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1.
J Environ Sci (China) ; 148: 476-488, 2025 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-39095182

RESUMEN

In this study, non-thermal plasma (NTP) was employed to modify the Cu/TiO2 adsorbent to efficiently purify H2S in low-temperature and micro-oxygen environments. The effects of Cu loading amounts and atmospheres of NTP treatment on the adsorption-oxidation performance of the adsorbents were investigated. The NTP modification successfully boosted the H2S removal capacity to varying degrees, and the optimized adsorbent treated by air plasma (Cu/TiO2-Air) attained the best H2S breakthrough capacity of 113.29 mg H2S/gadsorbent, which was almost 5 times higher than that of the adsorbent without NTP modification. Further studies demonstrated that the superior performance of Cu/TiO2-Air was attributed to increased mesoporous volume, more exposure of active sites (CuO) and functional groups (amino groups and hydroxyl groups), enhanced Ti-O-Cu interaction, and the favorable ratio of active oxygen species. Additionally, the X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) results indicated the main reason for the deactivation was the consumption of the active components (CuO) and the agglomeration of reaction products (CuS and SO42-) occupying the active sites on the surface and the inner pores of the adsorbents.


Asunto(s)
Cobre , Sulfuro de Hidrógeno , Oxidación-Reducción , Titanio , Titanio/química , Adsorción , Cobre/química , Sulfuro de Hidrógeno/química , Contaminantes Atmosféricos/química , Gases em Plasma/química , Modelos Químicos
2.
J Environ Sci (China) ; 147: 561-570, 2025 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-39003071

RESUMEN

In the present study, we investigated the influence of surface fluorine (F) on TiO2 for the photocatalytic oxidation (PCO) of toluene. TiO2 modified with different F content was prepared and tested. It was found that with the increasing of F content, the toluene conversion rate first increased and then decreased. However, CO2 mineralization efficiency showed the opposite trend. Based on the characterizations, we revealed that F substitutes the surface hydroxyl of TiO2 to form the structure of Ti-F. The presence of the appropriate amount of surface Ti-F on TiO2 greatly enhanced the separation of photogenerated carriers, which facilitated the generation of ·OH and promoted the activity for the PCO of toluene. It was further revealed that the increase of only ·OH promoted the conversion of toluene to ring-containing intermediates, causing the accumulation of intermediates and then conversely inhibited the ·OH generation, which led to the decrease of the CO2 mineralization efficiency. The above results could provide guidance for the rational design of photocatalysts for toluene oxidation.


Asunto(s)
Fluoruros , Oxidación-Reducción , Titanio , Tolueno , Tolueno/química , Titanio/química , Catálisis , Fluoruros/química , Procesos Fotoquímicos , Modelos Químicos
3.
J Environ Sci (China) ; 149: 234-241, 2025 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-39181638

RESUMEN

Reducing the cost of RuO2/TiO2 catalysts is still one of the urgent challenges in catalytic HCl oxidation. In the present work, a Ce-doped TiO2 supported RuO2 catalyst with a low Ru loading was developed, showing a high activity in the catalytic oxidation of HCl to Cl2. The results on some extensive characterizations of both Ce-doped TiO2 carriers and their supported RuO2 catalysts show that the doping of Ce into TiO2 can effectively change the lattice parameters of TiO2 to improve the dispersion of the active RuO2 species on the carrier, which facilitates the production of surface Ru species to expose more active sites for boosting the catalytic performance even under some harsh reaction conditions. This work provides some scientific basis and technical support for chlorine recycling.


Asunto(s)
Cerio , Ácido Clorhídrico , Oxidación-Reducción , Titanio , Titanio/química , Catálisis , Cerio/química , Ácido Clorhídrico/química , Compuestos de Rutenio/química , Cloruros/química , Modelos Químicos , Cloro/química
4.
J Colloid Interface Sci ; 678(Pt B): 431-445, 2024 Sep 05.
Artículo en Inglés | MEDLINE | ID: mdl-39255600

RESUMEN

This paper introduces a proof of concept for a dual-band electrochromic (EC) device to modulate solar light transmission across visible and near-infrared regions selectively. EC materials based on ion insertion/extraction mechanisms also present the possibility for energy storage, widening its functionality to the supercapacitor platform. The bi-functional performance of dual-band radiation control and energy storage was achieved by exploiting two earth-abundant metal oxides that could absorb two different spectral regions when electrochemically charged. The bilayer structure was prepared using a one-step hydrothermal method, which produced Nb2O5-TiO2 bilayer on fluorine-doped tin oxide (FTO) conducting glass substrates. The nano-dimensions of the active materials endorse the development of high-transparency thin film under open circuit conditions. The variations in the TiO2 annealing temperature influence the crystallinity and surface morphology of the thin films, which influence the performance of dual-band EC energy storage. The well-optimized NT-500 sample facilitated exclusive electron-charge transport, producing excellent electrochemical performance in dual-band EC and energy storage. A large optical modulation of 80.4 % and 89.8 % at 600 nm and 800 nm (near-infrared) was achieved with an enhanced areal capacitance of 88.1 mF/cm2 and excellent cycling stability after continuous coloring/bleaching cycles for 18,000 s. This paper presents a prototype bi-functional device based on NT-500, which showed independent control and modulation of visible and near-infrared transmittance. Notably, the device retained excellent energy storage performance alongside its advanced optical functionalities. This bilayer nanostructure capitalizes on the inherent electrochemical properties of both materials and introduces novel features that can potentially revolutionize the platform of EC-energy storage.

5.
Food Chem ; 463(Pt 1): 141103, 2024 Sep 04.
Artículo en Inglés | MEDLINE | ID: mdl-39255706

RESUMEN

This research used the photocatalyst rGO/TiO2 prepared by hydrothermal method to inhibit the growth of these microorganisms in water and coconut juice. In coconut juice, the initial count of Salmonella typhimurium decreased from 3 × 105 CFU /mL to 6.3 × 104 CFU /mL, and the initial count of L. monocytogenes was reduced from 3 × 105 CFU/mL to 1.2 × 105 CFU/mL. Moreover, the chemical structure characterization rGO/TiO2 showed that the doping of rGO formed a compact composite, enhanced the transfer of photogenerated electrons, and improved the photocatalytic efficiency of TiO2. The active substances ·OH and ·O2- produced by photocatalysis directly destroyed the integrity of bacteria cells, led to leakage of protein and DNA in the cells, and resulted in inactivation of the microorganisms, although Salmonella typhimurium and Listeria monocytogenes have different cell structures. These results would provide a good candidate photocatalyst to resist Salmonella typhimurium and Listeria monocytogenes and promote the development of photocatalysis applications.

6.
Chemistry ; : e202402780, 2024 Sep 10.
Artículo en Inglés | MEDLINE | ID: mdl-39256166

RESUMEN

It is urgent to develop an efficient and stable non-noble metal catalyst for selective C-H bond oxidation of cyclohexane. Herein, a series of V-W oxides supported on TiO2 catalysts (V-W/TiO2) were fabricated. The V-W/TiO2 catalysts exhibited much higher catalytic activity for the selective oxidation of cyclohexane to KA oil, compared to that of V/TiO2 and W/TiO2 catalysts. The good distribution of active metals and the synergistic effect were responsible for the enhanced catalytic activity. H2-TPR results disclosed that the presence of V in V-W/TiO2 affected the reducibility of W6+ species, and XPS verified that an electronic interaction was formed between them. Such results led to good catalytic reusability of V-W/TiO2 catalyst during the reactions, and no obvious activity loss was found after six runs. The reaction mechanism was investigated, and the results verified that hydroxyl radicals generated from H2O2 homolysis were the main active oxidative species. Theoretical study revealed that V dopant could regulate electronic structure of adjacent O atom, facilitating the adsorption of cyclohexane, and lower energy was needed for the rate-limiting step over V-W/TiO2 during the whole oxidation reaction. This work developed an efficient V-W/TiO2 catalyst for the selective oxidation of cyclohexane via a synergistic effect.

7.
Talanta ; 281: 126800, 2024 Sep 01.
Artículo en Inglés | MEDLINE | ID: mdl-39241644

RESUMEN

Dopamine (DA) is an important neurotransmitter. Abnormal levels of it in human body can increase the risk of many neurological diseases. Thus, developing a simple, sensitive detection method of DA is crucial. In this paper, we reported a "signal-off" anodic PEC sensor based on fluorine-doped tin oxide (FTO) glass modified ZnIn2S4/TiO2 heterojunction (ZnIn2S4/TiO2/FTO) for DA detection. The experimental results show that the ZnIn2S4/TiO2/FTO electrode prepared by two-step hydrothermal method has a good photocurrent response performance under visible light. After incubation with DA, the photocurrent response decreases significantly because DA can rapidly oxidizes to polydopamine (PDA) through the action of superoxide radical (·O2-) and hydroxyl radical (·OH) intermediate species, which are intermediates produced by the ZnIn2S4/TiO2/FTO electrode under visible light irradiation. The constructed PEC sensor has a good linear relationship in the concentration range from 0.5 to 1000.0 µM, and its detection limit is 0.253 µM. In addition, the results of the proposed PEC sensor in real serum samples are satisfactory. The PEC sensor provides a promising platform for DA detection, laying the foundation for future advances in disease diagnosis and prevention.

8.
Chemosphere ; : 143244, 2024 Sep 07.
Artículo en Inglés | MEDLINE | ID: mdl-39251160

RESUMEN

Dyestuff, one of the most hazardous compounds in terms of threats to people and the environment, is found in wastewater from industrial usage. The removal of Methylene Blue (MB) from a water-based medium has been studied by numerous researchers using a variety of adsorbents. To remove MB from aqueous solution, nano-TiO2/MWCNT/Chitosan hydrogel composite beads (n-TiO2/MWCNT/Cht) were developed in this study using a sol-gel method. This research discusses the characterisation of a new adsorbent substance using Infrared Spectroscopy (FT-IR) analysis and scanning electron microscopy (SEM). The optimal pH, adsorbent dosage, duration, and starting concentration were ascertained by analyzing the removal efficiencies of MB using the batch adsorption method. Adsorption behaviour at the equilibrium state has been investigated using a variety of adsorption isotherms, including Freundlich, Langmuir, and Dubinin-Radushkevich. The Langmuir adsorption isotherm has been useful to clarify adsorption behaviors. nTiO2-Cht/MWCNT had an adsorption capacity of 80.65 mg/g for MB. The pseudo-second-order kinetic model offered the best agreement to the experimental data for the adsorption of MB. Kinetic models of pseudo-first-order and pseudo-second-order were employed to explore the adsorption processes of MB on the n-TiO2/MWCNT/Cht. This study demonstrated the efficiency of n-TiO2/MWCNT/Cht for the removal of MB from a water-based solution.

9.
Mol Nutr Food Res ; : e2300792, 2024 Sep 10.
Artículo en Inglés | MEDLINE | ID: mdl-39254278

RESUMEN

SCOPE: Titanium dioxide nanoparticles (TiO2 NPs) are air pollutants that exacerbate chronic respiratory diseases such as asthma and Chronic Obstructive Pulmonary Disease (COPD) However, little is known about the mechanism underlying the antipollutant effects of green tea extract (GTE). This study evaluates the efficacy and mechanism of GTE on lung inflammation and fibrosis in mice exposed to TiO2 NPs. METHODS AND RESULTS: The TiO2 NPs model is induced by having mice inhale TiO2 NPs, while controls receive an equivalent volume of saline. Treatment with oral GTE is initiated after TiO2 NPs inhalation and is given once daily for 4 weeks. Airway resistance and pulmonary inflammation are increased in mice exposed to TiO2 NPs. GTE treatment reduces the airway inflammation and airway resistance, and attenuates the pathological changes including lung fibrosis compared to the mice exposed to TiO2 NPs. With GTE, there are no significant increases in cytokines and immunoglobulin E (IgE) in mice exposed to TiO2 NPs. GTE inhibits matrix metalloproteinases (MMPs) and apoptotic factors induced by TiO2 NPs exposure, and these protective effects of GTE are closely related to the mitogen-activated protein kinase (MAPK) signaling pathway. CONCLUSION: GTE modulates pulmonary inflammation in mice exposed to air pollutants, suggesting that GTE may be beneficial in respiratory diseases exacerbated by such pollutants.

10.
ChemSusChem ; : e202400572, 2024 Sep 10.
Artículo en Inglés | MEDLINE | ID: mdl-39254355

RESUMEN

Reducing CO2 emissions is one of the greatest challenges of the century. Among the means employed to tackle CO2 emissions, the photocatalytic conversion of CO2 is an appealing way to valorize CO2 since it uses the sun energy, which is abundant. However, nowadays, the best photocatalytic systems still report too low efficiencies, and use expensive materials, so they cannot be readily industrialized for use at large scale. In this report, we first highlight general industrial and process challenges (including operating conditions). Then, focusing on MoS2/TiO2 heterojunction systems, we analyze advantages and limitations of such systems and open perspectives on Mo oxysulfides supported on TiO2 discussing their potential to reach higher efficiency for CO2 photoconversion.

11.
Environ Sci Technol ; 2024 Sep 02.
Artículo en Inglés | MEDLINE | ID: mdl-39219475

RESUMEN

Regulating vanadia-based oxides has been widely utilized for fabricating effective difunctional catalysts for the simultaneous elimination of NOx and chlorobenzene (CB). However, the notorious accumulation of polychlorinated species and excessively strong NH3 adsorption on the catalysts lead to the deterioration of multipollutant control (MPC) activity. Herein, protonated sulfate (-HSO4) supported on vanadium-titanium catalysts via a preoccupied anchoring strategy are designed to prevent polychlorinated species and alleviate NH3 adsorption for the multipollutant control. The obtained catalysts with -HSO4 modification achieve an excellent NOx and CB conversion with turnover frequency values of ∼ 3.63 and 17.7 times higher than those of the pristine, respectively. The protonated sulfate promotes the formation of polymeric vanadyl with a higher chemical state and d-band center of V. The modulated catalysts not only substantially alleviate the competitive adsorption of multipollutant via the "V 3d-O 2p-S 3p" network, but also distinctly strengthen the Brønsted acid sites. Besides, the introduced proton donor of the -HSO4 connecting polymeric structure could markedly reduce the reaction barrier of breaking the C-Cl bond. This work paves an advanced way for low-loading vanadium SCR catalysts to achieve highly efficient NOx and CB oxidation at a low temperature.

12.
Small ; : e2406826, 2024 Sep 03.
Artículo en Inglés | MEDLINE | ID: mdl-39226545

RESUMEN

Surface protonic conduction in porous nanocrystalline oxides is commonly involved in catalytic processes. The configuration of surface adsorbed water on oxides plays a crucial role in surface protonic conduction. However, studies on the impact of complex surface adsorbed water configuration on the surface water concentration and diffusivity remain limited, and hinder an in-depth understanding of surface proton transport mechanisms, and the design of better surface proton conductors. Here, in situ Raman spectroscopy is utilized to quantitatively identify the contribution of dissociative and molecular adsorbed water components on porous nanocrystalline TiO2 surfaces between 25 and 200 °C. The variations in molecular and dissociative adsorbed water concentration agree with the predominant surface proton conduction mechanisms at three different temperature stages. From 40 to 125 °C, the reduced coverage of molecular adsorbed water layer results in the decreasing proton diffusivity. Water dissociation on the nanocrystalline TiO2 surface is easier in wet N2 than in wet O2, resulting in higher proton conductivity in wet N2; while the surface proton diffusivities in these two atmospheres are similar. The in situ spectroscopy technique enables the improvement of surface proton conducting oxides through quantitative evaluation and modulation of the surface proton concentration and diffusivity.

13.
Artículo en Inglés | MEDLINE | ID: mdl-39230475

RESUMEN

One-dimensional (1D) ordered TiO2 nanotubes exhibit exceptional charge transfer capabilities, making them suitable candidates for constructing visible-light-active photoanodes in selective PEC oxidation reactions. Herein, we employed a facile and easily scalable electrochemical method to fabricate Au-CoOx-deposited ordered TiO2 nanotubular array photoanodes. The improved visible light absorption capacity of TiO2-Au-CoOx, with unhampered 1D channels and the controlled integration of Au between TiO2 and CoOx, along with their synergistic interaction, have been identified as the most promising strategy for enhanced PEC performance, as evidenced by an IPCE of 3.7% at 450 nm. Furthermore, the robust interfacial charge transfer pathway from CoOx to the TiO2 surface via the Au mediator promotes the migration of photogenerated electrons and enables the accumulation of holes on the surface of CoOx. These holes are then efficiently utilized by oxidants such as methanol or lignin to generate value-added products, highlighting the potential of this system for advanced PEC applications.

14.
Artículo en Inglés | MEDLINE | ID: mdl-39230483

RESUMEN

Photocatalytic reforming of ethanol provides an effective way to produce hydrogen energy using natural and nontoxic ethanol as raw material. Developing highly efficient catalysts is central to this field. Although traditional semiconductor/metal heterostructures (e.g., Rh/TiO2) can result in relatively high catalyst performance by promoting the separation of photoinduced hot carriers, it will still be highly promising to further improve the catalytic performance via a cost-effective and convenient method. In this study, we developed a highly efficient photocatalyst for ethanol reformation by preparing a ternary composite structure of Rh/TiO2/g-C3N4. Hydrogen is the main product, and the reaction rate could reach up to 27.5 mmol g-1 h-1, which is ∼1.41-fold higher than that of Rh/TiO2. The catalytic performance here is highly dependent on the wavelength of the light illumination. Moreover, the photocatalytic reforming of ethanol and production of hydrogen were also dependent on the Rh loading and g-C3N4:TiO2 ratio in Rh/TiO2/g-C3N4 composites as well as the ethanol content in the reaction system. The mechanism of the enhanced hydrogen production in Rh/TiO2/g-C3N4 is determined as the improvement in the separation of photoinduced hot carriers. This work provides an effective photocatalyst for ethanol reforming, largely expanding its application in the field of renewable energy and interface science.

15.
Artículo en Inglés | MEDLINE | ID: mdl-39225930

RESUMEN

In this study, neodymium-doped titanium dioxide (Nd-TiO2) nanoparticles were synthesized via a hydrothermal method for the photocatalytic degradation of Rhodamine B (RhB) under UV and sunlight conditions. The properties of these NPs were comprehensively characterized. And optimization of RhB degradation was conducted using control-variable experiment and artificial neural networks (ANN) under various operational conditions and in the presence of competing compounds. The acute toxicity of both NPs, RhB, and the environmental impact of the photocatalytic treatment effluent on Danio rerio were evaluated. The Nd modification increased the catalyst's specific surface area and thermal stability. X-ray diffraction confirmed the tetragonal anatase phase in undoped TiO2, while Nd-doped TiO2 exhibited shifts in peaks and the presence of brookite and rutile phases. Nd (1 mol%) doped TiO2 demonstrated superior RhB photocatalytic degradation efficiency, achieving 95% degradation and 82% total organic carbon (TOC) removal within 60 min under UV irradiation. Optimization under sunlight conditions yielded 95.14% RhB removal with 0.28 g/L photocatalyst and 1% doping. Under UV light, 98.12% RhB removal was optimized with 0.97% doping, along with the presence of humic acid and CaCl2. ANN modeling achieved high precision (R2 of 0.99) in modeling environmental photocatalysis. Toxicity assessments indicated that the 96-h LC50 values were 681.59 mg L-1 for both NPs, and 23.02 mg L-1 for RhB. The treated dye solution exhibited a significant decline in toxicity, emphasizing the potential of 1% Nd-TiO2 in wastewater treatment.

16.
Food Chem ; 460(Pt 3): 140629, 2024 Dec 01.
Artículo en Inglés | MEDLINE | ID: mdl-39142198

RESUMEN

This work utilizes a handheld electrospinning device to prepare a novel nanofibrous composite membrane in situ for packaging freshness. It can realize pick-and-pack and is easy to operate. The nanofibrous membrane is based on PVB as the matrix material, adding Camellia oil (CO) and ZnO-TiO2 composite nanoparticles (ZT) as the active material. The antimicrobial property of the CO and the photocatalytic activity of the nanoparticles give the material good antimicrobial and ethylene degradation functions. Meanwhile, this nanofibrous membrane has good mechanical properties, suitable moisture permeability and good optical properties. The nanofibrous membrane are suitable for both climacteric and non- climacteric fruits. Its use as a cling film extends the shelf life of strawberries by 4 days and significantly slows the ripening of small tomatoes. Therefore, this nanofibrous membrane has great potential for application in the field of fruit preservation.


Asunto(s)
Antibacterianos , Etilenos , Embalaje de Alimentos , Conservación de Alimentos , Frutas , Nanofibras , Aceites de Plantas , Titanio , Óxido de Zinc , Titanio/química , Titanio/farmacología , Frutas/química , Conservación de Alimentos/instrumentación , Conservación de Alimentos/métodos , Etilenos/química , Etilenos/farmacología , Antibacterianos/farmacología , Antibacterianos/química , Embalaje de Alimentos/instrumentación , Aceites de Plantas/química , Aceites de Plantas/farmacología , Óxido de Zinc/química , Óxido de Zinc/farmacología , Nanofibras/química , Fragaria/química , Solanum lycopersicum/química
17.
ChemistryOpen ; : e202400128, 2024 Jul 31.
Artículo en Inglés | MEDLINE | ID: mdl-39086029

RESUMEN

This study presents the synthesis of TiO2-graphene nanocomposites with varying mass ratios of graphene (2.5, 5, 10, 20 wt. %) using a facile and cost-effective hydrothermal approach. By integrating TiO2 nanoparticles with graphene, a nanomaterial characterized by a two-dimensional structure, unique electrical conductivity and high specific surface area, the resulting hybrid material shows promise for application in supercapacitors. The nanocomposite specimens were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, Raman microscopy, field-emission scanning electron microscopy (FESEM), and transmission electron microscopy (TEM). Additionally, supercapacitive properties were investigated using a three-electrode setup by cyclic voltammetry (CV), galvanostatic charge-discharge (GCD) and electrochemical impedance spectroscopy (EIS) tests. Notably, the TiO2-20 wt. % rGO nanocomposite exhibited the highest specific capacitance of 624 F/g at 2 A/g, showcasing superior electrochemical performance. This specimen indicated a high rate capability and cyclic stability (93 % retention after 2000 cycles). Its remarkable energy density and power density of this sample designate it as a strong contender for practical supercapacitor applications.

18.
Front Toxicol ; 6: 1333746, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-39100893

RESUMEN

Titanium dioxide (TiO2), also known as E171, is commonly used as a white colorant in food, pharmaceuticals, cosmetics, and toothpaste. However, in May 2021, the European Food Safety Authority (EFSA) expert panel, in evaluating the safety of titanium dioxide (E171) as a food additive, concluded that a concern for genotoxicity could not be ruled out. This occurred several years after EFSA had previously considered titanium dioxide to be safe as a food additive. EFSA based this new interpretation on the results of genotoxicity tests of TiO2 nanomaterials. EFSA noted that available data are insufficient to define threshold doses/concentrations of TiO2 particles below which genotoxicity will not occur in tissues containing these particles. Here, it is argued that EFSA made a manifest error regarding the safety of titanium dioxide (E171) particles as a food additive for humans. First, the notion of particle size distribution of TiO2 particles is explained. Second, the changing opinions from the various EFSA evaluations in 2016, 2018, 2019 vs. 2021 are discussed. Third, the low toxicity of TiO2 particles is described in rats exposed by oral gavage and feeding studies in rats and mice. Fourth, the importance of low absorption rates from the gastrointestinal tract vs. circulation in rats and humans but not in mice is identified. Fifth, other international health scientists have weighed in on the EFSA (EFSA J, 2021, 19 (5), 6585) decision and generally disagreed with EFSA's opinion on the safety of E171 TiO2. A common theme voiced by the United Kingdom, Canada, Australia, and New Zealand agencies is that it is inappropriate to compare nanoparticle toxicity studies of dispersed/sonicated nanoparticles with the content of E171 TiO2 in foods because the test materials used in key studies considered by EFSA (EFSA J, 2021, 19 (5), 6585) are not representative of E171 TiO2 particles. Finally, a group of experts recently considered the genotoxicity of TiO2 and could not find support for a direct DNA damaging mechanism of TiO2 (nano and other forms). For these reasons, it is suggested that EFSA made a manifest error on the safety of E171 as a food additive.

19.
J Appl Crystallogr ; 57(Pt 4): 1171-1183, 2024 Aug 01.
Artículo en Inglés | MEDLINE | ID: mdl-39108814

RESUMEN

Structural modelling of operando pair distribution function (PDF) data of complex functional materials can be highly challenging. To aid the understanding of complex operando PDF data, this article demonstrates a toolbox for PDF analysis. The tools include denoising using principal component analysis together with the structureMining, similarityMapping and nmfMapping apps available through the online service 'PDF in the cloud' (PDFitc, https://pdfitc.org/). The toolbox is used for both ex situ and operando PDF data for 3 nm TiO2-bronze nanocrystals, which function as the active electrode material in a Li-ion battery. The tools enable structural modelling of the ex situ and operando PDF data, revealing two pristine TiO2 phases (bronze and anatase) and two lithiated Li x TiO2 phases (lithiated versions of bronze and anatase), and the phase evolution during galvanostatic cycling is characterized.

20.
Heliyon ; 10(14): e33562, 2024 Jul 30.
Artículo en Inglés | MEDLINE | ID: mdl-39108916

RESUMEN

Post-antibiotic era requires the use of alternative pesticides against bacterial infections. One potential application field is agriculture, where pesticides are routinely applied in combinations. In this study we tested the interference of antibacterial effects of two alternative antimicrobials with basically different mode of actions if applied together in vitro by using the Enterohemorrhagic E. coli strain Sakai as a modelorganism, one strain of a pathotype that is frequently associated with meat and plant derived infections. TiO2 is a photocatalytically active nanomaterial, which can generate reactive oxygen species (ROS), exerting destructive effects on macromolecules, while the vb_EcoS_bov25_1D bacteriophage has a specific lytic action. Both, bacteriophages and Sakai were sensitive against ROS if tested separately, during that PFUs of bacteriophages dropped from 5 × 105 to 0 in 4 h, while in case of Sakai CFUs decreased with 5 and 2 logs of magnitude in the presence of 0,05 % and 0,025 % of TiO2 respectively. In Sakai by the sixth minute of ROS exposition the expressions of superoxide dismutases and catalases were boosted, as revealed by whole transcriptomic analyses, but the elevated levels rclC and bshA support some roles of these genes under this stress situation. Combined application of phages and TiO2 under UV-A exposure have revealed that beside the inner enzymatic defence mechanisms presenting phage particles served as shields and spoiled the antimicrobial effect of TiO2 (0,0125 %). As a consequence, phages became sacrificed as during exposition a 3-log drop (5 × 105→5 × 102) in their PFUs was revealed. Survived bacteriophages however in the system remained active and under the subsequent dark phase the 3-log drop in the PFU was compensated in 24 h. Our results show that joint application of the two alternative antimicrobial agents TiO2 and a bacteriophage can have two consequences depending on the circumstances they were used. From one side they complement each other's effects in that TiO2 can exert its effect on UV-A or sunlight exposed areas, whereas the bacteriophage on non-exposed surfaces. On the other hand, they also can spoil each others effect as phages can bind generated ROS and by that protect target bacteria, but bacteria themselves can serve as shields and by that protect phages from the destroying effect of ROS, phages however can exert their antibacterial effects on bacteria.

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