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Nanotechnology Jul 2024Currently, 2D nanomaterials-based RRAMs are explored on account of their tunable material properties enabling fabrication of low power and flexible RRAM devices. In this...
Currently, 2D nanomaterials-based RRAMs are explored on account of their tunable material properties enabling fabrication of low power and flexible RRAM devices. In this work, hybrid MoS-GO based active layer RRAM devices are investigated. A facile hydrothermal co-synthesis approach is used to obtain the hybrid materials and a cost-effective spin coating method adopted for the fabrication of Ag/MoS-GO/ITO RRAM devices. The performance of the fabricated hybrid active layer RRAM device is analysed with respect to change in material properties of the synthesized hybrid material. The progressive addition of 0.5, 1.5, 2.5 and 4.5 weight % of GO to MoS, results in a hybrid active layer with higher intermolecular interaction, in the case of Ag/MoS-GO/ITO RRAM device, resulting in a unipolar resistive switching RRAM behavior with low SET voltage of 1.37 V and high I/Iof 200 with multilevel resistance states. A space charge limited conduction (SCLC) mechanism is obtained during switching, which may be attributed to the trap states present due to functional groups of GO. The increased number of conduction pathways on account of both Agions and oxygen vacancies (V), participating in the formation of conducting filament, results in higher I/I. This is the first report of unipolar Ag/MoS-GO/ITO RRAM devices, which are particularly important in realizing high density crossbar memories for neuromorphic and in-memory computing as well as enabling flexible 2D nanomaterials-based memristor applications.
PubMed: 38955133
DOI: 10.1088/1361-6528/ad5db6 -
Computers in Biology and Medicine Jul 2024This study delves into the therapeutic efficacy of A. pyrethrum in addressing vitiligo, a chronic inflammatory disorder known for inducing psychological distress and...
Inhibition of the Janus kinase protein (JAK1) by the A. Pyrethrum Root Extract for the treatment of Vitiligo pathology. Design, Molecular Docking, ADME-Tox, MD Simulation, and in-silico investigation.
This study delves into the therapeutic efficacy of A. pyrethrum in addressing vitiligo, a chronic inflammatory disorder known for inducing psychological distress and elevating susceptibility to autoimmune diseases. Notably, JAK inhibitors have emerged as promising candidates for treating immune dermatoses, including vitiligo. Our investigation primarily focuses on the anti-vitiligo potential of A. pyrethrum root extract, specifically targeting N-alkyl-amides, utilizing computational methodologies. Density Functional Theory (DFT) is deployed to meticulously scrutinize molecular properties, while comprehensive evaluations of ADME-Tox properties for each molecule contribute to a nuanced understanding of their therapeutic viability, showcasing remarkable drug-like characteristics. Molecular docking analysis probes ligand interactions with pivotal site JAK1, with all compounds demonstrating significant interactions; notably, molecule 6 exhibits the most interactions with crucial inhibition residues. Molecular dynamics simulations over 500ns further validate the importance and sustainability of these interactions observed in molecular docking, favoring energetically both molecules 6 and 1; however, in terms of stability, the complex with molecule 6 outperforms others. DFT analyses elucidate the distribution of electron-rich oxygen atoms and electron-poor regions within heteroatoms-linked hydrogens. Remarkably, N-alkyl-amides extracted from A. pyrethrum roots exhibit similar compositions, yielding comparable DFT and Electrostatic Potential (ESP) results with subtle distinctions. These findings underscore the considerable potential of A. pyrethrum root extracts as a natural remedy for vitiligo.
PubMed: 38955123
DOI: 10.1016/j.compbiomed.2024.108816 -
Spectrochimica Acta. Part A, Molecular... Jun 2024Fluorescent probes with preferred photophysical properties have attracted considerable attention for their advantages in real-time and accurate detection of signalling...
Fluorescent probes with preferred photophysical properties have attracted considerable attention for their advantages in real-time and accurate detection of signalling molecules in living organisms. Nitric oxide (NO) is a ubiquitous cellular messenger closely associated with many physiological and pathological processes. A NO fluorescent probe, PYSNO, based on the pyridazinone (PY) scaffold with o-phenylenediamine as the receptor and thiophene (S) as the linker has been synthesized. Inspired by the experimental guidance, three other dyes (PYSSNO, PYSONO and PYONO) were theoretically designed by replacing the S linker with thieno[3,2-b]thiophene (SS), thieno[3,2-b]thiophene 1,1-dioxide (SO) and thiophene 1,1-dioxide (O) groups. The photophysical properties were theoretically investigated in aqueous solution, by the combined time-dependent density functional theory, polarizable continuum model and thermal vibration correlation function approaches. Our results indicate that the emission wavelengths of all the designed dyes show red shifts due to either an increase in the conjugation length or electron-accepting ability of the linkers compared to PYSNO. The photoinduced electron transfer (PET) processes are all absent in these systems. PYSSNO and PYSONO are theoretically expected to be promising candidates for novel NO fluorescent probes, but the suitability of PYONO as a NO probe is compromised by the predicted non-luminescent emission before and after reaction with NO. Our study not only offers valuable insights into the detailed structure-property relationships, but also opens a new avenue for the rational design of efficient fluorescent sensors for NO detection.
PubMed: 38955069
DOI: 10.1016/j.saa.2024.124761 -
Bioelectrochemistry (Amsterdam,... Jun 2024The structure and surface physicochemical properties of anode play a crucial role in microbial fuel cells (MFCs). To enhance the enrichment of exoelectrogen and...
The structure and surface physicochemical properties of anode play a crucial role in microbial fuel cells (MFCs). To enhance the enrichment of exoelectrogen and facilitate extracellular electron transfer (EET), a three-dimensional macroporous graphene aerogel with polydopamine coating was successfully introduced to modify carbon brush (PGA/CB). The three-dimensional graphene aerogel (GA) with micrometer pores improved the space utilization efficiency of microorganisms. Polydopamine (PDA) coating enhanced the physicochemical properties of the electrode surface by introducing abundant functional groups and nitrogen-containing active sites. MFCs equipped with PGA/CB anodes (PGA/CB-MFCs) demonstrated superior power generation compared to GA/CB-MFCs and CB-MFCs (MFCs with GA/CB and CB anodes respectively), including a 23.0 % and 30.1 % reduction in start-up time, and an increase in maximum power density by 2.43 and 1.24 times respectively. The higher bioelectrochemical activity exhibited by the biofilm of PGA/CB anode and the promoted riboflavin secretion by PGA modification imply the enhanced EET efficiency. 16S rRNA high-throughput sequence analysis of the biofilms revealed successful enrichment of Geobacter on PGA/CB anodes. These findings not only validate the positive impact of the synergistic effects between GA and PDA in promoting EET and improving MFC performance but also provide valuable insights for electrode design in other bioelectrochemical systems.
PubMed: 38955054
DOI: 10.1016/j.bioelechem.2024.108769 -
Journal of Environmental Management Jul 2024In this study, the authors projected the impacts of clean energy investment on environmental degradation by applying a novel and dynamic Autoregressive Distributed Lag...
In this study, the authors projected the impacts of clean energy investment on environmental degradation by applying a novel and dynamic Autoregressive Distributed Lag (DARDL) model for Pakistan from 1990 to 2022. Most researchers have used ecological footprint or CO emissions indicators to look at how clean energy investment affects environmental degradation, which primarily represents contamination induced by humans' consumption patterns and does not consider the impact of the supply side. Against this background, the study scrutinized the dynamic interaction between clean energy investment and environmental sustainability using the load capacity factor (LCF) as an ecological indicator in Pakistan, including economic growth, population density, trade openness, urbanization, and industrialization in the analysis. The long-run estimates from DARDL indicate that a 1 percent upsurge in clean energy investment mitigates environmental degradation by approximately 0.42 percent on average, controlling for other factors. Further, the study also revealed that a 1 percent increase in clean energy investment diminishes dirty energy consumption by approximately 0.45 percent. The validity of the findings is confirmed using alternate methods, i.e., KRLS. The study recommends that Pakistan prioritize investment in clean energy projects to promote environmental sustainability and enforce environmental regulations to reduce the adverse externalities associated with dirty energy activities.
PubMed: 38955042
DOI: 10.1016/j.jenvman.2024.121549 -
Journal of Environmental Management Jul 2024Exploring the mismatch between supply and demand (SD) for carbon sequestration services (CSS) is essential for achieving the "double carbon" goal. However, more studies...
Exploring the mismatch between supply and demand (SD) for carbon sequestration services (CSS) is essential for achieving the "double carbon" goal. However, more studies are needed on the traits of the spatial mismatch between SD in mountainous cities. We used the CASA model and the IPCC emission factor approach to address this issue and quantify the SD of CSS in Chongqing. Second, we established a matching relationship model for the SD of CSS in Chongqing. Finally, we applied the Structural Equation Model with the Partial Dependence Plots model to reveal the influencing factors and internal mechanisms of spatial mismatch between the SD of CSS in Chongqing. The outcomes confirmed a decrease in fashion in the total supply of CSS in Chongqing and growth in fashion in general demand from 2000 to 2020. The SD mismatch was mainly concentrated inside the central city and other built-up areas. The SD mismatch area had increased by 390%, indicating a continuous upward trend. In exploring the factors influencing the mismatch between the SD of CSS in Chongqing, supply is mainly positively influenced by NDVI, and demand and supply-demand relationships are influenced by population density and LUCC. We proposed policy suggestions to alleviate the spatial mismatch and practical significance for achieving the "double carbon" goal and promoting sustainable development.
PubMed: 38955039
DOI: 10.1016/j.jenvman.2024.121636 -
International Journal of Food... Jun 2024Salmonella contamination of pork products is a significant public health concern. Temperature abuse scenarios, such as inadequate refrigeration or prolonged exposure to...
Salmonella contamination of pork products is a significant public health concern. Temperature abuse scenarios, such as inadequate refrigeration or prolonged exposure to room temperature, can enhance Salmonella proliferation. This study aimed to develop and validate models for Salmonella growth considering competition with background microbiota in raw ground pork, under isothermal and dynamic conditions of temperature abuse between 10 and 40 °C. The maximum specific growth rate (μ) and maximum population density (MPD) were estimated to quantitatively describe the growth behavior of Salmonella. To reflect more realistic microbial interactions in Salmonella-contaminated product, our model considered competition with the background microbiota, measured as mesophilic aerobic plate counts (APC). Notably, the μ of Salmonella in low-fat samples (∼5 %) was significantly higher (p < 0.05) than that in high-fat samples (∼25 %) at 10, 20, and 30 °C. The average doubling time of Salmonella was 26, 4, 2, 1.5, 0.8, and 1.1 h at 10, 15, 20, 25, 30, and 40 °C, respectively. The initial concentration of Salmonella minimally impacted its growth in ground pork at any temperature. The MPD of APC consistently exceeded that of Salmonella, indicating the growth of APC without competition from Salmonella. The competition model exhibited excellent fit with the experimental data, as 95 % (627/660) of residual errors fell within the desired acceptable prediction zone (pAPZ >0.70). The theoretical minimum and optimum growth temperatures for Salmonella ranged from 5 to 6 °C and 35 to 36 °C, respectively. The dynamic model displayed strong predictive performance, with 90 % (57/63) of residual errors falling within the APZ. Dynamic models could be valuable tools for validating and refining simpler static or isothermal models, ultimately improving their predictive capabilities to enhance food safety.
PubMed: 38955022
DOI: 10.1016/j.ijfoodmicro.2024.110808 -
Journal of Colloid and Interface Science Jun 2024Silver (Ag) recovery is essential for ecological protection, human health and economic benefits. Effective capture of Ag(I) from wastewater is still challenging due to...
Silver (Ag) recovery is essential for ecological protection, human health and economic benefits. Effective capture of Ag(I) from wastewater is still challenging due to insufficient accessible sites of adsorbents. Herein, an acyl chloride-mediated strategy is developed to synthesize rhodanine (Rd) modified UiO-66 derivatives for Ag(I) adsorption. Benefitting from the high grafting density of Rd, the optimal Rd-modified UiO-66-NH (UiO-66-NH@20Rd) features an ultra-high uptake capacity (maximum capacity of 923.9 mg·g) and selectivity (maximum selectivity coefficient of 1665.52) for Ag(I). Almost 90 % of Ag(I) could be captured in one minute over UiO-66-NH@20Rd and maintained a removal rate of 98.9 % even after six cycles. Moreover, a fixed-bed column test demonstrates that approximately 21,780 bed volumes of Ag(I) simulated wastewater can be effectively treated, indicating great promise for practical application. Mechanism investigation illustrates that outstanding performance can be attributed to the synergistic effect of Ag(I) adsorption and reduction on dense rhodanine sites. This study highlights that such a general strategy can provide a valuable avenue toward various functional adsorption materials.
PubMed: 38955019
DOI: 10.1016/j.jcis.2024.06.199 -
Journal of Colloid and Interface Science Jun 2024Lithium-selenium (Li-Se) batteries are considered promising alternatives to lithium-ion batteries due to their higher volumetric capacity and energy density. However,...
Lithium-selenium (Li-Se) batteries are considered promising alternatives to lithium-ion batteries due to their higher volumetric capacity and energy density. However, they still face limitations in efficiently utilizing the active selenium. Here, we develop surface-functionalized mesoporous hollow carbon nanospheres as the selenium host. By using KOH activation, the surface of the carbon nanospheres is functionalized with hydroxyl groups, which greatly improve the utilization of selenium and facilitate the conversion of lithium selenides, leading to much higher capacities compared to ZnCl activation and untreated carbon nanospheres. Theory and experimental evidence suggest that surface hydroxyl groups can enhance the reduction conversion of polyselenides to selenides and facilitate the oxidation reaction of selenides to elemental selenium. In-situ and ex-situ characterization techniques provided additional confirmation of the hydroxyl groups electrochemical durability in catalyzing selenium conversion. The meticulously engineered Se cathode demonstrates a high specific capacity of 594 mA h g at 0.5C, excellent rate capability of 464 mA h g at 2C, and a stable cycling performance of 500 cycles at 2C with a capacity retention of 84.8 %, corresponding to an ultra-low-capacity decay rate of 0.0144 % per cycle, surpassing many reported lithium-selenium battery technologies.
PubMed: 38955016
DOI: 10.1016/j.jcis.2024.06.212 -
Journal of Colloid and Interface Science Jun 2024Designing and developing suitable oxygen evolution reaction (OER) catalysts with high activity and stability remain challenging in electrolytic water splitting. Hence,...
Designing and developing suitable oxygen evolution reaction (OER) catalysts with high activity and stability remain challenging in electrolytic water splitting. Hence, NiFe@NC@MoS core-bishell composites wrapped by molybdenum disulphide (MoS) and nitrogen-doped graphene (NC) were prepared using hydrothermal synthesis in this research. NiFe@NC@MoS composite exhibits excellent performance with an overpotential of 288 mV and a Tafel slope of 53.2 mV·dec at a current density of 10 mA·cm in 1 M KOH solution, which is superior to commercial RuO. NC and MoS bishells create profuse edge active sites that enhance the adsorption ability of OOH* while lowering the overall overpotential of the product and improving its oxygen precipitation performance. The density function theory(DFT) analysis confirms that the layered MoS in NiFe@NC@MoS provides additional edge active sites and enhances electron transfer, thus increasing the intrinsic catalytic activity. This research paves a novel way for developing OER electrocatalysts with excellent catalytic performance.
PubMed: 38955013
DOI: 10.1016/j.jcis.2024.06.194