Design, synthesis, X-ray crystal structure, and antifungal evaluation of new acetohydrazide derivatives containing a 4-thioquinazoline moiety.

Background: To find efficient agricultural fungicides, 29 new 4-thioquinazoline-containing acetohydrazide derivatives were prepared and tested for their fungicidal properties.

Results: All of the target compounds were characterized by H and C nuclear magnetic resonance and high-resolution mass spectrometry techniques, and the molecular structure of compound A2 was verified by single-crystal X-ray diffraction measurement. The experimental results revealed that many compounds from this series had impressive inhibition efficacies in vitro against the tested fungi.

Spin-Electrochemistry of Transition Metal Oxides for Energy Storage: Concepts, Advances and Perspectives.

Developing high-capacity and cyclically stable transition metal (TM)-based electrode materials for energy storage devices, such as aqueous ion energy storage systems, is crucial for addressing the growing issue of energy scarcity. The spin state, or spin configuration of the d-electrons, plays a vital role in the electrochemical energy storage performance of these materials. However, there has been a lack of systematic descriptions regarding the role of spin configurations in electrochemical energy storage to date.

Mn─O Covalency as a Lever for Na⁺ Intercalation Kinetics: The Role of Oxygen Edge-Sharing Co Octahedral Sites in MnO₂.

The strategic enhancement of manganese-oxygen (Mn─O) covalency is a promising approach to improve the intercalation kinetics of sodium ions (Na⁺) in manganese dioxide (MnO). In this study, an augmenting Mn─O covalency in MnO by strategically incorporating cobalt at oxygen edge-sharing Co octahedral sites is focused on. Both experimental results and density functional theory (DFT) calculations reveal an increased electron polarization from oxygen to manganese, surpassing that directed toward cobalt, thereby facilitating enhanced electron transfer and strengthening covalency.

Quantum Spin Exchange Interactions Trigger O p Band Broadening for Enhanced Aqueous Zinc-Ion Battery Performance.

The pressing demand for large-scale energy storage solutions has propelled the development of advanced battery technologies, among which zinc-ion batteries (ZIBs) are prominent due to their resource abundance, high capacity, and safety in aqueous environments. However, the use of manganese oxide cathodes in ZIBs is challenged by their poor electrical conductivity and structural stability, stemming from the intrinsic properties of MnO and the destabilizing effects of ion intercalation. To overcome these limitations, our research delves into atomic-level engineering, emphasizing quantum spin exchange interactions (QSEI).

Inducing weak and negative Jahn-Teller distortions to alleviate structural deformations for stable sodium storage.

In the quest for efficient supercapacitor materials, manganese-based layered oxide cathodes stand out for their cost-effectiveness and high theoretical capacity. However, their progress is hindered by the Jahn-Teller (J-T) distortion due to the unavoidable Mn to Mn reduction during ion storage processes. Our study addresses this challenge by stabilizing the KMnO cathode through strategic Mg substitution.

Spin Symmetry Breaking-Induced Hubbard Gap Near-Closure in N-Coordinated MnO for Enhanced Aqueous Zinc-Ion Battery Performance.

Transition metal oxides (TMOs) are promising cathode materials for aqueous zinc ion batteries (ZIBs), however, their performance is hindered by a substantial Hubbard gap, which limits electron transfer and battery cyclability. Addressing this, we introduce a heteroatom coordination approach, using triethanolamine to induce axial N coordination on Mn centers in MnO, yielding N-coordinated MnO (TEAMO). This approach leverages the change of electronegativity disparity between Mn and ligands (O and N) to disrupt spin symmetry and augment spin polarization.

Zn Single-Atom Catalysts Enable the Catalytic Transfer Hydrogenation of αβ-Unsaturated Aldehydes.

Highly active nonprecious-metal single-atom catalysts (SACs) toward catalytic transfer hydrogenation (CTH) of α,β-unsaturated aldehydes are of great significance but still are deficient. Herein, we report that Zn-N-C SACs containing Zn-N moieties can catalyze the conversion of cinnamaldehyde to cinnamyl alcohol with a conversion of 95.5% and selectivity of 95.

Electronegative Phosphorus-Integrated Co Active Sites for Enhanced Electrocatalytic Nitrogen Reduction.

In the quest for proficient electrocatalysts for ammonia's electrocatalytic nitrogen reduction, cobalt oxides, endowed with a rich d-electron reservoir, have emerged as frontrunners. Despite the previously evidenced prowess of CoO in this realm, its ammonia yield witnesses a pronounced decline as the reaction unfolds, a phenomenon linked to the electron attrition from its Co active sites during electrocatalytic nitrogen reduction reaction (ENRR). To counteract this vulnerability, we harnessed electron-laden phosphorus (P) elements as dopants, aiming to recalibrate the electronic equilibrium of the pivotal Co active site, thereby bolstering both its catalytic performance and stability.

Unlocking Spin Gates of Transition Metal Oxides via Strain Stimuli to Augment Potassium Ion Storage.

Transition metal oxides (TMOs) are key in electrochemical energy storage, offering cost-effectiveness and a broad potential window. However, their full potential is limited by poor understanding of their slow reaction kinetics and stability issues. This study diverges from conventional complex nano-structuring, concentrating instead on spin-related charge transfer and orbital interactions to enhance the reaction dynamics and stability of TMOs during energy storage processes.

Modulating the d-Band Center of Palladium via Ethylene Glycol Modification: Accelerating H Desorption for Enhanced Formate Electrooxidation.

This study addresses the critical challenge in alkaline direct formate fuel cells (DFFCs) of slow formate oxidation reaction (FOR) kinetics as a result of strong hydrogen intermediate (H) adsorption on Pd catalysts. We developed WO-supported Pd nanoparticles (EG-Pd/WO) via an organic reduction method using ethylene glycol (EG), aiming to modulate the d-band center of Pd and alter H adsorption dynamics. Cyclic voltammetry demonstrated significantly improved H desorption kinetics in EG-Pd/WO catalysts.

Cu-Modified Palladium Catalysts: Boosting Formate Electrooxidation via Interfacially OH-Driven H Removal.

Direct formate fuel cells have gained traction due to their eco-friendly credentials and inherent safety. However, their potential is hampered by the kinetic challenges of the formate oxidation reaction (FOR) on Pd-based catalysts, chiefly due to the unfavorable adsorption of hydrogen species (H). These species clog the active sites, hindering efficient catalysis.

Energizing Co Active Sites via d-Band Center Engineering in CeO-CoO Heterostructures: Interfacial Charge Transfer Enabling Efficient Nitrate Electrosynthesis.

The electrochemical nitrogen oxidation reaction (NOR) holds significant potential to revolutionize the traditional nitrate synthesis processes. However, the progression in NOR has been notably stymied due to the sluggish kinetics of initial N adsorption and activation processes. Herein, the research embarks on the development of a CeO-CoO heterostructure, strategically engineered to facilitate the electron transfer from CeO to CoO.

Built-in Electric Field-Induced Work Function Reduction in C-CoO for Efficient Electrochemical Nitrogen Reduction.

CoO is a highly selective catalyst for the electrochemical conversion of N to NH. However, the large work function (WF) of CoO leads to unsatisfactory activity. To address this issue, a strong built-in electric field (BIEF) was constructed in CoO by doping C atoms (C-CoO) to reduce the WF for improving the electrocatalytic performance.

Design, synthesis, and antimicrobial evaluation of 2-aminothiazole derivatives bearing the 4-aminoquinazoline moiety against plant pathogenic bacteria and fungi.

Background: To find more effective agricultural antibiotics, a class of new 2-aminothiazole derivatives containing the 4-aminoquinazoline moiety were synthesized and evaluated for their antimicrobial properties against phytopathogenic bacteria and fungi of agricultural importance.

Results: All the target compounds were fully characterized by H NMR, C NMR, and high-resolution mass spectrometry. The bioassay results showed that compound F29 with a 2-pyridinyl substituent exhibited an outstanding antibacterial effect against Xanthomonas oryzae pv.

Modulating the Interfacial Water Network of Dual-Site Pd/FeO/C Catalyst for Efficient Formate Electrooxidation.

The rational design of electrocatalysts for formate oxidation reaction (FOR) in alkaline media is crucial to promote the practical applications of direct formate fuel cells (DFFCs). The FOR kinetic on palladium (Pd) based electrocatalysts is strongly hindered by unfavorably adsorbed hydrogen (H) as the major intermediate species blocking the active sites. Herein, we report a strategy of modulating the interfacial water network of dual-site Pd/FeO/C catalyst to significantly enhance the desorption kinetics of H during FOR.

Internal Electric Field Induced by Superexchange Interaction on Mn -O -Ni Unit Enables Highly Efficient Hybrid Capacitive Deionization.

Internal electric field (IEF) construction is an innovative strategy to regulate the electronic structure of electrode materials to promote charge transfer processes. Despite the wide use of IEF in various applications, the underlying mechanism of its formation in an asymmetric TM-O-TM unit still remains poorly understood. Herein, the essential principles for the IEF construction at electron occupancy state level and explore its effect on hybrid capacitive deionization (HCDI) performance is systematically investigated.

Regulation of the Work Function Difference Promotes In Situ Phase Transition of WO for Efficient Formate Electrooxidation.

Direct formate fuel cells (DFFCs) have drawn tremendous attention because they are environmentally benign and have good safety. However, the lack of advanced catalysts for formate electrooxidation hinders the development and applications of DFFCs. Herein, we report a strategy of regulating the metal-substrate work function difference to effectively promote the transfer of adsorbed hydrogen (H), thus enhancing formate electrooxidation in alkaline solutions.

Local Electric Field Induced by Atomic-Level Donor-Acceptor Couple of O Vacancies and Mn Atoms Enables Efficient Hybrid Capacitive Deionization.

Transition metal oxides suffer from slow salt removal rate (SRR) due to inferior ions diffusion ability in hybrid capacitive deionization (HCDI). Local electric field (LEF) can efficiently improve the ions diffusion kinetics in thin electrodes for electrochemical energy storage. Nevertheless, it is still a challenge to facilitate the ions diffusion in bulk electrodes with high loading mass for HCDI.

Stabilization of Cu via Strong Electronic Interaction for Selective and Stable CO Electroreduction.

Copper oxide-based materials effectively electrocatalyze carbon dioxide reduction (CO RR). To comprehend their role and achieve high CO RR activity, Cu in copper oxides must be stabilized. As an electrocatalyst, Cu O nanoparticles were decorated with hexagonal boron nitride (h-BN) nanosheets to stabilize Cu .

Surface Reconstruction with a Sandwich-like C/Cu/C Catalyst for Selective and Stable CO Electroreduction.

For the steady electroreduction of carbon dioxide (CORR) to value-added chemicals with high efficiency, the uncontrollable surface reconstruction under highly reducing conditions is a critical issue in electrocatalyst design. Herein, we construct a catalyst model with a sandwich-like structure composed of highly reactive metallic Cu nanosheet that is confined in thin carbon layers (denoted as C/Cu/C nanosheet). The sandwich-like C/Cu/C nanosheet avoids the oxidation of the active site of metallic Cu at an ambient atmosphere owing to the protective coating of the carbon layer, which inhibits the surface reconstruction that occurs via the dissolution of copper oxides and redeposition of dissolved Cu ions.