":"Yunkuo Sun, , , Baohong Ding*, , , Yonghua Jiao, , and , Wei Sun*, ","doi":"10.1021/acs.langmuir.5c02191","DOIUrl":"10.1021/acs.langmuir.5c02191","url":null,"abstract":"<p >Supercapacitors (SCs) characterized by excellent charge and discharge rates, high power density, and stable cycling performance, exhibit crucial applications in various fields, while it faces significant performance degradation at low temperature. Herein, we systematically investigate the electrochemical performances of carbon nanotube (CNT)-based SCs over a temperature range of −18 to 60 °C and establish quantitative relationships between CNT geometry and temperature-dependent electrochemical kinetics in symmetric SCs. The results and analysis supported by electrochemical impedance spectroscopy (EIS) with Warburg diffusion analysis, Arrhenius modeling of ion diffusion kinetics, and multiterm self-discharge modeling reveal exceptional low-temperature resilience where CNT-based SCs retain >85% peak specific capacitance (75.76 F/g at 0.5 A/g) with 87% rate retention at 20 A/g (−18 °C), attributable to minimized diffusion barriers in CNTs with shorter length and wider channel that reduce Arrhenius activation energy by 33% (CNT-8-L: <i>Q</i> = 15.40 kJ/mol vs CNT-3-L: 23.07 kJ/mol). In addition, a symmetric CNT-based SC is successfully employed to power a digital thermometer. The self-discharge compensation effect enables optimized energy deliver of the CNT-based SC for over 40 min to the digital thermometer at −18 °C (approximately 4 times longer than at 60 °C) through suppression of current leakage as well as ion diffusion, although the specific capacitance is lower. The experimental findings and analyses contribute to the design and optimization of CNT geometries for low-temperature applications and deepen our understanding of the underlying energy storage mechanisms.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"25903–25918"},"PeriodicalIF":3.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145078286","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}
LangmuirPub Date : 2025-09-18DOI: 10.1021/acs.langmuir.5c03933
Tao Chen, and , Puqing Jiang*,
{"title":"Simultaneous, Non-Contact Measurement of Liquid and Interfacial Thermal Properties via a Differential Square-Pulsed Source Method","authors":"Tao Chen, and , Puqing Jiang*, ","doi":"10.1021/acs.langmuir.5c03933","DOIUrl":"10.1021/acs.langmuir.5c03933","url":null,"abstract":"<p >Accurate characterization of heat transport across solid–liquid interfaces is essential for thermal management in micro- and nanoscale systems. Yet existing techniques often require prior knowledge of liquid properties, which complicates the simultaneous resolution of interfacial and bulk behaviors, and lose sensitivity once interfacial conductance exceeds 100 MW m<sup>–2</sup> K<sup>–1</sup>. Here we present a differential square-pulsed source (DSPS) method that provides simultaneous, noncontact measurement of liquid thermal conductivity, volumetric heat capacity, and solid–liquid interfacial conductance without any predefined liquid parameters. Dual-frequency excitation combined with in situ substrate referencing enables property extraction from multilayer structures, and numerical simulations show a typical uncertainty of about 8% in interfacial conductance, confirming robustness. The protocol is validated for a wide spectrum of liquids, including oils, lubricants, aqueous electrolytes, and pure water, with excellent agreement with literature values for bulk properties. Analysis of the data set clarifies how vibrational-spectrum mismatch, ionic layering, and related interfacial phenomena govern heat transfer, and demonstrates that oleophilic hexadecyl silane modification of aluminum increases interfacial conductance by a factor of 16. The results reveal that conductance can be strongly tuned through surface wettability and chemical functionalization, offering direct guidelines for interface engineering. Because the approach is readily extendable to soft materials such as thermal-interface gels, it promises broad applicability in emerging interface-dominated thermal technologies.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"26496–26504"},"PeriodicalIF":3.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145083941","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":"Molecular Dynamics Simulation of CO2 Molecular Behaviors in Silica Nanopores: Effect of Nanoscale Surface Roughness","authors":"Hongye Xu, , , Yunfeng Liang, , , Naipeng Zhao, , , Jiangtao Pang*, , and , Fulong Ning*, ","doi":"10.1021/acs.langmuir.5c02839","DOIUrl":"10.1021/acs.langmuir.5c02839","url":null,"abstract":"<p >Nanoscale roughness of reservoir skeleton surfaces inevitably affects the CO<sub>2</sub> geo-sequestration, and its exact microscopic mechanism remains elusive. Here, nanosecond molecular dynamics (MD) simulations were performed to investigate this effect with silica nanopore models. We classified the surface into “nano-valleys” and “nano-peaks” by the median <i>z</i>-coordinate of surface atoms and further divided nanovalleys into shallow and deep types. The results demonstrate that the nanovalleys can trap CO<sub>2</sub> molecules, resulting in lower CO<sub>2</sub> diffusivity and higher local concentration compared to nanopeaks. Generally, the total CO<sub>2</sub> quantity on nanovalleys and nanopeaks is increasing as surface roughness increases. A further exploration shows that the CO<sub>2</sub> concentration of the deep valley is always higher than that of the shallow valley under the same degree of roughness and exhibits an increasing trend as surface roughness increases. Furthermore, CO<sub>2</sub> molecules enter nanovalleys vertically and adsorb parallel to the surface, while water molecules orient randomly. In a high CO<sub>2</sub> concentration system, CO<sub>2</sub> nanobubbles are observed in nanovalleys. The nanobubbles are smaller but more numerous as the surface roughness increases. In a dual-phase system, the boundary between CO<sub>2</sub> and liquid phases connects the nanopeaks of top and bottom layers, embedding the CO<sub>2</sub> phase in concaves, which indicates the restrictive effect of nanopores on the CO<sub>2</sub> phase. These molecular insights confirm the accumulation and retention of prestored CO<sub>2</sub> due to nanoscale roughness on the reservoir surface.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"26088–26101"},"PeriodicalIF":3.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145078285","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}
LangmuirPub Date : 2025-09-18DOI: 10.1021/acs.langmuir.5c02942
Hongchun Zheng, , , Song Ling, , , Bo Kong*, , , Tixian Zeng*, , , Shan Jiang, , and , Wentao Wang*,
{"title":"Donor and Acceptor Characteristics of Group IV and VII Doped BiNbO4: A Hybrid Density Functional Investigation","authors":"Hongchun Zheng, , , Song Ling, , , Bo Kong*, , , Tixian Zeng*, , , Shan Jiang, , and , Wentao Wang*, ","doi":"10.1021/acs.langmuir.5c02942","DOIUrl":"10.1021/acs.langmuir.5c02942","url":null,"abstract":"<p >This work systematically investigates the intrinsic defect behavior and corresponding conductivity type of BiNbO<sub>4</sub> under different representative thermodynamic equilibrium growth conditions using hybrid density functional theory calculations. The modulation effects of group IVB (Ti, Zr, and Hf) and group VIIA (F, Cl, Br, and I) element doping on its conductivity and electronic and optical properties are also explored. It is revealed that, under Bi-rich, relatively Nb-rich, and O-poor conditions, the easy ionization of the main native defects V<sub>O1</sub> (two O vacancy types), Nb<sub>Bi</sub>, and unintentional H<sub>i</sub> as shallow donors promotes BiNbO<sub>4</sub> to exhibit an unintentional <i>n</i>-type conductivity character. Still, under O-rich, Bi-poor, and Nb-poor conditions, the ionization of the dominant defects V<sub>Bi</sub> as excellent acceptors makes it present an intrinsic <i>p</i>-type behavior. Therefore, this affirms the experimental observation of the <i>n</i>-type character in BiNbO<sub>4</sub> and predicts its <i>p</i>-type behavior. For extrinsic doping, the substitution of Ti on Nb (Ti<sub>Nb</sub><sup>1–</sup>) significantly enhances the <i>p</i>-type conductivity under the presence of O-rich conditions. Ti becomes the best <i>p</i>-type doping candidate for BiNbO<sub>4</sub> among the group IVB elements. In contrast, the substitution of F on O (F<sub>O</sub><sup>1+</sup>) effectively boosts the superior <i>n</i>-type conductivity under the O-poor conditions, and F is the best <i>n</i>-type doping candidate among group VIIA elements. Furthermore, the electronic structure and optical absorption analyses indicate that the major intrinsic defects V<sub>O1</sub><sup>1+</sup>, V<sub>O1</sub><sup>2+</sup>, and V<sub>Bi</sub><sup>3–</sup> and the optimal extrinsic doping Ti<sub>Nb</sub><sup>1–</sup> and F<sub>O</sub><sup>1+</sup> do not lead to deep-level recombination centers but instead serve as active sites for photocatalytic reactions, synergistically improving visible-light absorption and charge carrier concentration. In addition, it is found that interstitial Nb<sub>i</sub> and an O2 vacancy defects respectively induce significant visible light absorption, especially for Nb<sub>i</sub>. Thus, via the control of growth conditions and the optimization of doping elements, this study provides theoretical guidance on the intrinsic and extrinsic doping strategies for tuning the conductivity and other properties, further enhancing the photocatalytic performance of BiNbO<sub>4</sub>.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"26149–26165"},"PeriodicalIF":3.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145083940","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":"Effect of Oxygen-containing Functional Groups on the NO2 Adsorption and Reduction by Activated Carbon: A Density Functional Theory Calculation Study","authors":"Tong Hao, , , Qian Zhou, , , Jinyuan Jiang*, , , Mingyao Liu, , , Wei Tan, , , Haoyang Song, , , Lei He, , , Dongni Shi, , , Hongke Qin, , , Yajun Li, , and , XiaoJun Pan, ","doi":"10.1021/acs.langmuir.5c02885","DOIUrl":"10.1021/acs.langmuir.5c02885","url":null,"abstract":"<p >The activated carbon effectively removes nitrogen dioxide (NO<sub>2</sub>) gas from environmental air, and its adsorption-reduction performance is significantly influenced by surface oxygen-containing functional groups (OFGs). However, the internal mechanisms of different OFGs in the complete reaction processes remain unclear. Based on previous studies and experimental characterization results, this paper selects two typical carbon edge structure models and six different OFGs as fundamental models. Using density functional theory, wave function analysis, and thermodynamic and kinetic analyses, we comprehensively investigate the microscopic reaction pathways of the NO<sub>2</sub> molecule on carbon edge structures modified with OFGs. The results show that most OFGs inhibit NO<sub>2</sub> adsorption and N–O bond cleavage via van der Waals interactions, while their impact on NO desorption is negligible due to localized effects. Thermodynamic and kinetic analyses jointly validated these findings. Importantly, the results highlight that zigzag edge structures exhibit superior reactivity toward NO<sub>2</sub> reduction, suggesting that carbon materials prepared below 400 °C with minimal OFG incorporation are more favorable. This dual-optimization strategy provides practical guidance for enhancing the NO<sub>2</sub> conversion performance, offering a molecular-level foundation for the rational design of advanced carbon-based adsorbents or catalysts.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"26125–26139"},"PeriodicalIF":3.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145078287","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}
LangmuirPub Date : 2025-09-18DOI: 10.1021/acs.langmuir.5c02674
Luisa Guadalupe Cencha*, , , Alesio Nehuén Benitez, , , Nicolas Budini, , , Claudio Luis Alberto Berli, , and , Raul Urteaga,
{"title":"Directional Drying in Bilayer Porous Films: Funnel vs Ink-Bottle Geometries","authors":"Luisa Guadalupe Cencha*, , , Alesio Nehuén Benitez, , , Nicolas Budini, , , Claudio Luis Alberto Berli, , and , Raul Urteaga, ","doi":"10.1021/acs.langmuir.5c02674","DOIUrl":"10.1021/acs.langmuir.5c02674","url":null,"abstract":"<p >We investigate the drying dynamics of mesoporous silicon bilayers with controlled pore geometries during ethanol evaporation. Using Reflective Interferometric Fourier Transform Spectroscopy (RIFTS), we track the evolution of liquid saturation in each layer. We find that placing smaller pores atop larger ones─mimicking an ink-bottle geometry─can unexpectedly accelerate evaporation under specific thickness ratios. This behavior suggests a complex interplay of mass transport mechanisms beyond simple geometrical constraints. Additionally, we introduce a novel image-based method for spatially resolved saturation mapping over millimeter-scale areas, complementing the localized RIFTS measurements. Our results demonstrate that evaporation dynamics in porous films can be modulated through structural design, providing new experimental tools to study and tailor fluid transport in hierarchical porous materials.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"26044–26053"},"PeriodicalIF":3.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145083939","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":"Synergistic Charge Transfer-Enhanced Photocatalytic Degradation of Oxytetracycline and Cr(VI) Reduction Using Sm2O3/Ir@Bi2O3","authors":"Sanjenuganth B, , , Govindan Kadarkarai, , , Mamba Gcina, , , Maruthamani D, , and , Muthuraj Velluchamy*, ","doi":"10.1021/acs.langmuir.5c02639","DOIUrl":"10.1021/acs.langmuir.5c02639","url":null,"abstract":"<p >In this present investigation, a Sm<sub>2</sub>O<sub>3</sub>/Ir@Bi<sub>2</sub>O<sub>3</sub> ternary nanocomposite was fabricated using the hydrothermal method, and comprehensive physicochemical characterization was conducted to understand the morphology, crystal phase, optical behavior, and elemental composition. The prepared material was investigated for the degradation of oxytetracycline (OTC) and chromium(VI) reduction under UV–vis. irradiation. The Sm<sub>2</sub>O<sub>3</sub>/Ir@Bi<sub>2</sub>O<sub>3</sub> composite displayed the highest photocatalytic activity toward OTC mineralization (95% in 55 min) and Cr(VI) reduction (91% in 45 min), surpassing standalone Sm<sub>2</sub>O<sub>3</sub> and Bi<sub>2</sub>O<sub>3</sub>, due to the synergistic effect. These removal efficiencies correspond to rate constants of 0.073 min<sup>–1</sup> and 0.058 min<sup>–1</sup> for the degradation of the OTC and Cr(VI) reduction, respectively. These were 55 times and 40 times higher than the rates achieved using Sm<sub>2</sub>O<sub>3</sub> as a catalyst for OTC and Cr(VI) detoxification, respectively. The influence of various reaction conditions, such as catalyst dosage, pollutant concentration, pH, and inorganic ions, was studied during both the OTC and Cr(VI) pollution mitigation. Coexisting anions greatly governed the Sm<sub>2</sub>O<sub>3</sub>/Ir@Bi<sub>2</sub>O<sub>3</sub> photocatalytic performances. Reactive oxidative species trapping and EPR analyses revealed that the dominant reactive species follow the order HO<sup>•</sup> > O<sub>2</sub><sup>•–</sup> > h<sup>+</sup> > e<sup>–</sup> for OTC degradation and e<sup>–</sup> > O<sub>2</sub><sup>•–</sup> > h<sup>+</sup> > HO<sup>•</sup> for Cr(VI) reduction. The probable OTC degradation pathway involved both direct and indirect oxidation mechanisms, primarily decarboxylation, hydroxylation, and demethylation. This study demonstrated the successful development of a material with versatile photocatalytic properties. The high photocatalytic efficiency of the Sm<sub>2</sub>O<sub>3</sub>/Ir@Bi<sub>2</sub>O<sub>3</sub> nanocomposite in degrading antibiotics and reducing toxic heavy metals demonstrates its potential as a practical solution for advanced wastewater treatment in pharmaceutical and industrial effluents.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"26011–26029"},"PeriodicalIF":3.9,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145071904","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":"Mechanism of the Effect of Fe Doping on the CuO (111) Surface on the Reactivity and Water/Sulfur Resistance Performance of CuFe Layered Double Oxide Catalysts for Selective Catalytic Reduction of NO with C3H6: A DFT + U Study","authors":"Huqin Zheng, , , Yaxin Su*, , , Sameer Shahid, , , Yuhao Wang, , , Min Cui, , , Mingyu Su, , , Wenyi Deng, , , Bingtao Zhao, , and , Jarosław Zuwała, ","doi":"10.1021/acs.langmuir.5c03435","DOIUrl":"10.1021/acs.langmuir.5c03435","url":null,"abstract":"<p >Previous experimental research revealed the beneficial synergistic effect of Cu and Fe in CuFe-LDOs catalysts for C<sub>3</sub>H<sub>6</sub>–SCR. However, the intensive understanding of the reaction mechanism on the microscopic level remains limited. In this study, the configuration of Fe-doped CuO (111) surface was optimized, and the adsorption energy, charge distribution, projected density of states, transition state, and reaction pathway were calculated based on the density functional theory method. Results showed that doping with Fe significantly strengthened the adsorption of NO, O<sub>2</sub>, and C<sub>3</sub>H<sub>6</sub> molecules on the catalyst surface and boosted the electronic interactions. The excellent water-sulfur resistance of Fe atoms significantly minimized the negative effects of H<sub>2</sub>O/SO<sub>2</sub> on catalyst activity. The Cu–Fe synergistic effect reduced the energy barrier for NO oxidation from 1.08 to 0.56 eV and facilitated the formation of more stable nitrates. Meanwhile, the introduction of Fe raised the energy barrier for *H<sub>2</sub>O dehydrogenation from 0.07 to 0.46 eV, thus preserving more active sites. Furthermore, *OH adsorption on the Fe-CuO (111) surface was unstable, rendering the negative effect of H<sub>2</sub>O on the catalyst reversible. Comparing the reaction pathways of dynamic adsorption revealed that the C<sub>3</sub>H<sub>6</sub>–SCR reaction proceeded more easily when NO and O<sub>2</sub> were saturated before C<sub>3</sub>H<sub>6</sub> was adsorbed. The results of this study support the experimental findings and offer microscopic insights into Cu–Fe synergy in C<sub>3</sub>H<sub>6</sub>–SCR, aiding future improvements of these catalysts.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"26354–26366"},"PeriodicalIF":3.9,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145078295","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":"Constructing High-Efficiency Polyoxometalate-Based Antibacterial Hydrogels for Wearable Sensors","authors":"Min Ma, , , Chuang Li, , , Wenhui Fan, , , Yue Su*, , , Dongjie Guo*, , , Mingxue Li*, , and , Yuemin Zhou, ","doi":"10.1021/acs.langmuir.5c03209","DOIUrl":"10.1021/acs.langmuir.5c03209","url":null,"abstract":"<p >Conductive flexible hydrogel are widely used in wearable electronics owing to its desired conductivity, flexibility, adhesion, and mechanical properties similar to human tissue. Nevertheless, conductivity and bacterial infections are always critical issues for the long-term use of hydrogel wearable sensors. Herein, a multifunctional polyoxometalate-based hydrogel with both antibacterial and sensing performances are prepared by integrating polydopamine-functionalized polyoxometalates (POMs) particles into polyacrylamide matrix. To obtain rapid gelation times (to seconds), a dual autocatalytic system focused on lignin and copper ions was formed by activating ammonium persulfate to generate free radicals and initiating the free-radical polymerization of acrylamide monomers. The fabricated POM-based hydrogel exhibited high mechanical strength (135.8 kPa), conductivity (2.52 mS/cm), and antibacterial activity against Gram-positive/negative bacterial strains <i>Escherichia coli</i> (<i>E. coli</i>, 99.39%) and <i>Staphylococcus aureus</i> (<i>S. aureus</i>, 99.42%); thus, they were utilized as wearable sensors. These sensors also exhibited high stability and repeatability during 6000 s stretching/releasing cycles; therefore, it were used to monitor the human motions of finger, wrist, and elbow. Together, this strategy not only provides approaches for designing POM-based hydrogel materials but also expands the potential application of POMs in the advanced wearable strain sensors and antibacterial field.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 38","pages":"26261–26275"},"PeriodicalIF":3.9,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145071711","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}