Atmospheric wet deposition of trace elements in Bangladesh: A new insight into spatiotemporal variability and source apportionment.

The interaction between water vapor and natural/anthropogenic airborne particles deposits a massive amount of trace elements in the ecosystem. As the principal source region of the Indian monsoon originated from the Bay of Bengal, atmospheric trace elements in Bangladesh have impacted atmospheric wet deposition along the pathway, even reaching the headwaters in the Asian water tower. However, no study reports the atmospheric wet deposition of trace elements at the spatiotemporal scale. Thus, this study investigated the concentration, sources, and deposition of eighteen trace elements (Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Rb, Sr, Mo, Cd, Sn, Sb, Ba, and Pb) from 232 precipitation samples at four sites in Bangladesh. Results showed that the VWM concentrations of the eighteen measured trace elements ranged from 0.03 to 535.6 µg L-1. Zn, Fe, and Al were the principal elements of the atmosphere at four sites with mean values of 207.9 ± 227.8, 18.2 ± 9.3, and 16.3 ± 6.8 µg L-1, respectively. Besides, the eighteen trace elements showed significant variation in spatial scale with distinct seasonality. Enrichment factors of Zn, Sb, and Cd indicated serious anthropogenic influences. The major sources of trace elements were fossil fuel combustion, brick kilns, crustal dust, fugitive Pb, metal smelters, and battery recycling. Both the concentration and precipitation amount played a pivotal role in the deposition. Most of the air masses during the monsoon season came from marine sources passing over southern India and Sri Lanka. Meanwhile, the air masses during the non-monsoon season were from West Asia and the northwestern Indian subcontinent. The air masses are transported over a long range and deposit massive amounts of particulate matter in the Third Pole Himalayan region. This first-hand work on spatiotemporal variation provides a reference dataset for future targeting of the scientific community and policymakers for the development of strategies and action plans.

Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective.

Low dimensional electrocatalytic heterostructures have recently attracted significant attention in the catalysis community due to their highly tuneable interfaces and exciting electronic features, opening up new possibilities for effective nanometric control of both the charge carriers and energetic states of several intermediate catalytic species. In-depth understanding of electrocatalytic routes at the interface between two or more low-dimensional nanostructures has triggered the development of heterostructure nanocatalysts with extraordinary properties for water splitting reactions, NRR and CO2RR. This tutorial review provides an overview of the most recent advances in synthetic strategies for 0D-1D, 0D-2D, and 2D-2D nanoheterostructures, discussing key aspects of their electrocatalytic performances from experimental and computational perspectives as well as their applications towards the development of overall water splitting and Zn-air battery devices.

Atomically Dispersed Heteronuclear Dual-Atom Catalysts: A New Rising Star in Atomic Catalysis.

Atomic catalysts (AC) are gaining extensive research interest as the most active new frontier in heterogeneous catalysis due to their unique electronic structures and maximum atom-utilization efficiencies. Among all the atom catalysts, atomically dispersed heteronuclear dual-atom catalysts (HDACs), which are featured with asymmetric active sites, have recently opened new pathways in the field of advancing atomic catalysis. In this review, the up-to-date investigations on heteronuclear dual-atom catalysts together with the last advances on their theoretical predictions and experimental constructions are summarized. Furthermore, the current experimental synthetic strategies and accessible characterization techniques for these kinds of atomic catalysts, are also discussed. Finally, the crucial challenges in both theoretical and experimental aspects, as well as the future prospects of HDACs for energy-related applications are provided. It is believed that this review will inspire the rational design and synthesis of the new generation of highly effective HDACs.

Nature-inspired hierarchical materials for sensing and energy storage applications.

Nature-inspired hierarchical architectures have recently drawn enormous interest in the materials science community, being considered as promising materials for the development of high-performance wearable electronic devices. Their highly dynamic interfacial interactions have opened new horizons towards the fabrication of sustainable sensing and energy storage materials with multifunctional properties. Nature-inspired assemblies can exhibit impressive properties including ultrahigh sensitivity, excellent energy density and coulombic efficiency behaviors as well as ultralong cycling stability and durability, which can be finely tuned and enhanced by controlling synergistic interfacial interactions between their individual components. This tutorial review article aims to address recent breakthroughs in the development of advanced Nature-inspired sensing and energy storage materials, with special emphasis on the influence of interfacial interactions over their improved properties.

A New Class of Molecular Electrocatalysts for Hydrogen Evolution: Catalytic Activity of M3N@C2n (2n = 68, 78, and 80) Fullerenes.

The electrocatalytic properties of some endohedral fullerenes for hydrogen evolution reactions (HER) were recently predicted by DFT calculations. Nonetheless, the experimental catalytic performance under realistic electrochemical environments of these 0D-nanomaterials have not been explored. Here, for the first time, we disclose the HER electrocatalytic behavior of seven M3N@2n (2n = 68, 78, and 80) fullerenes (Gd3N@Ih(7)-C80, Y3N@Ih(7)-C80, Lu3N@Ih(7)-C80, Sc3N@Ih(7)-C80, Sc3N@D5h(6)-C80, Sc3N@D3h(5)-C78, and Sc3N@D3(6140)-C68) using a combination of experimental and theoretical techniques. The non-IPR Sc3N@D3(6140)-C68 compound exhibited the best catalytic performance toward the generation of molecular hydrogen, exhibiting an onset potential of -38 mV vs RHE, a very high mass activity of 1.75 A·mg-1 at -0.4 V vs RHE, and an excellent electrochemical stability, retaining 96% of the initial current after 24 h. The superior performance was explained on the basis of the fused pentagon rings, which represent a new and promising HER catalytic motif.

Tuning the Intermolecular Electron Transfer of Low-Dimensional and Metal-Free BCN/C60 Electrocatalysts via Interfacial Defects for Efficient Hydrogen and Oxygen Electrochemistry.

The development of low-dimensional (LD) supramolecular materials with multifunctional electrocatalytic properties has sparked the attention of the catalysis community. Herein, we report the synthesis of a new class of 0D-2D heterostructures composed of boron carbon nitride nanosheets (BCN NSs) and fullerene molecules (C60/F) that exhibit multifunctional electrocatalytic properties for the hydrogen evolution/oxidation reactions (HER/HOR) and the oxygen evolution/reduction reactions (OER/ORR). The electrocatalytic properties were studied with varying F:BCN weight ratios to optimize the intermolecular electron transfer (ET) from the BCN NSs to the electron-accepting C60 molecules. The nanohybrid supramolecular material with 10 wt % F in BCN NSs (10% F/BCN) exhibited the largest Raman and C 1s binding energy shifts, which were associated with greater cooperativity interactions and enhanced ET processes at the F/BCN interface. This synergistic interfacial phenomenon resulted in highly active catalytic sites that markedly boosted electrocatalytic activity of the material. The 10% F/BCN showed the highest tetrafunctional catalytic performance, outperforming the OER catalytic activity of commercial RuO2 catalysts with a η10 of 390 mV and very competitive onset potential values of -0.042 and 0.92 V vs RHE for HER and ORR, respectively, and a current density value of 1.47 mA cm-2 at 0.1 V vs RHE with an ultralow ΔGH* value of -0.03 eV toward the HOR process. Additionally, the 10% F/BCN catalyst was also used as both cathode and anode in a water splitting device, delivering a cell potential of 1.61 V to reach a current density of 10 mA cm-2.

Co-Cu Bimetallic Metal Organic Framework Catalyst Outperforms the Pt/C Benchmark for Oxygen Reduction.

Platinum (Pt)-based-nanomaterials are currently the most successful catalysts for the oxygen reduction reaction (ORR) in electrochemical energy conversion devices such as fuel cells and metal-air batteries. Nonetheless, Pt catalysts have serious drawbacks, including low abundance in nature, sluggish kinetics, and very high costs, which limit their practical applications. Herein, we report the first rationally designed nonprecious Co-Cu bimetallic metal-organic framework (MOF) using a low-temperature hydrothermal method that outperforms the electrocatalytic activity of Pt/C for ORR in alkaline environments. The MOF catalyst surpassed the ORR performance of Pt/C, exhibiting an onset potential of 1.06 V vs RHE, a half-wave potential of 0.95 V vs RHE, and a higher electrochemical stability (ΔE1/2 = 30 mV) after 1000 ORR cycles in 0.1 M NaOH. Additionally, it outperformed Pt/C in terms of power density and cyclability in zinc-air batteries. This outstanding behavior was attributed to the unique electronic synergy of the Co-Cu bimetallic centers in the MOF network, which was revealed by XPS and PDOS.

Fullerenes as Key Components for Low-Dimensional (Photo)electrocatalytic Nanohybrid Materials.

An emerging class of heterostructures with unprecedented (photo)electrocatalytic behavior, involving the combination of fullerenes and low-dimensional (LD) nanohybrids, is currently expanding the field of energy materials. The unique physical and chemical properties of fullerenes have offered new opportunities to tailor both the electronic structures and the catalytic activities of the nanohybrid structures. Here, we comprehensively review the synthetic approaches to prepare fullerene-based hybrids with LD (0D, 1D, and 2D) materials in addition to their resulting structural and catalytic properties. Recent advances in the design of fullerene-based LD nanomaterials for (photo)electrocatalytic applications are emphasized. The fundamental relationship between the electronic structures and the catalytic functions of the heterostructures, including the role of the fullerenes, is addressed to provide an in-depth understanding of these emerging materials at the molecular level.

Tailoring the Interfacial Interactions of van der Waals 1T-MoS2/C60 Heterostructures for High-Performance Hydrogen Evolution Reaction Electrocatalysis.

Fullerene-based low-dimensional (LD) heterostructures have emerged as excellent energy conversion materials. We constructed van der Waals 1T-MoS2/C60 0D-2D heterostructures via a one-pot synthetic approach for catalytic hydrogen generation. The interfacial 1T-MoS2-C60 and C60-C60 interactions as well as their electrocatalytic properties were finely controlled by varying the weight percentages of the fullerenes. 1T-MoS2 platforms provided a novel template for the formation of C60 nanosheets (NSs) within a very narrow fullerene concentration range. The heterostructure domains of 1T-MoS2 and C60 NSs exhibited excellent hydrogen evolution reaction (HER) performances, with one of the lowest onset potentials and ΔGH* values for LD non-precious nanomaterials reported to date.

Tuning of Trifunctional NiCu Bimetallic Nanoparticles Confined in a Porous Carbon Network with Surface Composition and Local Structural Distortions for the Electrocatalytic Oxygen Reduction, Oxygen and Hydrogen Evolution Reactions.

The rational design of multifunctional catalysts that use non-noble metals to facilitate the interconversion between H2, O2, and H2O is an intense area of investigation. Bimetallic nanosystems with highly tunable electronic, structural, and catalytic properties that depend on their composition, structure, and size have attracted considerable attention. Herein, we report the synthesis of bimetallic nickel-copper (NiCu) alloy nanoparticles confined in a sp2 carbon framework that exhibits trifunctional catalytic properties toward hydrogen evolution (HER), oxygen reduction (ORR), and oxygen evolution (OER) reactions. The electrocatalytic functions of the NiCu nanoalloys were experimentally and theoretically correlated with the composition-dependent local structural distortion of the bimetallic lattice at the nanoparticle surfaces. Our study demonstrated a downshift of the d-band of the catalysts that adjusts the binding energies of the intermediate catalytic species. XPS analysis revealed that the binding energy for Ni 2p3/2 band of the Ni0.25Cu0.75/C nanoparticles was shifted ∼3 times compared to other bimetallic systems, and this was correlated to the high electrocatalytic activity observed. Interestingly, the bimetallic Ni0.25Cu0.75/C catalyst surpassed the OER performance of RuO2 benchmark catalyst exhibiting a small onset potential of 1.44 V vs RHE and an overpotential of 400 mV at 10 mA·cm-2 as well as the electrochemical long-term stability of commercial RuO2 and Pt catalysts and kept at least 90% of the initial current applied after 20 000 s for the OER/ORR/HER reactions. This study reveals significant insight about the structure-function relationship for non-noble bimetallic nanostructures with multifunctional electrocatalytic properties.

Nanoparticle-templated conversion of glucose to a high surface area biocarbon for the removal of organic pollutants in water.

While extensive work has been done on the generation of adsorbents by carbonization of large polymeric structures, few works are currently available for the use of monomeric carbon molecules as precursors during carbonization. In this work we report the formation of a carbon adsorbent material from the carbonization of glucose in the presence of zinc oxide (ZnO) nanoparticle templates. Carbonization at 1,000 °C under inert atmosphere yields a product with Brunauer-Emmett-Teller (BET) surface area of 1,228.19 m2/g and 14.77 nm average pore diameter. Adsorption capacities against methylene blue, 2-naphthol and bisphenol-A at pH 7 were found to be 539 mg/g, 737 mg/g and 563 mg/g, respectively. Our material demonstrates a strong fit with the Langmuir isotherm, and adsorption kinetics show regression values near unity for the pseudo-second order kinetic model. A flow adsorption column was implemented for the remediation of tap water containing 20 mg/L methylene blue and found to quantitatively purify 11.5 L of contaminated water.

Hydrogeochemical appraisal, sources, quality and potential health risk assessment in Holocene and Pleistocene aquifers in Bangladesh.

This study integrated hydrochemical analysis, isotopic analysis, the integrated water quality index (IWQI), and the health risk assessment model to analyze hydrochemical characteristics, quality, and nitrate health risks in a typical agricultural and industrial (i.e., Holocene and Pleistocene) simultaneously affected by anthropogenic activities, as well as to explore the recharge mechanisms of the groundwater. The shallow groundwater is mainly Ca-HCO3- and deep groundwater is mainly Na-HCO3- types. In shallow and intermediate aquifers (Holocene), rainfall recharge is seen, but in deep aquifers (Holocene) and the Madhupur tract (Pleistocene), there is no evidence of recent recharge from the stable isotopic (δ2H‰ and δ18O‰) composition of groundwater. Anthropogenic sources significantly impacted the groundwater chemistry of shallow and intermediate aquifers more than geogenic sources. Most metalloids, and metals (As, and Cr, Fe, Ni, Pb, and Mn) and NO3- exceed the WHO-2011 and BD acceptable limit from shallow and intermediate groundwater. PCA analysis revealed the contamination of shallow and intermediate aquifers by metalloids, metals and from various anthropogenic activities. Based on the IWQI, HPI, HEI, and DC, groundwater samples from shallow and intermediate aquifers are unsuitable for oral consumption. The NPI shows that the metalloids, and metals are responsible for groundwater pollution in a descending order of As > Fe > Pb > Ni > Cr > Mn. Health risk assessment indicates oral and dermal consumption of contaminated water from shallow and intermediate aquifers can pose carcinogenic and non-carcinogenic health risks for both the adults and the children. The HQ and HI values of shallow and intermediate groundwater indicates higher non-carcinogenic risk. Carcinogenic risk through oral and dermal consumption follows an order of As > Ni > Cr > Pb and Ni > Cr > As > Pb, respectively. Compared to adults, children are more susceptible to both carcinogenic and non-carcinogenic risks. Potential threats to the health of people living in the study region need immediate attention from the public, government, and the scientific community.

Hydrogeochemical evaluation, groundwater contamination and associated health risk in southern Tangail, Bangladesh.

Water pollution is a worldwide concern that has growing severe in developed and developing nations. Increasing groundwater pollution threatening both the physical and environmental health of billions of people as well as economic progress. Consequently, hydrogeochemistry, water quality and potential health risk assessment is crucial for water resource management. The study area comprises Jamuna Floodplain (Holocene deposit) area in the west and the Madhupur tract (Pleistocene deposit) area in the eastern part. Total 39 groundwater samples were collected from the study area and were analyzed for physicochemical parameters, hydrogeochemical, trace metals, and isotopic composition. The water types are mainly Ca-HCO3- to Na-HCO3- types. The isotopic compositions (δ18O‰ and δ2H‰) analysis traces the recent recharge in Floodplain area from rainwater and no recent recharge in Madhupur tract. The concentration of NO3-, As, Cr, Ni, Pb, Fe, and Mn in shallow and intermediate aquifer at the Floodplain area exceed the WHO-2011 permissible limit and is lower at deep Holocene and Madhupur tract aquifer. The integrated weighted water quality index (IWQI) exposed groundwater from shallow and intermediate aquifer are unsuitable for drinking and deep Holocene aquifer and Madhupur tract are suitable for drinking purposes. PCA analysis confirmed that anthropogenic activity is dominant in shallow and intermediate aquifers. The non-carcinogenic and carcinogenic risk for adults and children is due to oral and dermal exposure. The non-carcinogenic risk evaluation revealed that the mean hazard index (HI) values range from 0.009742 to 16.37 for adults and 0.0124-20.83 for children, respectively, and most groundwater samples from shallow and intermediate aquifers exceed the permissible limit (HI>1). The carcinogenic risk ranges from 2.71 × 10-6-0.014 for adults and 3.44 × 10-6-0.017 for children via oral consumption and 7.09 × 10-11-1.18 × 10-6 for adults and 1.25 × 10-10-2.09 × 10-6 for children via dermal exposure. Spatial distribution shows the presence of trace metal and associated health risk is high in shallow and intermediate aquifer (Holocene) than in the deep (Holocene) Madhupur tract (Pleistocene). The study implies that effective water management will ensure safe drinking water for the future generation of people.

Detection of Leptin Using Electrocatalyst Mediated Impedimetric Sensing.

Obesity is a complex disorder associated with immense health consequences including high risk of cardiovascular diseases, diabetes, and cancer. Abnormality in the thyroid gland, genetics, less physical activity, uptake of excessive diet, and leptin resistance are critical factors in the development of obesity. To determine the treatment strategy, understanding the pathophysiology of obesity is crucial. For instances, leptin resistance mediated obesity defined by the presence of excessive leptin hormone (Lep) in the systemic circulation is very common in diet induced obesity. Therefore, our hypothesis is that quantitative measurement of Lep from blood can help to identify individuals with Lep resistant mediated obesity and thereby guide toward a proper treatment strategy. In this work, we aim to utilize an electrochemical immunosensing platform for diagnosis of obesity by measuring the Lep content in systemic circulation. A porous carbon confined FeNi bimetallic system was synthesized with three different ratios of Fe and Ni ions using high temperature pyrolysis technique. The suitability of the sensor for detecting Lep was studied using both CV and EIS techniques. The limit of detection (LOD) for GCE was recorded as 157.4 fg/mL with a wide linear concentration range of 500 fg/mL to 80 ng/mL, while for SPCE the LOD was 184.9 fg/mL with a linear range of 500 fg/mL to 50 ng/mL. Finally, the feasibility and applicability of the sensor for Lep detection was tested with serum collected from high fat diet induced obese rats. The selectivity, sensitivity, storage, and experimental stability and reproducibility tests showed potential for this biosensor platform as a point-of-care Lep detection device.

Impacts of seasonal variations and wastewater discharge on river quality and associated human health risks: A case of northwest Dhaka, Bangladesh.

Surface water pollution caused by the discharge of effluents from industrial estates has become a major concern for Dhaka (Bangladesh). This study aims to have a concise look at the severe river water pollution, mainly from effluents discharged from the tannery village. Effluent samples were collected from five ejected points, including the central effluent treatment plant (CETP), twenty adjacent river water, and two pond water nearby Hemayetpur, Savar. Thirty-one parameters have been observed at these sampling points for three seasons, from April 2021 to January 2022. The results obtained from water quality indices, i.e., water quality index (WQI), entropy water quality index (EWQI), and irrigation water quality index (IWQI), show that most studied surface water samples ranked "unsuitable" for consumption, irrigation, and anthropogenic purposes. The highest health risk was observed downstream of Hemayetpur city at the Savar CETP discharge site, indicating higher levels of heavy metal in the river water following the tannery village. Carcinogenic and non-carcinogenic human health risks could be triggered mainly by water consumption as concentrations of arsenic (As), chromium (Cr), nickel (Ni), and lead (Pb) exceeded the upper benchmark of 1 × 10-4 for adults and children. The results of the carcinogenic risk assessment revealed that children were more vulnerable to health hazards, and quick corrective action is required to control the increased levels of heavy metals at all sample locations. Therefore, through bioaccumulation, human health and the environment are affected in these areas. Using river water for consumption, household work, or even irrigation purposes is not advisable. This study's result highlighted that properly implementing compatible policies and programs is required to improve effluent treatment methods and provide biodegradability to the Dhaleshwari River.

Magnetic responsive mesoporous alginate/ß-cyclodextrin polymer beads enhance selectivity and adsorption of heavy metal ions.

Mesoporous (~7-8 nm) biopolymer hydrogel beads (HNTs-FeNPs@Alg/ß-CD) were synthesised via ionic polymerisation route to separate heavy metal ions. The adsorption capacity of HNTs-FeNPs@Alg/ß-CD was higher than that of raw halloysite nano tubes (HNTs), iron nanoparticles (FeNPs), and bare alginate beads. FeNPs induce the magnetic properties of adsorbent and metal-based functional groups in and around the hydrogel beads. The mesoporous surface of the adsorbent permits access of heavy metal ions onto the polymer beads to interact with internal active sites and the mesoporous polymer network. Maximum adsorption capacities of lead (Pb), copper (Cu), cadmium (Cd), and nickel (Ni) were 21.09 mg/g, 15.54 mg/g, 2.47 mg/g, and 2.68 mg/g, respectively. HNTs-FeNPs@Alg/ß-CD was able to adsorb heavy metals efficiently (75-99%) under environment-relevant concentrations (200 µg/L) from mixed metal contaminants. The adsorption and selectivity trends of heavy metals were Pb > Cu > Cd > Ni, despite electrostatic binding strength of Cd > Cu > Pb > Ni and covalent binding strength of Pb > Ni > Cu > Cd. It demonstrated that not only chemosorption but also physisorption acts as the sorption mechanism. The reduction in surface area, porosity, and pore volume of the expended adsorbent, along with sorption study results, confirmed that pore filling and intra-particle diffusion played a considerable role in removing heavy metals.

Reuse of gamma-ray irradiated textile wastewater: implications on the growth of Capsicum frutescens plant.

This investigation concentrates on the possibility of using gamma radiation for the decomposition of organic pollutants in textile wastewater and reuse as irrigation water. The wastewater sample was irradiated at four different absorbed doses of 3, 5, 8, and 10 kilo Gray (kGy). After irradiation at 8-10 kGy, physicochemical parameters, i.e., pH, turbidity, EC, total suspended solids (TSS) and total dissolved solids (TDS), have decreased sharply and approached to the expected value recommended by Department of Environment (DoE), Bangladesh. At 10 kGy absorbed dose, 59.0 % biological oxygen demand (BOD5) and 71.6 % chemical oxygen demand (COD) removal has been achieved, accelerating the enhancement in biodegradability index (BOD5/COD). Ammonium and total nitrogen have improved up to 87.0 % and 94.5 % after irradiation at 10 kGy doses. Subsequently, the treated textile wastewater samples were reused to grow Capsicum frutescens plants to inspect the fertility responses. When Capsicum plants were nourished by textile wastewater irradiated at 8-10 kGy, increased values were observed in the plant morphological parameters such as dry masses of the fruits (from 2.25 to 3.02 g), moisture content (from 91.35 to 92.62%), root length (from 13.21 to 16.56 cm), average plant height (from 2.42 to 4.07 cm/week), average number of leaves (from 14 to 16 nos./week), and total number of fruits (from 25 to 40 nos.) in comparison to those plants nourished by simply water and raw wastewater. The elemental analysis confirmed that negligible amounts of heavy metals were found in Capsicum fruits at higher absorbed doses. In contrast, helpful macro and micronutrients for plant production were raised to sufficient levels at 8-10 kGy, which can be the optimum doses for gamma irradiation to treat textile wastewater for maintaining sustainable water resources.

Controlling the Interfacial Charge Polarization of MOF-Derived 0D-2D vdW Architectures as a Unique Strategy for Bifunctional Oxygen Electrocatalysis.

The design of alternative earth-abundant van der Waals (vdW) nanoheterostructures for bifunctional oxygen evolution/reduction (OER/ORR) electrocatalysis is of paramount importance to fabricate energy-related devices. Herein, we report a simple metal-organic framework (MOF)-derived synthetic strategy to fabricate low-dimensional (LD) nanohybrids formed by zero-dimensional (0D) ZrO2 nanoparticles (NPs) and heteroatom-doped two-dimensional (2D) carbon nanostructures. The 2D platforms controlled the electronic structures of interfacial Zr atoms, thus producing optimized electron polarization for boron and nitrogen-doped carbon (BCN)/ZrO2 nanohybrids. X-ray photoelectron spectroscopy (XPS) and theoretical studies revealed the key role of the synergistic couple effect of boron (B) and nitrogen (N) in interfacial electronic polarization. The BCN/ZrO2 nanohybrid showed excellent bifunctional electrocatalytic activity, delivering an overpotential (η10) of 301 mV to reach a current density of 10 mA-cm-2 for the OER process and a half-wave potential (E1/2) of 0.85 V vs reversible hydrogen electrode (RHE) for the ORR process, which are comparable to the state-of-the-art LD nanohybrids. Furthermore, BCN/ZrO2 also showed competitive performances for water-splitting and zinc-air battery devices. This work establishes a new route to fabricate highly efficient multifunctional electrocatalysts by tuning the electronic polarization properties of 0D-2D electrochemical interfaces.

Theoretical and Experimental Insights into the Possible Interfacial Interactions between ß-Glucan and Fat Molecules in Aqueous Media.

Excessive body fat and high cholesterol are one of the leading reasons for triggering cardiovascular risk factors, obesity, and type 2 diabetes. Beta-glucan (BG)-based dietary fibers are found to be effective for lowering fat digestion in the gastrointestinal tract. However, the fat capturing mechanism of BG in aqueous medium is still elusive. In this report, we studied the dietary effect of barley-extracted BG on docosahexaenoic acid (DHA, a model fat molecule) uptake and the impact of the aqueous medium on their interactions using computational modeling and experimental parameters. The possible microscale and macroscale molecular interactions between BG and DHA in an aqueous medium were analyzed through density functional theory (DFT), Monte-Carlo (MC), and molecular dynamics (MD) simulations. DFT analysis revealed that the BG polymer extends hydrogen bonding and nonbonding interactions with DHA. Bulk simulation with multiple DHA molecules on a long-chain BG showed that a viscous colloidal system is formed upon increasing DHA loading. Experimental size and zeta potential measurements also confirmed the electrostatic interaction between BG-DHA systems. Furthermore, simulated and experimental diffusion and viscosity measurements showed excellent agreement. These simulated and experimental results revealed the mechanistic pathway of how BG fibers form colloidal systems with fat molecules, which is probably responsible for BG-induced delayed fat digestion and further halting of fatty molecule absorption in the GI tract.