Photoelectrochemical Ethylene Glycol Oxidization Coupled with Hydrogen Generation Using Metal Oxide Photoelectrodes.

Photoelectrochemical (PEC) water splitting represents a promising approach for harnessing solar energy and transforming it into storable hydrogen. However, the complicated 4-electron transfer process of water oxidation reaction imposes kinetic limitations on the overall efficiency. Herein, we proposed a strategy by substituting water oxidation with the oxidation of ethylene glycol (EG), which is a hydrolysis byproduct of polyethylene terephthalate (PET) plastic waste. To achieve this, we developed and synthesized BiVO4/NiCo-LDH photoanodes capable of achieving a high Faradaic efficiency (FE) exceeding 85% for the oxidation of EG to formate in a strongly alkaline environment. The reaction mechanism was further elucidated using in-situ FTIR spectroscopy. Additionally, we successfully constructed an unassisted PEC device for EG oxidation and hydrogen generation by pairing the translucent Mo:BiVO4/NiCo-LDH photoanode with a state-of-the-art Cu2O photocathode, resulting in an approximate photocurrent density of 2.3 mA/cm2. Our research not only offers a PEC pathway for converting PET plastics into valuable chemicals but also enables simultaneous hydrogen production.

Crystalline-Amorphous IrOx Supported on Perovskite Nanotubes for pH-Universal OER.

Designing catalysts with desirable oxygen evolution reaction (OER) performance under pH-universal conditions is of great significance to promote the development of hydrogen production. Herein, we successfully synthesized a crystalline-amorphous IrOx supported on perovskite oxide nanotubes to obtain IrOx@La0.6Ca0.4Fe0.8Ni0.2O3 with superior OER performance in whole pH media. The overpotential of the IrOx@La0.6Ca0.4Fe0.8Ni0.2O3 catalyst in media of pH 14, 7.2, and 1 has been demonstrated to be 120, 400, and 143 mV, respectively, with no significant element dissolution as well as double-layer capacitance decay after the durability test. Through comparative experiments with IrOx@CNT and the physical mixture of IrOx and La0.6Ca0.4Fe0.8Ni0.2O3, it is found that the strong metal-support interaction (SMSI) in IrOx@La0.6Ca0.4Fe0.8Ni0.2O3 makes IrOx exist in an amorphous state rich in Ir3+, which is closely associated with the surface-active species Ir-OH. Through the regulation of Ir by a perovskite oxide support at the heterointerface, the reaction breaks through the limitation of the adsorbate evolution mechanism (AEM) and converts to a lattice-oxygen-mediated mechanism (LOM), which was fully demonstrated by the addition of the probe tetramethylammonium cation (TMA+), a LOM reaction intermediate, to the electrolyte. This work fills the research gap of perovskite oxide supported Ir-based catalysts with heterogeneous structures, providing an excellent strategy for the structural design of efficient pH-universal OER catalysts for hydrogen production systems.

Dual-electrode signal amplification self-powered biosensing platform based on nanozyme boosting target-induced DNA nanospace array for ultrasensitive detection of sugarcane Pokkah Boeng disease pathogenic bacteria.

Sugarcane is a crop with significant economic importance worldwide. However, pokkah boeng disease poses a serious threat to its production and the sustainable development. There is a pressing necessity for precise and portable detection methods. We develop a dual-electrode signal amplification biosensing platform, for highly sensitive detection of sugarcane pokkah boeng disease pathogenic bacteria. This innovative platform integrates highly catalytic AuNPs/Mn3O4 nanozymes with N-GDY, along with a target-induced development of DNA nanostructure arrays. AuNPs/N-GDY serves as dual electrode substrates, and AuNPs/Mn3O4 nanozymes are surface-loaded as the bioanode. The biocathode is constructed by introducing DNA nanospace arrays onto the electrode through target-induced methods. [Ru(NH3)6]3+ is embedded into the nucleic acid double-helix scaffold via electrostatic adsorption, generating an EOCV signal that is strongly correlated with the target concentration. To further enhance sensitivity, the detection platform is combined with a capacitor to amplify the detection signal, utilizing its high power density, which results in a 22.5-fold increase in sensitivity. The method offers a linear detection range of 0.0001 to 10,000 pM and an detection limit of 32.5 aM (S/N = 3). This method supplies a novel approach for real-time monitoring and competent oversight of pokkah boeng disease pathogenic bacteria.

Advances in the Catalytic Conversion of Ethanol into Nonoxygenated Added-Value Chemicals.

Given that ethanol can be obtained from abundant biomass resources (e.g., crops, sugarcane, cellulose, and algae), waste, and CO2, its conversion into value-added chemicals holds promise for the sustainable production of high-demand chemical commodities. Nonoxygenated chemicals, including light olefins, 1,3-butadiene, aromatics, and gasoline, are some of the most important of these commodities, substantially contributing to modern lifestyles. Despite the industrial implementation of some ethanol-to-hydrocarbons processes, several fundamental questions and technological challenges remain unaddressed. In addition, the utilization of ethanol as an intermediate provides new opportunities for the direct valorization of CO and CO2. Herein, the recent advances in the design of ethanol conversion catalysts are summarized, providing mechanistic insights into the corresponding reactions and catalyst deactivation, and discussing the related future research directions, including the exploitation of active site proximity to achieve better synergistic effects for reactions involving ethanol.

Development of a Screening Platform for Optimizing Chemical Nanosensor Materials.

Chemical sensors, relying on changes in the electrical conductance of a gas-sensitive material due to the surrounding gas, typically react with multiple target gases and the resulting response is not specific for a certain analyte species. The purpose of this study was the development of a multi-sensor platform for systematic screening of gas-sensitive nanomaterials. We have developed a specific Si-based platform chip, which integrates a total of 16 sensor structures. Along with a newly developed measurement setup, this multi-sensor platform enables simultaneous performance characterization of up to 16 different sensor materials in parallel in an automated gas measurement setup. In this study, we chose the well-established ultrathin SnO2 films as base material. In order to screen the sensor performance towards type and areal density of nanoparticles on the SnO2 films, the films are functionalized by ESJET printing Au-, NiPt-, and Pd-nanoparticle solutions with five different concentrations. The functionalized sensors have been tested toward the target gases: carbon monoxide and a specific hydrogen carbon gas mixture of acetylene, ethane, ethne, and propene. The measurements have been performed in three different humidity conditions (25%, 50% and 75% r.h.). We have found that all investigated types of NPs (except Pd) increase the responses of the sensors towards CO and HCmix and reach a maximum for an NP type specific concentration.

Construction of Cu2Y2O5/g-C3N4 Novel Composite for the Sensitive and Selective Trace-Level Electrochemical Detection of Sulfamethazine in Food and Water Samples.

The most frequently used sulfonamide is sulfamethazine (SMZ) because it is often found in foods made from livestock, which is hazardous for individuals. Here, we have developed an easy, quick, selective, and sensitive analytical technique to efficiently detect SMZ. Recently, transition metal oxides have attracted many researchers for their excellent performance as a promising sensor for SMZ analysis because of their superior redox activity, electrocatalytic activity, electroactive sites, and electron transfer properties. Further, Cu-based oxides have a resilient electrical conductivity; however, to boost it to an extreme extent, a composite including two-dimensional (2D) graphitic carbon nitride (g-C3N4) nanosheets needs to be constructed and ready as a composite (denoted as g-C3N4/Cu2Y2O5). Moreover, several techniques, including X-ray diffraction analysis, scanning electron microscopy analysis, energy-dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy, and Raman spectroscopy were employed to analyze the composites. The electrochemical measurements have revealed that the constructed g-C3N4/Cu2Y2O5 composites exhibit great electrochemical activity. Nevertheless, the sensor achieved outstanding repeatability and reproducibility alongside a low limit of detection (LOD) of 0.23 µM, a long linear range of 2 to 276 µM, and an electrode sensitivity of 8.86 µA µM-1 cm-2. Finally, the proposed GCE/g-C3N4/Cu2Y2O5 electrode proved highly effective for detection of SMZ in food samples, with acceptable recoveries. The GCE/g-C3N4/Cu2Y2O5 electrode has been successfully applied to SMZ detection in food and water samples.

Interpretable Structural Evaluation of Metal-Oxide Nanostructures in Scanning Transmission Electron Microscopy (STEM) Images via Persistent Homology.

Persistent homology is a powerful tool for quantifying various structures, but it is equally crucial to maintain its interpretability. In this study, we extracted interpretable geometric features from the persistent diagrams (PDs) of scanning transmission electron microscopy (STEM) images of self-assembled Pt-CeO2 nanostructures synthesized under different annealing conditions. We focused on PD quadrants and extracted five interpretable features from the zeroth and first PDs of nanostructures ranging from maze-like to striped patterns. A combination of hierarchical clustering and inverse analysis of PDs reconstructed by principal component analysis through vectorization of the PDs highlighted the importance of the number of arc-like structures of the CeO2 phase in the first PDs, particularly those that were smaller than a characteristic size. This descriptor enabled us to quantify the degree of disorder, namely the density of bends, in nanostructures formed under different conditions. By using this descriptor along with the width of the CeO2 phase, we classified 12 Pt-CeO2 nanostructures in an interpretable way.

A Review of Gas Sensors for CO2 Based on Copper Oxides and Their Derivatives.

Buildings worldwide are becoming more thermally insulated, and air circulation is being reduced to a minimum. As a result, measuring indoor air quality is important to prevent harmful concentrations of various gases that can lead to safety risks and health problems. To measure such gases, it is necessary to produce low-cost and low-power-consuming sensors. Researchers have been focusing on semiconducting metal oxide (SMOx) gas sensors that can be combined with intelligent technologies such as smart homes, smart phones or smart watches to enable gas sensing anywhere and at any time. As a type of SMOx, p-type gas sensors are promising candidates and have attracted more interest in recent years due to their excellent electrical properties and stability. This review paper gives a short overview of the main development of sensors based on copper oxides and their composites, highlighting their potential for detecting CO2 and the factors influencing their performance.

Application of PLA/GO/ZnO and PLA/GO/Cu2O as sensor.

Polylactic acid modified with graphene oxide (PLA/GO) is proposed to interact with ZnO through 6 different schemes. Density functional theory at B3LYP/LANL2DZ level was utilized to calculate total dipole moment (TDM), HOMO/LUMO energy gap (ΔE) and to map the molecular electrostatic potential (MESP). Results indicated that PLA/GO interacted with ZnO through O-atom forming PLA/GO/OZn composite. This composite interacts with methane, hydrogen sulfide, humidity (H2O), carbon dioxide and ethanol. The same gases were supposed to interact further with PLA/GO/Cu2O. Adsorption energy for the interaction between each composite and the proposed gases were calculated. Both PLA/GO/OZn and PLA/GO/Cu2O composites interacted favorably with H2O. Adsorption energy for interaction of other gases with studied structures are generally low compared to H2O. PLA/GO/OZn have adsorption energy slightly higher than that of PLA/GO/Cu2O. PLA/GO/OZn has higher TDM values than those of PLA/GO/Cu2O, indicating a more polar material. Conversely, PLA/GO/Cu2O exhibited larger ΔE values than those of PLA/GO/OZn. TDM and energy gap results for both studied structures indicated good sensing capabilities. Further insights come from analyzing the calculated density of states (DOS) and partial density of states (PDOS). PLA/GO/Cu2O exhibited high peak for copper in its DOS and PDOS spectra compared to zinc and oxygen in case of PLA/GO/OZn. This means a higher density of available electronic states associated with Cu.

MMO-induced batch and pilot-scale electro-oxidation treatment of municipal wastewater.

The present research aimed to explore the durability of MMO electrodes through electro-oxidation (EO) in purifying secondary treated actual sewage wastewater using batch and pilot-scale setups. The main aim is to inactivate bacteria in sewage treatment plants before they are released into the environment, thus contaminating water and soil. Process parameters such as current density (j), NaCl dose (n), and treatment time (t) were optimized using response surface methodology in a lab-scale EO reactor under batch conditions. The results showed that optimization of current density at 5.90 mA/cm2 and NaCl concentration at 1.31 g/L led to 93.90% of bacterial inactivation (Q1) within 8 min of treatment and 0.48 kWh/m3 energy consumption (Q2). Biological analysis was conducted to validate bacterial cell destruction and count coliform bacteria in the EO-treated sewage wastewater. XRD, cyclic voltammetry studies, and FE-SEM/EDS analysis were done to confirm the MMO anode's durability and stability after 100 recycles. The study prioritized bacterial inactivation along with organic matter degradation. Besides that, a small pilot-scale study on the actual sewage wastewater with a volume of 10-50 L was done in batch mode under previously optimized conditions to analyze the efficacy of the MMO anodes in terms of bacterial inactivation.

Novel nanoconjugates of metal oxides and natural red pigment from the endophyte Monascus ruber using solid-state fermentation.

BACKGROUND: Antimicrobial resistance has emerged as a major global health threat, necessitating the urgent development of new antimicrobials through innovative methods to combat the rising prevalence of resistant microbes. With this view, we developed three novel nanoconjugates using microbial natural pigment for effective application against certain pathogenic microbes. RESULTS: A natural red pigment (RP) extracted from the endophyte Monascus ruber and gamma rays were applied to synthesize RP-ZnO, RP-CuO, and RP-MgO nanoconjugates. The synthesized nanoconjugates were characterized by different techniques to study their properties. The antimicrobial potential of these nanoconjugates was evaluated. Moreover, the antibiofilm, protein leakage, growth curve, and UV light irradiation effect of the synthesized nanoconjugates were also studied. Our results confirmed the nano-size, shape, and stability of the prepared conjugates. RP-ZnO, RP-CuO, and RP-MgO nanoconjugates showed broad antimicrobial potential against the tested bacterial and fungal pathogens. Furthermore, the RP-ZnO nanoconjugate possessed the highest activity, followed by the RP-CuO against the tested microbes. The highest % inhibition of biofilm formation by the RP-ZnO nanoconjugate. Membrane leakage of E. coli and S. aureus by RP-ZnO nanoconjugate was more effective than RP-MgO and RP-CuO nanoconjugates. Finally, UV light irradiation intensified the antibiotic action of the three nanoconjugates and RP-ZnO potential was greater than that of the RP-MgO, and RP-CuO nanoconjugates. CONCLUSION: These findings pave the way for exploiting the synthesized nanoconjugates as potential materials in biomedical applications, promoting natural, green, and eco-friendly approaches.

Effect of Cl2 Radical on Dry Development of Spin-Coated Metal Oxide Resist.

In this study, the effects of Cl2 radicals on dry development of spin-coated metal oxide resist (MOR) and changes in its surface binding states were investigated to verify the mechanism of dry development. Dry development characteristics of tin hydroxide (Tin OH), which is one of the MOR candidates for next generation lithography, were investigated as functions of process time and temperature using a Cl2 radicals source. Non-UV-exposed Tin OH film showed a linear etch rate (1.77 nm/min) from the initial thickness of ∼50 nm, while the UV-exposed film showed slower etch behavior (1.46 nm/min) in addition to the increase of film thickness for up to 3 min during the Cl2 radical dry development. UV-exposed photoresist (PR) contained more oxygen (Sn-O bonding) in the film due to the removal of butyl compounds from the clusters during the UV exposure process. Therefore, due to the lower reaction of chlorine radicals with Sn-O in the UV-exposed Tin OH than the other bindings, the non-UV-exposed PR was preferentially removed compared to the UV-exposed PR. As the temperature decreases, the overall etch rate decreases, but the difference in etch rate between exposed and unexposed Tin OH becomes larger. Finally, at a substrate temperature of -20 °C, the non-UV-exposed Tin OH with a thickness of 50 nm was completely removed, while ∼30 nm thick PR remained for UV-exposed Tin OH. Eventually, a negative tone development was possible with Cl2 radical plasma due to the difference in activation energy between the UV-exposed and non-UV-exposed films. It is believed that dry development using Cl2 radicals will be one of the most important process techniques for next-generation patterning to remove problems such as pattern leaning, line edge roughness, residue, etc., caused by wet development.

Difference in the toxic effects of micro and nano ZnO particles on L. minor - an integrative approach.

The toxicity of nano-sized ZnO particles (nZnO) was evaluated and compared to that of their micro-sized counterparts (mZnO) using an integrative approach to investigate the mechanism of toxicity, utilizing duckweed (Lemna minor) as plant model. Following 7 days of exposure to nZnO or mZnO (2.5, 5, 25, and 50 mg L-1) growth rate, photosynthesis, oxidative stress, and genotoxicity parameters have been determined in duckweed. Phytotoxicity of both ZnO forms at relatively low concentrations was due to the release of free Zn ions into the nutrient media. However, the accumulation of Zn in plants treated with nZnO was significantly higher than in those treated with mZnO. Both mZnO and nZnO significantly reduced growth rate and impaired the functionality of the photosynthetic apparatus as evidenced by structural changes of chloroplasts, a decline in the efficiency of photosystem II, and chlorophyll a content. Additionally, exposure to mZnO and nZnO resulted in the accumulation of reactive oxygen species (ROS), increased lipid peroxidation, the formation of carbonylated proteins, DNA damage, and alterations in antioxidant defense mechanisms. Overall, nZnO caused significantly stronger toxic effects than mZnO. The mechanism of nZnO toxicity to L. minor, as determined by multivariate statistical analysis, involved the disruption of primary photosynthetic reactions due to a redox imbalance in the cell caused by the enhanced absorption of Zn into plant tissues.

Performance of a Novel Electronic Nose for the Detection of Volatile Organic Compounds Relating to Starvation or Human Decomposition Post-Mass Disaster.

There has been a recent increase in the frequency of mass disaster events. Following these events, the rapid location of victims is paramount. Currently, the most reliable search method is scent detection dogs, which use their sense of smell to locate victims accurately and efficiently. Despite their efficacy, they have limited working times, can give false positive responses, and involve high costs. Therefore, alternative methods for detecting volatile compounds are needed, such as using electronic noses (e-noses). An e-nose named the 'NOS.E' was developed and has been used successfully to detect VOCs released from human remains in an open-air environment. However, the system's full capabilities are currently unknown, and therefore, this work aimed to evaluate the NOS.E to determine the efficacy of detection and expected sensor response. This was achieved using analytical standards representative of known human ante-mortem and decomposition VOCs. Standards were air diluted in Tedlar gas sampling bags and sampled using the NOS.E. This study concluded that the e-nose could detect and differentiate a range of VOCs prevalent in ante-mortem and decomposition VOC profiles, with an average LOD of 7.9 ppm, across a range of different chemical classes. The NOS.E was then utilized in a simulated mass disaster scenario using donated human cadavers, where the system showed a significant difference between the known human donor and control samples from day 3 post-mortem. Overall, the NOS.E was advantageous: the system had low detection limits while offering portability, shorter sampling times, and lower costs than dogs and benchtop analytical instruments.

SnO2@PdAg Core-Shell Nanoarchitecture Promotes Active and Stable Alcohol Electrooxidations.

Developing efficient Pd-based electrocatalysts is of vital importance for the application of direct alcohol fuel cells. Designing the core-shell architecture of Pd-based nanomaterials rationally has emerged as an effective strategy to promote the sluggish kinetics of anodic reactions. Herein, the PdAg alloy is reduced on a non-noble metal oxide surface for the formation of a core-shell nanostructure. The optimized SnO2@PdAgh nanospheres deliver the optimal catalytic performance compared with other counterparts and commercial Pd/C. The structural investigation reveals that the introduction of Ag and formation of a PdAg/SnO2 heterointerface effectively regulate the electronic structure of Pd, making SnO2@PdAgh a highly active catalyst for methanol and ethylene glycol oxidation reactions. Impressively, the strong interaction between the PdAg shell and SnO2 core stabilizes the metal-oxide heterointerface, contributing to the improved stability of SnO2@PdAgh in electrocatalytic reactions. This study proposes the use of non-noble metal oxides as the core to suppress the dissolution of the catalysts and highlights the rational design of core@shell nanoarchitectures.

Achieving metal-like catalysis from semiconductor for on-surface synthesis.

Free of posttransfer, on-surface synthesis (OSS) of single-atomic-layer nanostructures directly on semiconductors holds considerable potential for next-generation devices. However, due to the high diffusion barrier and abundant defects on semiconductor surfaces, extended and well-defined OSS on semiconductors has major difficulty. Furthermore, given semiconductors' limited thermal catalytic activity, initiating high-barrier reactions remains a significant challenge. Herein, using TiO2(011) as a prototype, we present an effective strategy for steering the molecule adsorption and reaction processes on semiconductors, delivering lengthy graphene nanoribbons with extendable widths. By introducing interstitial titanium (Tiint) and oxygen vacancies (Ov), we convert TiO2(011) from a passive supporting template into a metal-like catalytic platform. This regulation shifts electron density and surface dipoles, resulting in tunable catalytic activity together with varied molecule adsorption and diffusion. Cyclodehydrogenation, which is inefficient on pristine TiO2(011), is markedly improved on Tiint/Ov-doped TiO2. Even interribbon cyclodehydrogenation is achieved. The final product's dimensions, quality, and coverage are all controllable. Tiint doping outperforms Ov in producing regular and prolonged products, whereas excessive Tiint compromises molecule landing and coupling. This work demonstrates the crucial role of semiconductor substrates in OSS and advances OSS on semiconductors from an empirical trial-and-error methodology to a systematic and controllable paradigm.

Electroplating sludge derived CuFe2O4/MgFe2O4 metal oxide composites for highly efficient removal of Congo red.

The utilization of electroplating sludge (ES) to derive metal oxide functional materials is a key strategy, as it enables the recycling of valuable elements, mitigates environmental risks, and aligns with green, low-carbon development strategies. Nevertheless, the development of metal oxide composite functional materials with distinctive structures and properties derived from ES continues to present several challenges. Herein, we synthesized CuFe2O4/MgFe2O4 metal oxide composites from ES by one-step hydrothermal method. As-obtained CuFe2O4/MgFe2O4 metal oxide composites (MMOs) have a unique layered structure, richer mesoporous and microporous structures, activity sites. When evaluated as an adsorbent for Congo red (CR), as-synthesized CuFe2O4/MgFe2O4 with layered structure composite exhibited excellent adsorption capacity (1039.1 mg/g) and reusability (85.55% after five cycles), which was superior to most similar adsorbents reported till date. Such improvement is explored to mainly originate from two respects: the physical adsorption facilitated by the abundant pores formed through the stacking and growth of CuFe2O4 and MgFe2O4, and the chemisorption resulting from surface complexation and hydrogen bonding between the MMOs and CR. This strategy to directly transform ES into functional materials shows great promise both in waste management and preparation of robust adsorbents for wastewater treatment.

A Customized Strategy Realizes Stable Cycle of Large-Capacity and High-Voltage Layered Cathode for Sodium-Ion Batteries.

High-voltage P2-Na0.67Ni0.33Mn0.67O2 layered oxide cathode exhibits significant potential for sodium-ion batteries, owing to the elevated operating voltage and theoretical energy density beyond lithium iron phosphate, but the large-volume phase transition is the devil. Currently, this type cathode still suffers from stability-capacity trade-off dilemma. Herein, a concept of customized strategy via multiple rock-forming elements trace doping is presented to address the mentioned issue. The customized Mg-Al-Ti trace doped cathode maintains a notable capacity of 140.3 mAh g - 1 with an energy density approaching 500 Wh kg - 1, and shows good cycle stability, retaining 89.0% of its capacity after 50 cycles at 0.1C. Additionally, the full cell, paired with a hard carbon anode, achieves an advanced energy density of 303.3 Wh kg-1. The multiple characterizations reveal the failure mechanism of contrast sample involving severe intragranular cracks coupled with layer to rock salt transformation, which reduces active substance and increases charge transfer resistance. The doped sample with increased sliding energy barrier well suppresses this phenomenon. Impressively, the customized strategy can be extended to Mg-Fe-Ti system. This research provides a novel concept for the design of high energy sodium-ion cathode.

Near-infrared in vivo imaging system for dynamic visualization of lung-colonizing bacteria in mouse pneumonia.

In vivo imaging of bacterial infection models enables noninvasive and temporal analysis of individuals, enhancing our understanding of infectious disease pathogenesis. Conventional in vivo imaging methods for bacterial infection models involve the insertion of the bacterial luciferase LuxCDABE into the bacterial genome, followed by imaging using an expensive ultrasensitive charge-coupled device (CCD) camera. However, issues such as limited light penetration into the body and lack of versatility have been encountered. We focused on near-infrared (NIR) light, which penetrates the body effectively, and attempted to establish an in vivo imaging method to evaluate the number of lung-colonizing bacteria during the course of bacterial pneumonia. This was achieved by employing a novel versatile system that combines plasmid-expressing firefly luciferase bacteria, NIR substrate, and an inexpensive, scientific complementary metal-oxide semiconductor (sCMOS) camera. The D-luciferin derivative "TokeOni," capable of emitting NIR bioluminescence, was utilized in a mouse lung infection model of Acinetobacter baumannii, an opportunistic pathogen that causes pneumonia and is a concern due to drug resistance. TokeOni exhibited the highest sensitivity in detecting bacteria colonizing the mouse lungs compared with other detection systems such as LuxCDABE, enabling the monitoring of changes in bacterial numbers over time and the assessment of antimicrobial agent efficacy. Additionally, it was effective in detecting A. baumannii clinical isolates and Klebsiella pneumoniae. The results of this study are expected to be used in the analysis of animal models of infectious diseases for assessing the efficacy of therapeutic agents and understanding disease pathogenesis. IMPORTANCE: Conventional animal models of infectious diseases have traditionally relied upon average assessments involving numerous individuals, meaning they do not directly reflect changes in the pathology of an individual. Moreover, in recent years, ethical concerns have resulted in the demand to reduce the number of animals used in such models. Although in vivo imaging offers an effective approach for longitudinally evaluating the pathogenesis of infectious diseases in individual animals, a standardized method has not yet been established. To our knowledge, this study is the first to develop a highly versatile in vivo pulmonary bacterial quantification system utilizing near-infrared luminescence, plasmid-mediated expression of firefly luciferase in bacteria, and a scientific complementary metal-oxide semiconductor camera. Our research holds promise as a useful tool for assessing the efficacy of therapeutic drugs and pathogenesis of infectious diseases.

Introducing third-generation periodic table descriptors for nano-qRASTR modeling of zebrafish toxicity of metal oxide nanoparticles.

Metal oxide nanoparticles (MONPs) are widely used in medicine and environmental remediation because of their unique properties. However, their size, surface area, and reactivity can cause toxicity, potentially leading to oxidative stress, inflammation, and cellular or DNA damage. In this study, a nano-quantitative structure-toxicity relationship (nano-QSTR) model was initially developed to assess zebrafish toxicity for 24 MONPs. Previously established 23 first- and second-generation periodic table descriptors, along with five newly proposed third-generation descriptors derived from the periodic table, were employed. Subsequently, to enhance the quality and predictive capability of the nano-QSTR model, a nano-quantitative read across structure-toxicity relationship (nano-qRASTR) model was created. This model integrated read-across descriptors with modeled descriptors from the nano-QSTR approach. The nano-qRASTR model, featuring three attributes, outperformed the previously reported simple QSTR model, despite having one less MONP. This study highlights the effective utilization of the nano-qRASTR algorithm in situations with limited data for modeling, demonstrating superior goodness-of-fit, robustness, and predictability (R 2 = 0.81, Q 2 LOO = 0.70, Q 2 F1/R 2 PRED = 0.76) compared to simple QSTR models. Finally, the developed nano-qRASTR model was applied to predict toxicity data for an external dataset comprising 35 MONPs, addressing gaps in zebrafish toxicity assessment.