Optical coherence tomography (OCT) - versus angiography-guided strategy for percutaneous coronary intervention: a meta-analysis of randomized trials.

BACKGROUND: Optical coherence tomography (OCT) guidance in percutaneous coronary intervention (PCI) has been shown to improve procedural outcomes. However, evidence supporting its superiority over angiography-guided PCI in terms of clinical outcomes is still emerging and limited. This study aimed to compare the efficacy and safety of OCT-guided PCI versus angiography-guided PCI in patients with coronary artery disease (CAD). METHODS: A systematic search of electronic databases was conducted to identify randomized control trials (RCTs) comparing the clinical outcomes of OCT-guided and angiography-guided PCI in patients with CAD. Clinical endpoints including all-cause mortality, myocardial infarction (MI), target lesion revascularization (TLR), stent thrombosis and major adverse cardiac events (MACE) were assessed. RESULTS: Eleven RCTs, comprising 2,699 patients in the OCT-guided group and 2,968 patients in the angiography-guided group met inclusion criteria. OCT-guided PCI was associated with significantly lower rates of cardiovascular death(RR 0.56; 95%CI: 0.32-0.98; p = 0.04; I2 = 0%), stent thrombosis(RR 0.56; 95%CI: 0.33-0.95; p = 0.03; I2 = 0%), and MACE (RR 0.79; 95%CI: 0.66-0.95; p = 0.01; I2 = 5%). The incidence of all-cause death (RR 0.71; 95%CI: 0.49-1.02; p = 0.06; I2 = 0%), myocardial infarction (RR 0.86; 95%CI: 0.67-1.10; p = 0.22; I2 = 0%) and TLR (RR 0.98; 95%CI: 0.73-1.33; p = 0.91; I2 = 0%) was non-significantly lower in the OCT-guided group. CONCLUSIONS: Among patients undergoing PCI, OCT-guided PCI was associated with lower incidences of cardiovascular death, stent thrombosis and MACE compared to angiography-guided PCI. TRIAL REGISTRATION: PROSPERO registration number: CRD42023484342.

The Bach1/HO-1 pathway regulates oxidative stress and contributes to ferroptosis in doxorubicin-induced cardiomyopathy in H9c2 cells and mice.

Doxorubicin (DOX) is one of the most frequently used chemotherapeutic drugs belonging to the class of anthracyclines. However, the cardiotoxic effects of anthracyclines limit their clinical use. Recent studies have suggested that ferroptosis is the main underlying pathogenetic mechanism of DOX-induced cardiomyopathy (DIC). BTB-and-CNC homology 1 (Bach1) acts as a key role in the regulation of ferroptosis. However, the mechanistic role of Bach1 in DIC remains unclear. Therefore, this study aimed to investigate the underlying mechanistic role of Bach1 in DOX-induced cardiotoxicity using the DIC mice in vivo (DOX at cumulative dose of 20 mg/kg) and the DOX-treated H9c2 cardiomyocytes in vitro (1 µM). Our results show a marked upregulation in the expression of Bach1 in the cardiac tissues of the DOX-treated mice and the DOX-treated cardiomyocytes. However, Bach1-/- mice exhibited reduced lipid peroxidation and less severe cardiomyopathy after DOX treatment. Bach1 knockdown protected against DOX-induced ferroptosis in both in vivo and in vitro models. Ferrostatin-1 (Fer-1), a potent inhibitor of ferroptosis, significantly alleviated DOX-induced cardiac damage. However, the cardioprotective effects of Bach1 knockdown were reversed by pre-treatment with Zinc Protoporphyrin (ZnPP), a selective inhibitor of heme oxygenase-1(HO-1). Taken together, these findings demonstrated that Bach1 promoted oxidative stress and ferroptosis through suppressing the expression of HO-1. Therefore, Bach1 may present as a promising new therapeutic target for the prevention and early intervention of DOX-induced cardiotoxicity.

Methane sink of subterranean space in an integrated atmosphere-soil-cave system.

CH4 serves as an important greenhouse gas, yet limited knowledge is available in global and regional CH4 cycling, particularly in widely distributed karst terrain. In this study, we investigated an upland in Puding Karst Ecosystem Research Station, and explored CH4 concentration and/or flux in atmosphere, soil and cave using a closed static chamber method and an eddy covariance system. Meanwhile, we monitored atmospheric temperature, precipitation, temperature and wind velocity in the cave entrance. The results demonstrated that atmospheric CH4 and actual soil CH4 fluxes in the source area of eddy covariance system were -0.19 ± 8.64 nmols-1m-2 and -0.16 nmols-1m-2 respectively. The CH4 concentrations in Shawan Cave exhibited 10 âˆ¼ 100-fold lower than that of the external atmosphere. CH4 oxidation rate dominated by methane-oxidizing bacteria was 1.98 nmols-1m-2 in Shawan Cave when it combined with temperature difference between cave and external atmosphere. Therefore, CH4 sink in global karst subterranean spaces was estimated at 106.2 Tg CH4 yr-1. We supplemented an understanding of CH4 cycling paths and fluxes in karst terrain, as well as CH4 sinks in karst subterranean space. Further works require to establish a karst ecosystem observation network to conduct long-term integrated studies on CH4 fluxes regarding atmosphere, soils, plants and caves.

Design of ultrahigh-Q silicon microring resonators based on free-form curves.

A design method for ultrahigh-Q microring resonators (MRRs) based on Bezier free-form curves was proposed and demonstrated. An MRR consisting of a specially designed 180° waveguide bend, a directional coupler, and two low-loss multi-mode strip waveguides was designed. The free-form curves were used to increase the degree of freedom in the design, shaping the waveguide bend with a gradient width and curvature. This design effectively reduced the propagation loss caused by the roughness of waveguide sidewalls and the mode mismatch loss caused by the excitation of high order modes. The small effective radius of only 20µm enabled the MRR to have a large free spectral range (FSR) and a compact and flexible structure. The MRR was manufactured using a standard process provided by foundry and measured to have an ultrahigh loaded Q factor of 1.86 × 106 and a FSR of about 1 nm.

Electroreduction of unactivated alkenes using water as hydrogen source.

Herein, we report an electroreduction of unactivated alkyl alkenes enabled by [Fe]-H, which is provided through the combination of anodic iron salts and the silane generated in situ via cathodic reduction, using H2O as an H-source. The catalytic amounts of Si-additive work as an H-carrier from H2O to generate a highly active silane species in situ under continuous electrochemical conditions. This approach shows a broad substrate scope and good functional group compatibility. In addition to hydrogenation, the use of D2O instead of H2O provides the desired deuterated products in good yields with excellent D-incorporation (up to >99%). Further late-stage hydrogenation of complex molecules and drug derivatives demonstrate potential application in the pharmaceutical industry. Mechanistic studies are performed and provide support for the proposed mechanistic pathway.

Agaro-oligosaccharides mitigate deoxynivalenol-induced intestinal inflammation by regulating gut microbiota and enhancing intestinal barrier function in mice.

Agarose-derived agaro-oligosaccharides (AgaroS) have been extensively studied in terms of structures and bioactivities; they reportedly possess antioxidant and anti-inflammatory activities that maintain intestinal homeostasis and host health. However, the protective effects of AgaroS on deoxynivalenol (DON)-induced intestinal dysfunction remain unclear. We investigated the effects of AgaroS on DON-induced intestinal dysfunction in mice and explored the underlying protective mechanisms. In total, 32 mice were randomly allocated to four treatments (n = 8 each) for 28 days. From day 1 to day 21, the control (CON) and DON groups received oral phosphate-buffered saline (200 µL per day); the AgaroS and AgaroS + DON groups received 200 mg AgaroS per kg body weight once daily by orogastric gavage. Experimental intestinal injury was induced by adding DON (4.8 mg per kg body weight) via gavage from day 21 to day 28. Phosphate-buffered saline was administered once daily by gavage in the CON and AgaroS groups. Herein, AgaroS supplementation led to a higher final body weight and smaller body weight loss and a lower concentration of plasma inflammatory cytokines, compared with the DON group. The DON group showed a significantly reduced ileal villus height and villus height/crypt depth, compared with the CON and AgaroS + DON groups. However, AgaroS supplementation improved DON-induced intestinal injury in mice. Compared with the DON group, ileal and colonic protein expression levels of claudin, occludin, Ki67, and mucin2 were significantly higher in the AgaroS supplementation group. Colonic levels of the anti-inflammatory cytokine IL-1ß tended to be higher in the DON group than in the AgaroS + DON group. AgaroS altered the gut microbiota composition, accompanied by increased production of short-chain fatty acids in mice. In conclusion, our findings highlight a promising anti-mycotoxin approach whereby AgaroS alleviate DON-induced intestinal inflammation by modulating intestinal barrier functional integrity and gut microbiota in mice.

A new technique of autologous bone grafting for open-wedge high tibial osteotomy.

Purpose: This study aimed to demonstrate the application of orthotopic bone flap transplantation with a fibula transplantation (OBFT-FT) in open-wedge high tibial osteotomy (OW-HTO) and to assess the effect of OBFT-FT on gap healing. Patients and methods: From January to July 2020, 18 patients who underwent OW-HTO with OBFT-FT were reviewed for this study. Demographics, postoperative complications, and radiological and clinical outcomes of patients were collected. Finally, the clinical outcomes of patients were analyzed. Results: A total of 14 patients were included in this study. The average age and body mass index were 59.6 ± 9.2 years and 28.1 ± 4.5 kg/m2, respectively. The average correction angle and gap width were 9.5 ± 1.8° and 10.2 ± 2.7 mm, respectively. The rates of radiological gap healing at sixth week, third month, and sixth month were 42.9%, 85.7%, and 100%, respectively. The mean Lysholm score, International Knee Documentation Committee score, and visual analog scale scores at sixth-month follow-up were significantly better than the preoperative scores (p < 0.001, p < 0.001, p = 0.001, respectively). And, no delayed union or non-union, collapse, loss of correction, or surgical site infection were found. Conclusions: As a new technique for autologous bone graft, the OBFT-FT could be successfully applied in the treatment of gap healing after OW-HTO, and excellent radiological and clinical outcomes could be seen on patients' short-term follow-up.

Peak ground acceleration prediction for on-site earthquake early warning with deep learning.

Rapid and accurate prediction of peak ground acceleration (PGA) is an important basis for determining seismic damage through on-site earthquake early warning (EEW). The current on-site EEW uses the feature parameters of the first arrival P-wave to predict PGA, but the selection of these feature parameters is limited by human experience, which limits the accuracy and timeliness of predicting peak ground acceleration (PGA). Therefore, an end-to-end deep learning model is proposed for predicting PGA (DLPGA) based on convolutional neural networks (CNNs). In DLPGA, the vertical initial arrival 3-6 s seismic wave from a single station is used as input, and PGA is used as output. Features are automatically extracted through a multilayer CNN to achieve rapid PGA prediction. The DLPGA is trained, verified, and tested using Japanese seismic records. It is shown that compared to the widely used peak displacement (Pd) method, the correlation coefficient of DLPGA for predicting PGA has increased by 12-23%, the standard deviation of error has decreased by 22-25%, and the error mean has decreased by 6.92-19.66% with the initial 3-6 s seismic waves. In particular, the accuracy of DLPGA for predicting PGA with the initial 3 s seismic wave is better than that of Pd for predicting PGA with the initial 6 s seismic wave. In addition, using the generalization test of Chilean seismic records, it is found that DLPGA has better generalization ability than Pd, and the accuracy of distinguishing ground motion destructiveness is improved by 35-150%. These results confirm that DLPGA has significant accuracy and timeliness advantages over artificially defined feature parameters in predicting PGA, which can greatly improve the effect of on-site EEW in judging the destructiveness of ground motion.

One-pot solvothermal synthesis of Cu-Fe-MOF for efficiently activating peroxymonosulfate to degrade organic pollutants in water:Effect of electron shuttle.

Persulfate-based advanced oxidation processes (PS-AOPs) show a bright prospect in sewage purification. The development of efficient catalysts with simple preparation process and eco-friendliness is the key for their applying in practical water treatment. Herein, a bimetallic Cu-Fe metal organic framework (MOF) was simply synthesized by using one-pot solvothermal methods and employed for activating peroxymonosulfate (PMS) to degrade organic pollutants in water. The Cu-Fe-MOF/PMS exhibited excellent degradation efficiencies (over 95% in 30 min) for a variety of pollutants, including phenol, bisphenol A, 2,4-dichlorophenol, methyl blue, rhodamine B, tetracycline and sulfamethoxazole. The degradation efficiency was impacted by dosages of Cu-Fe-MOF, PMS concentrations, reaction temperature, solution pH and anionic species. Phenol could be efficiently decomposed in a wide pH range of 5-9, with the highest degradation and mineralization efficiency of nearly 100% and 70%, respectively. Free radicals and non-free radicals participated in degrading of phenol at the same time, with dominantly free radical process, because sulfate radicals (SO4·-) and hydroxyl radicals (·OH) were the primary active substances by contribution calculation. Cu-Fe-MOF was acted as electron shuttle between molecules of phenol and PMS, and the cooperation effect of Fe and Cu on the Cu-Fe-MOF promoted the electron transfer, achieving the high degradation efficiency of phenol. Thus, Cu-Fe-MOF is an ideal catalyst for activating PMS, which is conducive to promote the applying of catalyst-activated PMS processes for practical wastewater treatments.

Development of a Multifaceted Perspective for Systematic Analysis, Assessment, and Performance for Environmental Standards of Contaminated Sites.

Contaminated soil and groundwater can pose significant risks to human health and ecological environments, making the remediation of contaminated sites a pressing and sustained challenge. It is significant to identify key performance indicators and advance environmental management standards of contaminated sites. The traditional study currently focuses on the inflexible collection of related files and displays configurable limitations regarding integrated assessment and in-depth analysis of published standards. In addition, there is a relative lack of research focusing on the analysis of different types of standard documents. Herein, we introduce a cross-systematic retrospective and review for the development of standards of the contaminated sites, including the comprehensive framework, multifaceted analysis, and improved suggestion of soil and groundwater standards related to the environment. The classification and structural characteristics of different types of files are systematically analyzed of over 300 national, trade, local, and group standards for the contaminated sites. It exhibits that trade standards are the main types and testing methods are the important format within numerical considerations of soil standards. The guide standard serves as a crucial component in environmental management for investigating, assessing, and remediating of contaminated sites. Future improvement plans and development directions are proposed for advancing robust technical support for effective soil contamination prevention and control. This multidimensional analysis and the accompanying suggestions can provide improved guidance for Chinese environmental management of contaminated sites and sparkle the application of standards in a wide range of countries.

The effect of cave ventilation on carbon and oxygen isotopic fractionation between calcite and drip water.

Rapid CO2 degassing and calcite precipitation driven by cave ventilation influence the speleothem δ18O and δ13C. However, the drivers of cave ventilation are not completely understood due to the lack of monitoring of multiple environmental factors. Furthermore, the understanding of isotope fractionation caused by the dissolution of speleothem in undersaturated drip water is limited during the cave air stagnation. In this study, we displayed four years of cave microenvironment monitoring in Shawan Cave, Southwestern China, and analyzed the δ13CDIC and δ18O of drip water, and calcite precipitation δ18O and δ13C. The results show that the ventilation process is attributed to buoyancy airflow between external atmosphere, fissure air, and cave air. This causes that the higher (lower) cave air pCO2 in the summer (winter) is associated with upward airflow mode (downward airflow mode). Furthermore, cave ventilation could control the isotopic fractionation. Specifically, when cave air pCO2 is lower, the carbon isotopic disequilibrium between calcite and dissolved inorganic carbon (DIC) is controlled by the degassing of CO2 associated with calcite precipitation. The disequilibrium fractionation in carbon isotopes is less pronounced at slower drip-rate sites. The oxygen isotope fractionation between calcite and the drip water is found to be close to equilibrium. However, the high cave air pCO2 (exceeding 10,000 ppm) may result in drip water undersaturation to drive the dissolution of speleothem calcite. The δ18O values of drip water are pulled away from their original values to disequilibrate to the calcite because the exchange time of oxygen in the dissolved carbonates with the oxygen in the water is sufficiently long. Hence, the dissolution of speleothems may be a new mechanism to explain the oxygen isotopic disequilibrium between the calcite and drip water during the cave air stagnation. The carbon isotope fractionation between calcite and drip water is close to equilibrium.

Introduction and An Analysis of Inter- and Intra-observer Validity to the Classification of Hoffa-Like Tibial Plateau Fractures.

OBJECTIVE: The posterior coronal shearing fractures of the tibial plateau are rare and can be easily missed or ignored. Our team defined these fractures as Hoffa-like fracture of the tibial plateau and conducted a series of studies. The aim of this study is to introduce the characteristics of the Hoffa-like fracture of the tibial plateau, propose a new classification system and evaluate its validity. METHODS: Sixty-one patients with Hoffa-like fractures of the tibial plateau were treated in five trauma centers (I-III) from 2017 to 2020. A new classification system was developed based on the morphological fracture patterns in CT and radiographic of the first 30 cases. Ten cases of suspected tibial plateau Hoffa-like fractures were supplemented additionally to the 61 cases to increase the accuracy. CT and radiographic images of the 71 cases were reviewed independently by four reviewers on two separate occasions and classified according to the new classification system. Cohen's kappa coefficient (κ) was used to analyze the reliability on separate observers at the same time and to analyze the classification made by same observer at different times (intra-observer), which measures inter-observer and intra-observer agreements. RESULTS: Out of the 61 patients, 46 (75.4%) isolated coronal fractures involving the medial condyle of tibial plateaus and 53 (86.9%) combined with intercondylar spine fractures. The κ-values were calculated for the new classification system (mean κ = 0.74 inter-observer, mean κ = 0.79 intra-observer, indicating substantial agreement). CONCLUSION: The novel classification lends insight into fracture morphology of the tibial plateau Hoffa-like fractures, has good inter- and intra-observer validity, and it aids in treatment.

Aluminum-incorporation activates vanadium carbide with electron-rich carbon sites for efficient pH-universal hydrogen evolution reaction.

Vanadium carbide (VC) is the greatest potential hydrogen evolution reaction (HER) catalyst because of its platinum-like property and abundant earth reserves. However, it exhibits insufficient catalytic performance due to the unfavorable interaction of reaction intermediates with catalysts. In this work, using NH4VO3 as the main raw material, the flow ratio of CH4 to Ar was accurately controlled, and a non-transition metal Al-doped into VC (100) nano-flowers with carbon hybrids on nickel foams (Al-VC@C/NF) was prepared for the first time as a high-efficiency HER catalyst by chemical vapor carbonization. The overpotential of Al-VC@C/NF catalysts in 0.5 M H2SO4 and 1 M KOH at a current density of 10 mA cm-2 are only 58 mV and 97 mV, respectively, which are the best HER performance among non-noble metal vanadium carbide based catalysts. Simultaneously, Al-VC@C/NF exhibits small Tafel slope (45 mV dec-1 and 73 mV dec-1) and excellent stability in acidic and alkaline media. Theoretical calculations demonstrate that doped Al atoms can induce electron redistribution on the vanadium carbide surface to form electron-rich carbon sites, which significantly reduces the energy barrier during the HER process. This work provides a new tactic to modulate vanadium-based carbons as efficient HER catalysts through non-transition metal doping.

Function identification of miR159a, a positive regulator during poplar resistance to drought stress.

Drought seriously affects the growth and development of plants. MiR159 is a highly conserved and abundant microRNA family that plays a crucial role in plant growth and stress responses. However, studies of its function in woody plants are still lacking. Here, the expression of miR159a was significantly upregulated after drought treatment in poplar, and the overexpression of miR159a (OX159a) significantly reduced the open area of the stomata and improved water-use efficiency in poplar. After drought treatment, OX159a lines had better scavenging ability of reactive oxygen species and damage of the membrane system was less than that in wild-type lines. MYB was the target gene of miR159a, as verified by psRNATarget prediction, RT-qPCR, degradome sequencing, and 5' rapid amplification of cDNA ends (5' RACE). Additionally, miR159a-short tandem target mimic suppression (STTM) poplar lines showed increased sensitivity to drought stress. Transcriptomic analysis comparing OX159a lines with wild-type lines revealed upregulation of a series of genes related to response to water deprivation and metabolite synthesis. Moreover, drought-responsive miR172d and miR398 were significantly upregulated and downregulated respectively in OX159a lines. This investigation demonstrated that miR159a played a key role in the tolerance of poplar to drought by reducing stomata open area, increasing the number and total area of xylem vessels, and enhancing water-use efficiency, and provided new insights into the role of plant miR159a and crucial candidate genes for the molecular breeding of trees with tolerance to drought stress.

Review: chitosan-based biopolymers for anion-exchange membrane fuel cell application.

Chitosan (CS)-based anion exchange membranes (AEMs) have gained significant attention in fuel cell applications owing to their numerous benefits, such as environmental friendliness, flexibility for structural alteration, and improved mechanical, thermal and chemical durability. This study aims to enhance the cell performance of CS-based AEMs by addressing key factors including mechanical stability, ionic conductivity, water absorption and expansion rate. While previous reviews have predominantly focused on CS as a proton-conducting membrane, the present mini-review highlights the advancements of CS-based AEMs. Furthermore, the study investigates the stability of cationic head groups grafted to CS through simulations. Understanding the chemical properties of CS, including the behaviour of grafted head groups, provides valuable insights into the membrane's overall stability and performance. Additionally, the study mentions the potential of modern cellulose membranes for alkaline environments as promising biopolymers. While the primary focus is on CS-based AEMs, the inclusion of cellulose membranes underscores the broader exploration of biopolymer materials for fuel cell applications.

Case series of ovarian neuroendocrine carcinoma: overview of clinicopathological features.

BACKGROUND: Ovarian neuroendocrine carcinoma (O-NEC) is a relatively uncommon neoplasm, and the current knowledge regarding its diagnosis and management is limited. In this series, our objective was to provide an overview of the clinicopathological characteristics of the disease by analyzing clinical case data to establish a theoretical foundation for the diagnosis and management of O-NEC. CASE PRESENTATION: We included three patients in the present case series, all of whom were diagnosed with primary O-NEC based on pathomorphological observation and immunohistochemistry. Patient 1 was a 62-year-old patient diagnosed with small cell carcinoma (SCC) of the pulmonary type. Post-surgery, the patient was diagnosed with stage II SCC of the ovary and underwent standardized chemotherapy; however, imaging examinations conducted at the 16-month follow-up revealed the existence of lymph node metastasis. Unfortunately, she passed away 21 months after the surgery. The other two patients were diagnosed with carcinoid tumors, one at age 39 and the other at age 71. Post-surgery, patient 2 was diagnosed with a carcinoid in the left ovary, whereas patient 3 was diagnosed with a carcinoid in her right ovary based on clinical evaluation. Neither of the cases received adjuvant therapy following surgery; however, they have both survived for 9 and 10 years, respectively, as of date. CONCLUSION: Primary O-NECs are rare and of diverse histological types, each of which has its own unique biological features and prognosis. SCC is a neoplasm characterized by high malignancy and a poor prognosis, whereas carcinoid tumors are of lesser malignancy and have a more favorable prognosis.

Uncovering SOD3 and GPX4 as new targets of Benzo[α]pyrene-induced hepatotoxicity through Metabolomics and Chemical Proteomics.

Benzo[α]pyrene (Bap) is recognized as a ubiquitous environmental pollutant among the polycyclic aromatic hydrocarbons (PAHs) class. Previous studies have shown that the hepatotoxicity of Bap is mainly caused by its metabolites, although it remains unclear whether Bap itself induces such damage. This study integrated metabolomics and chemical proteomics approaches to comprehensively identify the potential target proteins affected by Bap in liver cells. The results from the metabolomics showed that the significant changed metabolites were related with cellular redox homeostasis. CEllular Thermal Shift Assay (CETSA) showed that Bap induced protein thermal displacement of superoxide dismutase 3 (SOD3) and glutathione peroxidase 4 (GPX4), which are closely related to oxidative homeostasis. Further validation through in vitro CETSA and drug affinity response target stability (DARTS) revealed that Bap directly affected the stability of SOD3 and GPX4 proteins. The binding affinities of Bap to the potential target proteins were further evaluated using molecular docking, while the isothermal titration calorimetry (ITC) interaction measurements indicated nanomolar-level Kd values. Importantly, we found that Bap weakened the antioxidant capacity by destroying the activities of SOD3 and GPX4, which provided a new understanding of the mechanism of hepatotoxicity induced by Bap. Moreover, our provided workflow integrating metabolomics and label-free chemical proteomics, can be regarded as a practical way to identify the targets and inter-mechanisms for the various environmental compounds.

Metal-free electrochemical dihydroxylation of unactivated alkenes.

Herein, a metal-free electrochemical dihydroxylation of unactivated alkenes is described. The transformation proceeds smoothly under mild conditions with a broad range of unactivated alkenes, providing valuable and versatile dihydroxylated products in moderate to good yields without the addition of costly transition metals and stoichiometric amounts of chemical oxidants. Moreover, this method can be applied to a range of natural products and pharmaceutical derivatives, further demonstrating its synthetic utility. Mechanistic studies have revealed that iodohydrin and epoxide intermediate are formed during the reaction process.

Rational design of 2D MBene-based bifunctional OER/ORR dual-metal atom catalysts: a DFT study.

Designing highly active, low-cost, and bifunctional oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) catalysts is urgent for the development of metal-air batteries. Herein, by density functional theory (DFT) calculations, we systematically reported a series of dual-metal atom adsorbed novel two-dimensional (2D) MBenes as efficient bifunctional catalysts for the OER/ORR (namely 2TM/TM1TM2-Mo2B2O2, TM = Mn, Fe, Co, Ni). Our theoretical results show that 2Ni-Mo2B2O2, FeCo-Mo2B2O2 and CoNi-Mo2B2O2 exhibit outstanding OER/ORR catalytic activity with overpotentials of 0.49/0.27 V, 0.38/0.50 V and 0.25/0.51 V, respectively, exceeding those of IrO2(110) for the OER and Pt(111) for the ORR. Additionally, these highly active bifunctional catalysts can effectively suppress the hydrogen evolution reaction (HER), ensuring the absolute preference for the OER/ORR. More importantly, the Bader charge (QTM) of adsorbed dual-metal atoms is used as a descriptor of OER/ORR catalytic activity, which is linearly related to ηORR and volcanically related to -ηOER. Our work not only provides new theoretical guidance for developing noble metal-free bifunctional electrocatalysts but also enriches the application of MBenes in electrocatalysis.