Electron Transport Research Articles

Template-synthesized CdWO4/Cd0.5Zn0.5S hollow microsphere photocatalyst for high-efficient hydrogen evolution under visible light

Photocatalytic water splitting for hydrogen production is a promising strategy for renewable energy. While Cd1-XZnXS catalysts display high photocatalytic hydrogen evolution efficiency in pure water, they are limited by severe photocorrosion and rapid recombination of electron–hole pairs. In this study, HGM (hollow glass microspheres) was used as the support template, Cd0.5Zn0.5S and CdWO4 were successively coated on the template by hydrothermal method. The tightly packed heterojunction interface between the coatings ensures efficient electron transport and suppresses the recombination of electron-hole pairs. Under visible light irradiation, when the theoretical mass ratio of Cd0.5Zn0.5S to CdWO4 is 4:1, the Cd0.5Zn0.5S/CdWO4-25% hollow microsphere photocatalyst exhibits the highest hydrogen evolution rate, reaching 41.40 mmol g−1 h−1, which is approximately 3.4 times higher than the hydrogen evolution rate of pure Cd0.5Zn0.5S (12.31 mmol g−1 h−1). This research provides a novel approach for the design and synthesis of efficient and stable photocatalysts.

Influence of crystal dimension on performance of spherical crystal self-emission imager

Abstract The spherical crystal imaging system, noted for its high energy spectral resolution (monochromaticity) and spatial resolution, is extensively applied in high energy density physics and inertial confinement fusion research. This system supports studies on fast electron transport, hydrodynamic instabilities, and implosion dynamics. The X-ray source, produced through laser-plasma interaction, emits a limited number of photons within short time scales, resulting in predominantly photon-starved images. Through ray-tracing simulations, we investigated the impact of varying crystal dimensions on the performance of a spherical crystal self-emission imager. We observed that increasing the crystal dimension leads to higher imaging efficiency but at the expense of monochromaticity, causing broader spectral acceptance and reduced spatial resolution. Furthermore, we presented a theoretical model to estimate the spatial resolution of the imaging system within a specific energy spectrum range, detailing the expressions for the effective size of the crystal. The spatial resolution derived from the model closely matches the numerical simulations.

Toxicodynamics of cadmium in the green mussel Perna viridis (Linnaeus, 1758) using bioenergetic and physiological biomarkers.

This study evaluated the toxicity of cadmium (Cd) on the green mussel Perna viridis, aiming to identify toxicological endpoints and investigate its responses across physiological, bioenergetic, and biochemical parameters. The 96-hour LC50 value for Cd in P. viridis was 3.03 ± 0.12 mg L-1, with a 95% confidence interval of 2.35-3.91 mg L-1. Chronic toxicity tests revealed a No Observable Effect Concentration (NOEC), Lowest Observable Effect Concentration (LOEC), and chronic toxicity values of 0.20, 0.37, and 0.29 mg L-1, respectively. Cadmium accumulation in treated mussels increased 46- to 215-fold compared to the control group. Superoxide dismutase, catalase, glutathione S-transferase, and glutathione peroxidase levels in exposed mussels exhibited a significant increase compared to the control group. The redox index ratio, acetylcholinesterase activity, and lysosomal membrane stability decreased with increasing exposure concentrations. Levels of reduced and oxidized glutathione, glutathione reductase, lipid peroxidation, and metallothionein-like proteins increased in exposed mussels. Clearance rate, respiration rate, and excretion rate decreased in a dose-dependent manner. Protein, carbohydrate, and lipid levels decreased with increasing exposure concentration (p < 0.001). Mitochondrial electron transport system activity increased, while cellular energy allocation (p < 0.001) and scope for growth decreased in a dose-dependent manner (p < 0.01). The significant increase in antioxidants suggests heightened oxidative stress in mussels under Cd exposure. The physiological activities of the mussels were severely affected, ultimately leading to a reduced scope for growth. The toxicological data generated in this study contribute to the development of seawater quality criteria for the metal Cd.

Charge Transfer Plasmons Enabled by Supramolecular Plug: From Optoelectronic Switching to Enhanced Chiral Sensing.

Miniaturization and integration of plasmonic nanodevices are fundamentally limited by quantum tunneling, which leads to quantum plasmonics with reduced local E-field intensity. Despite significant efforts devoted to modeling and deterring the detrimental effect of quantum plasmonics, the modulation and application of electron transport through the subnanometer gaps seems rarely exploited due to the limited tunability of conventional quantum materials. Here, we establish a supramolecular plasmonic system made of pillar[5]arene complexes and plasmonic resonators (nanoparticle-on-mirror, NPoM). The supramolecular assemblies significantly enhance the gap conductance of NPoM, which results in a blue-shift of the coupled plasmons. Plasmonic hot-electron transport with laser excitation further modulates the gap plasmons, which are fully reversible and beneficial for enhanced chiroptic sensing. Such a conductive supramolecular plasmonic system not only suggests an optoelectronic switching strategy for charge transfer plasmons but also provides a superior sensing platform for single molecules.

Designing C9N10 Anchored Single Mo Atom as an Efficient Electrocatalyst for Nitrogen Fixation

Electrochemical nitrogen reduction reaction (NRR) is a promising route for realizing green and sustainable ammonia synthesis under ambient conditions. However, one of the major challenges of currently available Single-atom catalysts (SACs) is poor catalytic activity and low catalytic selectivity, which is far away from the requirements of industrial applications. Herein, first-principle calculations within the density functional theory were performed to evaluate the feasibility of a single Mo atom anchored on a g-C9N10 monolayer (Mo@g-C9N10) as NRR electrocatalysts. The results demonstrated that the gas phase N2 molecule can be sufficiently activated on Mo@g-C9N10, and N2 reduction dominantly occurs on the active Mo atom via the preferred enzymatic mechanism, with a low limiting potential of −0.48 V. In addition, Mo@g-C9N10 possesses a good prohibition ability for the competitive hydrogen evolution reaction. More impressively, good electronic conductivity and high electron transport efficiency endow Mo SACs with excellent activity for electrocatalytic N2 reduction. This theoretical research not only accelerates the development of NRR electrocatalysts but also increases our insights into optimizing the catalytic performance of SACs.

Electronic, optical, and thermoelectric behaviour of KCuX (X = S, Se, Te) monolayers.

In the past few decades, two-dimensional (2-D) materials gained huge deliberation due to their outstanding electronic and heat transport properties. These materials have effective applications in many areas such as photodetectors, battery electrodes, thermoelectrics, etc. In this work, we have calculated structural, electronic, optical, and thermoelectric properties of KCuX (X = S, Se, Te) monolayers (MLs) with the help of first-principles-based calculations and semi-classical Boltz- mann transport equation (BTE). The phonon dispersion calculations demonstrate the dynamical stability of the KCuX (X = S, Se, Te) MLs. Our results show that the monolayers of KCuX (X = S, Se, Te) are semiconductors with band gaps of 0.193 eV, 0.26 eV, and 1.001 eV respectively, and therefore they are suitable for photovoltaic applications. The optical analysis illustrates that the maximum absorption peaks of the KCuX (X = S, Se, Te) MLs are located in visible and ultraviolet (UV) regions, which may serve as a promising candidate for designing advanced optoelectronic devices. Furthermore, thermoelectric properties of the KCuS and KCuSe MLs, including See- beck coefficient, electrical conductivity, electronic thermal conductivity, power factor, and figure of merit, are calculated at different temperatures 300 K, 600 K, and 800 K. Additionally, we also focus on the analysis of Gru ̈neisen parameter and various scattering rates to further explain their ultra-low thermal conductivity. Our results show that KCuS and KCuSe possess ultra-low lattice thermal conductivity value of 0.15 Wm-1K-1 and 0.06 Wm-1K-1 respectively, which is lower than those of recently reported KAgSe (0.26 Wm-1K-1 at 300 K) and TlCuSe (0.44 Wm-1K-1 at 300 K), indicating towards the large value of ZT. These materials are found to possess desirable thermoelectric and optical properties, making them suitable candidates for efficient thermoelectric and optoelectronic device applications.

Dobinin K Displays Antiplasmodial Activity through Disruption of Plasmodium falciparum Mitochondria and Generation of Reactive Oxygen Species

Dobinin K is a novel eudesmane sesquiterpenoids compound isolated from the root of Dobinea delavayi and displays potential antiplasmodial activity in vivo. Here, we evaluate the antiplasmodial activity of dobinin K in vitro and study its acting mechanism. The antiplasmodial activity of dobinin K in vitro was evaluated by concentration-, time-dependent, and stage-specific parasite inhibition assay. The potential target of dobinin K on Plasmodium falciparum was predicted by transcriptome analysis. Apoptosis of P. falciparum was detected by Giemsa, Hoechst 33258, and TUNEL staining assay. The reactive oxygen species (ROS) level, oxygen consumption, and mitochondrial membrane potential of P. falciparum were assessed by DCFH-DA, R01, and JC-1 fluorescent dye, respectively. The effect of dobinin K on the mitochondrial electron transport chain (ETC) was investigated by enzyme activity analysis and the binding abilities of dobinin K with different enzymes were learned by molecular docking. Dobinin K inhibited the growth of P. falciparum in a concentration-, time-dependent, and stage-specific manner. The predicted mechanism of dobinin K was related to the redox system of P. falciparum. Dobinin K increased intracellular ROS levels of P. falciparum and induced their apoptosis. After dobinin K treatment, P. falciparum mitochondria lost their function, which was presented as decreased oxygen consumption and depolarization of the membrane potential. Among five dehydrogenases in P. falciparum ETC, dobinin K displayed the best inhibitory power on NDH2 activity. Our findings indicate that the antiplasmodial effect of dobinin K in vitro is mediated by the enhancement of the ROS level in P. falciparum and the disruption of its mitochondrial function.

Electrochemically Gated Frustrated Lewis Pair Chemistry in Electric Double Layer.

The recent discovery of frustrated Lewis pairs (FLPs) during the activation of small molecules has inspired extensive research across the full span of chemical science. Owing to the nature of weak interactions, it is experimentally challenging to directly observe and modulate FLP at the molecular scale. Here we design a boron cluster anion building block (B10H82-) and organic amine cations ([NR4]+, R= -CH3, -C2H5) as the FLP to prove the feasibility of controlling their interaction in the electric double layer (EDL) via an electrochemical strategy. In situ single-molecule electrical measurements and Raman monitoring of B10H82--[NR4]+ FLP formed at the positively charged Au(111) electrode surface, in contrast to the free-standing B10H82- near or below the potential of zero charge (PZC). Furthermore, this FLP chemistry leads to a shift in the local density of states of boron clusters towards the EF for enhancing electron transport, providing a new prototype of a reversible single-cluster switch that digitally switches upon controlling FLP chemistry in the electric double layer.

Green synthesis of novel Z-scheme SnS2/HAp nanocomposite using Ocimum tenuiflorum leaf extract and investigation of its photocatalytic activity.

The present study focuses on the green synthesis of a novel Z-scheme SnS₂/HAp photocatalyst using Ocimum tenuiflorum (tulsi) leaf extract as a stabilizing agent. This approach not only emphasizes sustainability but also adds value to waste by extracting hydroxyapatite (HAp) from Labeo rohita fish scales, addressing the challenge of their disposal. The synthesized photocatalyst was thoroughly characterized using a range of analytical techniques to evaluate its crystal structure, optical properties, morphology, and elemental composition. The photocatalytic activity of the SnS₂/HAp composite was assessed through the degradation of gentian violet (GV) dye, a representative organic pollutant. Various reaction parameters were optimized to enhance the degradation efficiency, and the photocatalyst's performance was further tested across different water matrices. Under optimal conditions, the SnS₂/HAp photocatalyst achieved a maximum photodegradation efficiency of 97.49% with a rate constant of 0.0494min- 1 for GV dye. Additionally, it exhibited an efficiency greater than 70% against other emerging pollutants via advanced oxidation processes (AOP). The enhanced photocatalytic activity was attributed to the formation of a Z-Scheme heterojunction between SnS2 and HAp, which enhanced the charge separation efficiency and delayed the charge recombination. The study also demonstrated the photocatalyst's remarkable reusability, maintaining high performance over five cycles and across various water environments. This highlights its potential as a sustainable solution for the removal of organic pollutants from aqueous streams. Finally, a Z-scheme electron transport mechanism is proposed to explain the photodegradation process of GV dye using the SnS₂/HAp photocatalyst.

Selective area epitaxy of in-plane HgTe nanostructures on CdTe(001) substrate

Semiconductor nanowires (NWs) are believed to play a crucial role for future applications in electronics, spintronics and quantum technologies. A potential candidate is HgTe but its sensitivity to nanofabrication processes restrain its development. A way to circumvent this obstacle is the selective area growth technique. Here, in-plane HgTe nanostructures are grown thanks to selective area molecular beam epitaxy on a semi-insulating CdTe substrate covered with a patterned SiO2mask. The shape of these nanostructures is defined by the in-plane orientation of the mask aperture along the <110>, <11¯0>, or <100> direction, the deposited thickness, and the growth temperature (GT). Several micron long in-plane NWs can be achieved as well as more complex nanostructures such as networks, diamond structures or rings. A good selectivity is achieved with very little parasitic growth on the mask even for a GT as low as 140 °C and growth rate up to 0.5 monolayer per second. For <110> oriented NWs, the center of the nanostructure exhibits a trapezoidal shape with {111}B facets and two grains on the sides, while <11¯0> oriented NWs show {111}A facets with adatoms accumulation on the sides of the top surface. Transmission electron microscopy observations reveal a continuous epitaxial relation between the CdTe substrate and the HgTe NW. Measurements of the resistance with four-point scanning tunneling microscopy indicates a good electrical homogeneity along the main NW axis and a thermally activated transport. This growth method paves the way toward the fabrication of complex HgTe-based nanostructures for electronic transport measurements.

Electrochemically Gated Frustrated Lewis Pair Chemistry in Electric Double Layer

The recent discovery of frustrated Lewis pairs (FLPs) during the activation of small molecules has inspired extensive research across the full span of chemical science. Owing to the nature of weak interactions, it is experimentally challenging to directly observe and modulate FLP at the molecular scale. Here we design a boron cluster anion building block (B10H82‐) and organic amine cations ([NR4]+, R= ‐CH3, ‐C2H5) as the FLP to prove the feasibility of controlling their interaction in the electric double layer (EDL) via an electrochemical strategy. In situ single‐molecule electrical measurements and Raman monitoring of B10H82‐–[NR4]+ FLP formed at the positively charged Au(111) electrode surface, in contrast to the free‐standing B10H82‐ near or below the potential of zero charge (PZC). Furthermore, this FLP chemistry leads to a shift in the local density of states of boron clusters towards the EF for enhancing electron transport, providing a new prototype of a reversible single‐cluster switch that digitally switches upon controlling FLP chemistry in the electric double layer.

E!Canasta: A card game to teach ATP synthesis and metabolic regulation in biochemistry classes.

Understanding ATP formation is essential for learning metabolism and is central to grasping metabolic processes as a whole. However, due to the high level of abstraction, the number of intermediate substrates, the connections, and integrated regulation, its comprehension often poses a challenge. This and the fact that traditional teaching methods struggle when dealing with highly abstract concepts, game-based strategies present a more concrete and dynamic alternative, which led to the creation of E!Canasta (card game). Developed based on Canasta and adapted in order to improve the learning of concepts, including some of pathway's regulation and integration, E!Canasta motivates students and promotes engagement in a fun activity. Students assemble a sequence of cards representing the glycolysis, acetyl-CoA, Krebs cycle, and electron transport chain, which correspond to the card suits. Strategically, some of the cards hold special feats that simulate some aspects of metabolic regulation and integration (to give or take away points). At the end of the game, points are added up for sequences and cards with positive or negative effects. The game was played with two classes of students enrolled in biochemistry as part of their graduations (86 players). Student perception on gameplay, motivation and understanding was measured through an anonymous Likert scale questionnaire, with very positive results in all questions. Statistically significant correlations were observed regarding the perceived comprehension of pathways and their regulation, and in linking motivation with a positive gaming experience, showcasing that E!Canasta demonstrates considerable educational potential, along with an enjoyable experience for learning ATP synthesis.

Interfacial Modification of ZnO/ZnMgO Bilayer for Efficient and Stable InP Quantum Dot Light-Emitting Diodes via Ultraviolet Ozone Treatment.

The development of efficient charge transport layers is crucial for realizing high-performance and stable quantum dot light-emitting diodes (QD-LEDs). The use of a ZnO/ZnMgO bilayer as an electron transporting layer (ETL) has garnered considerable attention. This configuration leverages the high electron mobility of ZnO and the favorable surface state of ZnMgO. Furthermore, the versatility of this configuration extends to its wide range of thickness tunability, rendering it suitable for the construction of thick devices for top-emitting structures with microcavities. However, despite the promising attributes of this bilayer configuration, the impact of the ZnO/ZnMgO bilayer ETL interface on QD-LEDs performance remains largely unexplored. Thus, this study investigated the effect of ultraviolet ozone (UVO) treatment on the stabilization of the ZnO/ZnMgO interface. UVO treatment was found to significantly enhance luminance uniformity across the QD-LEDs emission area while improving operational stability by over 4-fold. Comprehensive analyses employing X-ray photoelectron spectroscopy and Fourier-transform infrared spectroscopy confirmed that UVO treatment significantly reduced the defect states of the hydroxyl groups and removed the insulating native ethanolamine ligands, thereby facilitating improved and uniform electron transport. Moreover, the effectiveness of UVO treatment in enhancing electron transport was supported by impedance analyses. Therefore, this paper presents an effective approach for enhancing the interface of a highly potent ZnO/ZnMgO bilayer ETL, which can ultimately improve the luminance uniformity and stability of QD-LEDs.

Simulating graphene-based single-electron transistor: incoherent current effects due to the presence of electron-electron interaction.

Carbon-based nanostructures have unparalleled electronic properties. At the same time, using an allotrope of carbon as the contacts can yield better device control and reproducibility. &#xD;In this work, we simulate a single-electron transistor composed of a segment of a graphene nanoribbon coupled to carbon nanotubes electrodes. Using the non-equilibrium Green's function formalism we atomistically describe the electronic transport properties of the system including electron-electron interactions. Using this methodology we are able to recover experimentally observed phenomena, such as the Coulomb blockade, as well as the corresponding Coulomb diamonds. Furthermore, we are able to separate the different contributions to transport and show that incoherent effects due to the interaction play a crucial role in the transport properties depending on the region of the stability diagram being considered.

Synaptic Feature of Quantum Dot Light-Emitting Diodes for Visualization of Learning Process.

Brain-inspired electronics with synaptic functions hold significant promise for advancing artificial intelligent applications. In this study, we demonstrate the synaptic feature of quantum-dot light-emitting diodes (QLEDs), which can convert electrical pulses into synapse-like light signals (the brightness gradually increases as the electrical pulses are prolonged). These features are analogous to learning and forgetting in biological synapses. The enhancement of brightness can be attributed to the reduction of charge transfer from the quantum dots to ZnO electron transport layer and resistive switching effect. With an integrated complementary metal-oxide-semiconductor (CMOS) drive, arrayed synaptic QLEDs can simulate the visualization of brain-like learning processes, which can reduce the noise toward high image recognition rate (>95.0%) by deep neural networks. Our findings introduce a novel brain-inspired optoelectronic approach with potential applications in optical neuromorphic systems.

Enhancement of cold-adapted heterotrophic nitrification and denitrification in Pseudomonas sp. NY1 by cupric ions: Performance and mechanism

Cupric ions can restrain biological nitrogen removal processes, which comprise nitrite reductase and nitric oxide reductase. Here, Pseudomonas sp. NY1 can efficiently perform heterotrophic nitrification and aerobic denitrification with cupric ions at 15 °C. At optimal culturing conditions, low cupric ion levels accelerated nitrogen degradation, and ammonium and nitrite removal efficiencies increased by 2.33%–4.85% and 6.76%–12.30%, respectively. Moreover, the maximum elimination rates for ammonium and nitrite increased from 9.48 to 10.26 mg/L/h and 6.20 to 6.80 mg/L/h upon adding 0.05 mg/L cupric ions. Additionally, low cupric ion concentrations promoted electron transport system activity (ETSA), especially for nitrite reduction. However, high concentrations of cupric ions decreased the ETSA during nitrogen conversion processes. The crucial enzymes ammonia monooxygenase, nitrate reductase, and nitrite reductase possessed similarly trends as ETSA upon exposure to cupric ion. These findings deepen the understanding for the effect of cupric ions on nitrogen consumption and bioremediation in nitrogen-polluted waters.

Effects of Salicylic Acid on Physiological Responses of Pepper Plants Pre-Subjected to Drought under Rehydration Conditions

Capsicum annuum L. has worldwide distribution, but drought has limited its production. There is a lack of research to better understand how this species copes with drought stress, whether it is reversible, and the effects of mitigating agents such as salicylic acid (SA). Therefore, this study aimed to understand the mechanisms of action of SA and rehydration on the physiology of pepper plants grown under drought conditions. The factorial scheme adopted was 3 × 4, with three water regimes (irrigation, drought, and rehydration) and four SA concentrations, namely: 0 (control), 0.5, 1, and 1.5 mM. This study evaluated leaf water percentage, water potential of shoots, chlorophylls (a and b), carotenoids, stomatal conductance, chlorophyll a fluorescence, and hydrogen peroxide (H2O2) concentration at different times of day, water conditions (irrigation, drought, and rehydration), and SA applications (without the addition of a regulator (0) and with the addition of SA at concentrations equal to 0.5, 1, and 1.5 mM). In general, exogenous SA application increased stomatal conductance (gs) responses and modified the fluorescence parameters (ΦPSII, qP, ETR, NPQ, D, and E) of sweet pepper plants subjected to drought followed by rehydration. It was found that the use of SA, especially at concentrations of 1 mM in combination with rehydration, modulates gs, which is reflected in a higher electron transport rate. This, along with the production of photosynthetic pigments, suggests that H2O2 did not cause membrane damage, thereby mitigating the water deficit in pepper plants. Plants under drought conditions and rehydration with foliar SA application at concentrations of 1 mM demonstrated protection against damage resulting from water stress. Focusing on sustainable productivity, foliar SA application of 1 mM could be recommended as a technique to overcome the adverse effects of water stress on pepper plants cultivated in arid and semi-arid regions.

Compensatory activity of the PC-ME1 metabolic axis underlies differential sensitivity to mitochondrial complex I inhibition.

Deficiencies in the electron transport chain (ETC) lead to mitochondrial diseases. While mutations are distributed across the organism, cell and tissue sensitivity to ETC disruption varies, and the molecular mechanisms underlying this variability remain poorly understood. Here we show that, upon ETC inhibition, a non-canonical tricarboxylic acid (TCA) cycle upregulates to maintain malate levels and concomitant production of NADPH. Our findings indicate that the adverse effects observed upon CI inhibition primarily stem from reduced NADPH levels, rather than ATP depletion. Furthermore, we find that Pyruvate carboxylase (PC) and ME1, the key mediators orchestrating this metabolic reprogramming, are selectively expressed in astrocytes compared to neurons and underlie their differential sensitivity to ETC inhibition. Augmenting ME1 levels in the brain alleviates neuroinflammation and corrects motor function and coordination in a preclinical mouse model of CI deficiency. These studies may explain why different brain cells vary in their sensitivity to ETC inhibition, which could impact mitochondrial disease management.

Viscous terahertz photoconductivity of hydrodynamic electrons in graphene.

Light incident upon materials can induce changes in their electrical conductivity, a phenomenon referred to as photoresistance. In semiconductors, the photoresistance is negative, as light-induced promotion of electrons across the bandgap enhances the number of charge carriers participating in transport. In superconductors and normal metals, the photoresistance is positive because of the destruction of the superconducting state and enhanced momentum-relaxing scattering, respectively. Here we report a qualitative deviation from the standard behaviour in doped metallic graphene. We show that Dirac electrons exposed to continuous-wave terahertz (THz) radiation can be thermally decoupled from the lattice, which activates hydrodynamic electron transport. In this regime, the resistance of graphene constrictions experiences a decrease caused by the THz-driven superballistic flow of correlated electrons. We analyse the dependencies of the negative photoresistance on the carrier density, and the radiation power, and show that our superballistic devices operate as sensitive phonon-cooled bolometers and can thus offer, in principle, a picosecond-scale response time. Beyond their fundamental implications, our findings underscore the practicality of electron hydrodynamics in designing ultra-fast THz sensors and electron thermometers.

Data mining of PubChem bioassay records reveals diverse OXPHOS inhibitory chemotypes as potential therapeutic agents against ovarian cancer

Focused screening on target-prioritized compound sets can be an efficient alternative to high throughput screening (HTS). For most biomolecular targets, compound prioritization models depend on prior screening data or a target structure. For phenotypic or multi-protein pathway targets, it may not be clear which public assay records provide relevant data. The question also arises as to whether data collected from disparate assays might be usefully consolidated. Here, we report on the development and application of a data mining pipeline to examine these issues. To illustrate, we focus on identifying inhibitors of oxidative phosphorylation, a druggable metabolic process in epithelial ovarian tumors. The pipeline compiled 8415 available OXPHOS-related bioassays in the PubChem data repository involving 312,093 unique compound records. Application of PubChem assay activity annotations, PAINS (Pan Assay Interference Compounds), and Lipinski-like bioavailability filters yields 1852 putative OXPHOS-active compounds that fall into 464 clusters. These chemotypes are diverse but have relatively high hydrophobicity and molecular weight but lower complexity and drug-likeness. These chemotypes show a high abundance of bicyclic ring systems and oxygen containing functional groups including ketones, allylic oxides (alpha/beta unsaturated carbonyls), hydroxyl groups, and ethers. In contrast, amide and primary amine functional groups have a notably lower than random prevalence. UMAP representation of the chemical space shows strong divergence in the regions occupied by OXPHOS-inactive and -active compounds. Of the six compounds selected for biological testing, 4 showed statistically significant inhibition of electron transport in bioenergetics assays. Two of these four compounds, lacidipine and esbiothrin, increased in intracellular oxygen radicals (a major hallmark of most OXPHOS inhibitors) and decreased the viability of two ovarian cancer cell lines, ID8 and OVCAR5. Finally, data from the pipeline were used to train random forest and support vector classifiers that effectively prioritized OXPHOS inhibitory compounds within a held-out test set (ROCAUC 0.962 and 0.927, respectively) and on another set containing 44 documented OXPHOS inhibitors outside of the training set (ROCAUC 0.900 and 0.823). This prototype pipeline is extensible and could be adapted for focus screening on other phenotypic targets for which sufficient public data are available.Scientific contributionHere, we describe and apply an assay data mining pipeline to compile, process, filter, and mine public bioassay data. We believe the procedure may be more broadly applied to guide compound selection in early-stage hit finding on novel multi-protein mechanistic or phenotypic targets. To demonstrate the utility of our approach, we apply a data mining strategy on a large set of public assay data to find drug-like molecules that inhibit oxidative phosphorylation (OXPHOS) as candidates for ovarian cancer therapies.Graphical