Potential Profile Research Articles

Electronic Barriers Behavioral Analysis of a Schottky Diode Structure Featuring Two-Dimensional MoS2

This research presents a comprehensive study of a Schottky diode fabricated using a gold wafer and a bilayer molybdenum disulfide (MoS2) film. Through detailed simulations, we investigated the electric field distribution, potential profile, carrier concentration, and current–voltage characteristics of the device. Our findings confirm the successful formation of a Schottky barrier at the Au/MoS2 interface, characterized by a distinct nonlinear I–V relationship. Comparative analysis revealed that the Au/MoS2 diode significantly outperforms a traditional W/Si structure in terms of rectification performance. The Au/MoS2 diode exhibited a current density of 1.84 × 10−9 A/cm2, substantially lower than the 3.62 × 10−5 A/cm2 in the W/Si diode. Furthermore, the simulated I–V curves of the Au/MoS2 diode closely resembled the ideal diode curve, with a Pearson correlation coefficient of approximately 0.9991, indicating an ideality factor near 1. A key factor contributing to the superior rectification performance of the Au/MoS2 diode is its higher Schottky barrier height of 0.9 eV compared to the 0.67 eV of W/Si. This increased barrier height is evident in the band diagram analysis, which further elucidates the underlying physics of Schottky barrier formation in the Au/MoS2 junction. This research provides insights into the electronic properties of Schottky contacts based on two-dimensional MoS2, particularly the relationship between electronic barriers, system dimensions, and current flow. The demonstration of high-ideality-factor Au/MoS2 diodes contributes to the design and optimization of future electronic and optoelectronic devices based on 2D materials. These findings have implications for advancements in semiconductor technology, potentially enabling the development of smaller, more efficient, and flexible devices.

Identification of high-affinity Monoamine oxidase B inhibitors for depression and Parkinson's disease treatment: bioinformatic approach of drug repurposing.

Depression and Parkinson's disease (PD) are devastating psychiatric and neurological disorders that require the development of novel therapeutic interventions. Drug repurposing targeting predefined pharmacological targets is a widely use approach in modern drug discovery. Monoamine oxidase B (MAO-B) is a critical protein implicated in Depression and PD. In this study, we undertook a systematic exploration of repurposed drugs as potential inhibitors of MAO-B. Exploring a library of 3,648 commercially available drug molecules, we conducted virtual screening using a molecular docking approach to target the MAO-B binding pocket. Two promising drug molecules, Brexpiprazole and Trifluperidol, were identified based on their exceptional binding potential and drug profiling. Subsequently, all-atom molecular dynamics (MD) simulations were performed on the MAO-B-ligand complexes for a trajectory of 300 nanoseconds (ns). Simulation results demonstrated that the binding of Brexpiprazole and Trifluperidol induced only minor structural alterations in MAO-B and showed significant stabilization throughout the simulation trajectory. Overall, the finding suggests that Brexpiprazole and Trifluperidol exhibit strong potential as repurposed inhibitors of MAO-B that might be explored further in experimental investigations for the development of targeted therapies for depression and PD.

Computational Studies in Dermo-cosmetics: In silico Discovery of Therapeutic Agents Targeting a Variety of Proteins for Skin Diseases.

Healthy skin is essential for balanced health. Currently, skin diseases are considered a major global health issue, impacting individuals of all ages. Skin conditions can vary broadly, ranging from common issues like acne and eczema to more serious diseases such as psoriasis, melanoma, and other types of skin cancer. In recent years, computational methods have appeared as powerful tools for explaining the lurking mechanisms of skin diseases and the advancement of the discovery regarding updated therapeutics. This review spotlights the notable researches that have been performed in using computational approaches such as virtual screening, molecular modelling, and molecular dynamics simulations to discover potential treatments for dermatological conditions such as eczema, psoriasis, acne vulgaris, skin cancer, and tyrosinase-related disorders. Moreover, using in silico methods, researchers have explored the molecular interactions between cosmetic actives and skin targets, providing insights into the binding affinities, stability, and efficacy of these compounds. This computational exploration allows the identification of potential off-target effects and toxicity profiles, ensuring that only the most promising candidates proceed to clinical testing. In addition, the use of molecular dynamics simulations helps to understand conformational changes and interaction dynamics over time, further refining the selection of effective cosmetic actives. Overall, the integration of computational chemistry into dermo-cosmetic research has immense potential to accelerate the discovery and development of innovative treatments to improve skin health and address dermatological concerns.

Pathogenicity of psychrotolerant strains of Antarctic Pseudogmynoascus fungi reveals potential opportunistic profiles

Recent studies have demonstrated the presence of fungal taxa in the extreme ecosystems of Antarctica that are known to opportunistically infect humans and animals. Among these are members of the genus Pseudogymnoascus, including some that are genetically similar to P. destructans, known to be pathogenic to bats. We evaluated the in vitro and in vivo pathogenic potential of 11 Pseudogymnoascus spp. strains recovered from Antarctica. All strains were able to grow at temperatures up to 28 °C and displayed in vitro pathogenicity through hemolytic activity, growth at different pH levels, production of hydrolytic enzymes, spore diameters, tolerance to oxidative stress, hypoxia, and halotolerance. Among them, Pseudogymnoascus sp. UFMG 8532 exhibited strong in vitro pathogenicity and in preliminary in vivo assay killed 100 % of Tenebrio molitor larvae within one day. The pathogenicity of the same strain was also tested using immunosuppressed BALB/c mouse models. Survival of BALB/c mice was affected, with oscillations between weight gain and loss, and impacts on sensory function, reflexes and autonomic function. Histopathological data from the organs of infected mice showed evidence of inflammatory processes, with numerous neutrophils, a small number of macrophages, fluid accumulation inside the lungs and intense hyperemia. Our results indicate that Antarctic Pseudogymnoascus spp. strains obtained from various substrates/habitats in maritime Antarctica may possess intrinsic virulence factors and pathogenic potential for immunosuppressed animals and humans in the region. Given that the Antarctic environment is an important reservoir for Pseudogymnoascus species, which display growth performance across a range of temperatures, it is possible that increasing temperatures in the maritime Antarctic could activate dormant genes or biochemical pathways, select virulent species and/or strains, and facilitate their spread within and beyond the region. The ability of Pseudogymnoascus species to grow slowly even at 28°C, coupled with their potential in vitro and in vivo virulence factors, suggests that these fungi might be undergoing an opportunistic transition due to the effects of climate change on the Antarctic Peninsula.

Eager or passive? Decoding potential consumer profiles based on knowledge and perceptions regarding organic food products

Organic food-choice behaviour has gained paramount interest from researchers and marketers due to the growing inclination of consumers towards healthy and sustainable lifestyles. With regard to India, despite being a leading producer and exporter of organic products, its domestic market is still in nascent stages of evolution. To overcome the underlying attitude-intention-behaviour gap in such emerging markets, it is imperative to identify targetable segments based on factors that are relevant to these markets. The present study makes a novel attempt at segmenting potential organic consumers based on their knowledge and perceptions regarding organic products. Robust analytical procedures, including a two-stage cluster analysis and multiple discriminant analysis, were employed to draw consumer profiles based on a sample of 608 Indian consumers. The analysis resulted in four mutually exclusive segments, which exhibited significant heterogeneity with respect to various clustering and profiling variables, namely actual and perceived knowledge regarding organic products, price and availability perceptions, trust in organic products, and purchase intention. The aware enthusiasts displayed high knowledge, while both the aware and unaware enthusiasts exhibited favourable organic perceptions and high purchase intention and behaviour. The sceptics had positive perceptions but displayed a lack of trust in organic sellers and regulatory frameworks. The laggards exhibited the least favourable perceptions and had the lowest intention and purchase behaviour. The study identifies potential target segments of organic consumers and throws light on how consumers construe organic food products. Furthermore, marketing strategies are recommended to tap these segments, considering the core characteristics specific to each segment.

Investigation of ferro-resistive switching mechanisms in TiN/Hf0.5Zr0.5O2/WOx/W ferroelectric tunnel junctions with the interface layer effect

This study presents an in-depth analysis of ferro-resistive switching (FRS) behaviors in a TiN/Hf0.5Zr0.5O2(HZO)/WOx/W ferroelectric tunnel junction (FTJ) device, with a particular focus on the role of the tungsten oxide (WOx) interface layer (IL). Structural examinations confirm the presence of the WOx IL, which significantly influences the FRS properties of the device. Electrical measurements indicate the devices exhibit stable and reproducible FRS characteristics with an ON/OFF ratio of 9.7, predominantly attributed to the tunneling electro-resistance (TER) effect driven by the ferroelectric polarization. Comprehensive numerical simulations, incorporating the nucleation-limited switching model and Simmons tunneling mechanism, provide detailed insights into how the WOx IL and the trapped charges at the HZO/WOx interface affect polarization switching mechanisms and the electronic potential barrier profile. These findings underscore the importance of interface effects in HfO2-based FTJs and advance the understanding of the TER mechanism in multilayer ferroelectric systems.

Evaluation of a practical approach for field scale moisture flow modeling in heterogeneous media at a semiarid site

AbstractA practical approach for modeling field‐scale moisture flow in a highly heterogeneous unsaturated medium is described in this study. The validity of this approach is demonstrated through comparison of the numerical simulations with field observations at a semiarid site located in southcentral Washington State. The methodology is based on upscaling the core scale hydraulic properties and combining power‐law and tensorial connectivity‐tortuosity (PA‐TCT) approaches to derive macroscopic anisotropy parameters for each hydrostratigraphic unit (HSU) identified in the field. Each heterogeneous HSU is approximated by an equivalent homogeneous medium (EHM) model for which PA‐TCT parameters are used in the flow simulations. The available field data on moisture content and matric potential are compared with steady‐state flow simulations based on the mean form of Richards' equation. While the homogenization or averaging of heterogeneities, embedded in the EHM modeling approximation, cannot capture all of the field‐scale variability, the simulated steady‐state moisture and matric potential profiles capture well the central tendency of the field data. This approach is deemed practical for assessing the fate and transport of contaminants in highly heterogeneous unsaturated media at the transport scale of hundreds of meters.

Non-clinical safety evaluation of Yongdamsagan-tang water extract: A 13-week subchronic oral toxicity study in Sprague Dawley rats.

Despite the continued clinical application of traditional herbal medicines, scientific evidence such as toxicological safety profile of Yongdamsagan-tang water extract (YSTW) has not yet been established. The purpose of this study was to investigate the potential toxicity profile of YSTW following a 13-week repeated oral administration at various concentrations to Sprague Dawley rats. YSTW was administered orally to rats once daily at doses of 0, 1000, 2000, and 5000 mg/kg bw/day for 13 weeks. During the experimental period, there were no significant toxicological changes related to YSTW treatment. These results indicate that the administration of YSTW for 13 weeks in the rat resulted in no signs of toxicity at up to 5000 mg/kg bw/day, which was considered the no-observed-adverse-effect level.

Management of dermatosis papulosa nigra: a systematic review.

Dermatosis papulosa nigra (DPN) is a variant of seborrheic keratosis that typically presents as hyperpigmented pedunculated papules on the face, trunk, and/or back in those with skin of color. Although benign, the lesions can cause significant discomfort and distress. Management options are limited and often unaffordable, as treatment is elective in most cases. This study was undertaken to provide an updated summary of safe and efficacious treatments for DPN. Five databases were searched to identify full-text publications reporting on treatments and outcomes in adults with DPN. Seventeen publications met inclusion criteria and were included: six cohort studies, one randomized controlled trial, five case report studies, one case series, and four pilot studies. Treatment options included simple excision, curettage, electrodesiccation, cryotherapy, topicals, and laser therapies. These modalities varied in their documented outcomes and associated potential adverse effect profiles. Postinflammatory hyperpigmentation is a common adverse effect that often leads to patient dissatisfaction. It can be mitigated with topical treatments aimed at reducing local inflammation. Study limitations included small sample size in individual studies, lack of consistent reporting of Fitzpatrick skin type, and lack of comparison to the standard treatment of electrodesiccation or curettage. Ultimately, treatment should consider the patient's Fitzpatrick type, treatment area, associated costs, and potential adverse effects.

Synthesis of a highly programmable multistable Kresling origami-inspired unit cell

Multistable origami structures have been exploited for mechanical property tailoring, deployable robotic arms, wave propagation tuning and others, due to its ability to possess multiple stable states with distinct properties. Traditionally these structures are made by assembling bistable unit cells, which results in a significant increase in the size and weight of the system when larger number of stable states are required. Recently, researchers have uncovered a third stable state in the Kresling origami pattern. Although this is an advancement over the bistable unit cell, there is an unexplored opportunity for more systematically expanding the design space of Kresling unit cells to possess many more stable configurations (>>2) and enhance its programmable multistability. In this research, we seek to develop a methodology for the design of a Kresling origami-inspired unit cell that can be easily programmed to achieve up to 10 stable configurations, with the potential to achieve even more. We exploit the rich kinematics of the Kresling origami-inspired unit cell, that arise from its coupled translational and rotational deployment, and propose the strategic integration of tensile elements to realize multiple stable states. Analytically, we study the unstretched length values (defined to be the precise length between the string “slacked” and “tensioned” configurations) of the strings that yield the distinct number of stable states. We present the potential energy profiles with its corresponding force-displacement plots for the bistable, tristable, quadstable, pentastable and decastable unit cells. Moreover, we show that by simply adjusting the unstretched length of the strings we can program and tune the number of stable states of the unit cell. Tristable and pentastable unit cell prototypes are designed and experimentally tested to validate the proposed methodology. Lastly, a study is performed on the mechanical property tailoring capabilities of two unit cells assembled in series. The results show that the decastable unit cell assembly can achieve up to 55 discrete values of equivalent stiffness, while the bistable one can only achieve 3. For the bistable unit cell assembly to match this number, it will require 54 unit cells in series, which will significantly increase the size and weight of the structural system. These findings show that the modular structure will have more programmable capabilities, while maintaining its size and weight at a minimum, as the number of stable states per unit cell is increased.

Mapping, Distribution, Function, and High-Throughput Methodological Strategies for Soil Microbial Communities in the Agroecosystem in the Last Decades

The intricate interplay between SMCs and agroecosystems has garnered substantial attention in recent decades due to its profound implications for agricultural productivity, ecosystem sustainability, and environmental health. Understanding the distribution of SMCs is complemented by investigations into their functional roles within agroecosystems. Soil microbes play pivotal roles in nutrient cycling, organic matter decomposition, disease suppression, and plant‒microbe interactions, profoundly influencing soil fertility, crop productivity, and ecosystem resilience. Elucidating the functional diversity and metabolic potential of SMCs is crucial for designing sustainable agricultural practices that harness the beneficial functions of soil microbes while minimizing detrimental impacts on ecosystem services. Various molecular techniques, such as next-generation sequencing and high-throughput sequencing, have facilitated the elucidation of microbial community structures and dynamics at different spatial scales. These efforts have revealed the influence of factors such as soil type, land management practices, climate, and land use change on microbial community composition and diversity. Advances in high-throughput methodological strategies have revolutionized our ability to characterize SMCs comprehensively and efficiently. These include amplicon sequencing, metagenomics, metatranscriptomics, and metaproteomics, which provide insights into microbial taxonomic composition, functional potential, gene expression, and protein profiles. The integration of multiomics approaches allows for a more holistic understanding of the complex interactions within SMCs and their responses to environmental perturbations. In conclusion, this review highlights the significant progress made in mapping, understanding the distribution, elucidating the functions, and employing high-throughput methodological strategies to study SMCs in agroecosystems.

Co-spray drying whey protein isolate with polysaccharides provides additional lubrication impacting the sensory profile of model beverages

For older adults, whey protein is associated with negative sensory attributes, including undesirable mouthfeel qualities, that limit consumption and acceptance. Previous work suggests that increased lubrication may have the ability to reduce whey protein-associated mouthdrying, a driver for disliking, by limiting interactions of whey protein with salivary proteins and mucin. This was investigated in the current study by co-spray drying whey protein with combinations of maltodextrin, xanthan gum and/or guar gum; the resulting powders were used to make 10% suspensions. The particle size, zeta potential, rheological and tribological profiles of these suspensions were measured. It was shown that co-spray drying whey protein with guar gum led to a reduction in instrumental friction, irrespective of changes in viscosity. These samples were perceived as significantly more mouthcoating and smooth when assessed by a trained sensory panel. Contrastingly, suspensions containing xanthan gum showed increased viscosity and enhanced shear thinning compared with whey protein, but no change in instrumental friction at higher sliding speeds. This may be a result of a larger particle size, representing increased aggregation in samples containing xanthan gum. There was no significant difference in mouthdrying or slipperiness perception between the suspensions. These findings suggest that the incorporation of guar gum has the capacity to reduce oral friction and impact mouthfeel in whey protein model beverages. This should be taken forward into temporal sensory trials to further investigate the effects of additional lubrication.

Recent advances in acupuncture for pain relief.

Acupuncture therapy has achieved global expansion and shown promise for health promotion and treatment of acute/chronic pain. To present an update on the existing evidence base for research and clinical practice supporting acupuncture analgesia. This Clinical Update elaborates on the 2023 International Association for the Study of Pain Global Year for Integrative Pain Care "Factsheet Acupuncture for Pain Relief" and reviews best evidence and practice. Acupuncture is supported by a large research evidence base and growing utilization. Mechanisms of acupuncture analgesia include local physiological response at the needling site, suppression of nociceptive signaling at spinal and supraspinal levels, and peripheral/central release of endogenous opioids and other biochemical mediators. Acupuncture also produces pain relief by modulating specific brain networks, integral for sensory, affective, and cognitive processing, as demonstrated by neuroimaging research. Importantly, acupuncture does not just manage pain symptoms but may target the sources that drive pain, such as inflammation, partially by modulating autonomic pathways. Contextual factors are important for acupuncture analgesia, which is a complex multifaceted intervention. In clinical practice, historical records and many providers believe that acupuncture efficacy depends on specific acupoints used, the technique of needle placement and stimulation, and the person who delivers the procedure. Clinical research has supported the safety and effectiveness of acupuncture for various pain disorders, including acupuncture as a complementary/integrative therapy with other pain interventions. Although the quality of supportive evidence is heterogeneous, acupuncture's potential cost-effectiveness and low risk profile under standardized techniques suggest consideration as a neuromodulatory and practical nonpharmacological pain therapy.

RUTHENIUM ORGANOMETALLIC COMPOUNDS IN CANCER TREATMENT

Organometallic complexes with ruthenium have shown promise as potential anticancer agents. These complexes represent a class of compounds that can exhibit unique mechanisms of action, and they may offer advantages or overcome some limitations associated with platinum-based drugs, such as cisplatin. Ruthenium-based complexes can have diverse mechanisms of action. They may interact with DNA, proteins, or other cellular components, leading to cytotoxic effects on cancer cells. The versatility of ruthenium coordination chemistry allows for the design of complexes with specific properties. Some cancers that become resistant to platinum-based drugs may still respond to ruthenium-based compounds. This reduced cross-resistance is attributed to differences in the mechanisms of action between platinum and ruthenium complexes. Researchers can design ruthenium complexes to target specific cellular pathways or processes associated with cancer. This targeted approach aims to enhance the selectivity of the treatment for cancer cells while minimizing the impact on normal cells. Ruthenium complexes often have unique structural features that contribute to their stability and reactivity. These features can be tailored to optimize the pharmacological properties of the compounds. Ruthenium-based complexes may be explored in combination with other anticancer agents to achieve synergistic effects and enhance overall treatment efficacy. Ongoing research continues to explore the potential of ruthenium-based organometallic complexes, and preclinical studies have demonstrated promising results. As with any emerging field, further investigations and clinical trials are needed to fully understand the therapeutic potential and safety profiles of these compounds for various types of cancers.

Evaluating Therapeutic Potential and Safety Profile of Desidustat for Anaemia Management in Patients with CKD: A Prospective, Open-Label, Single-Centre Study

Evaluating Therapeutic Potential and Safety Profile of Desidustat for Anaemia Management in Patients with CKD: A Prospective, Open-Label, Single-Centre Study

Ionic buffer layer design for stabilizing Zn electrodes in aqueous Zn-based batteries

Aqueous Zn-based batteries (AZBs) are hindered by issues associated with the Zn electrodeposition process (ZEDP) on electrode surfaces, including passivation, dendrite formation, and hydrogen evolution. One of the important reasons is the drastic fluctuation in the concentration of Zn2+ ions on the electrode surface during the charging and discharging process. In this work, an electrolyte with Zn2+ ion buffer layer (EZIBL) is proposed to regulate the ZEDP. First, numerical simulations and corresponding experiments are conducted to assess the impact of different thicknesses of the Zn2+ ion buffer layer (ZIBL) on the variation in Zn2+ ion concentration, from which the optimal thickness of the ZIBL is determined. Then, the regulation role of EZIBL in the cycling process is demonstrated by a Zn-Cu half cell. Further, combined with the potential profile of the symmetric cell and the experimental phenomena, the regulation role of EZIBL in ZEDP is systematically explained at the mechanistic level through the analysis of key parameters. Finally, a full battery composed of Zn-LiMn2O4 is assembled to evaluate the practical applicability of the EZIBL in real battery cycles, which shows great enhancement in capacity retention and Coulombic efficiency. This work proposes the design of the EZIBL used to regulate the ZEDP and provides a simple, low-cost regulation method for the development of high-performance AZBs.

On the Potential Profile of Ultrathin (Tunneling Transparent) Insulating Layers

On the Potential Profile of Ultrathin (Tunneling Transparent) Insulating Layers

Stability of supported Pd-based ethanol oxidation reaction electrocatalysts in alkaline media

This study evaluates the dissolution of the supported electrocatalysts Pd/C, PdSn/C, PdNb/C, and PdFe3O4/C during ethanol oxidation reaction for Alkaline Direct Liquid Fuel Cells (ADLFC) applications. A scanning flow cell (SFC) combined to an inductively coupled plasma mass spectrometry (online ICP-MS) is used to assess the dissolution stability in a broad potential window. Accelerated stress tests with and without ethanol are developed using a rotating disk electrode (RDE) with dissolution products analysis by ex-situ ICP-MS. Potential profiles simulating those experienced by the catalyst during regular fuel cell operation were used. Sn and Fe catalysts demonstrate improved activity and stability compared with the material with Pd alone. For these reasons, PdSn/C and PdFe3O4/C are suitable for ADLFC applications. Severe Nb dissolution destabilizes Pd, increasing its leaching. This work demonstrates that while additional metals and oxides can improve the alcohol oxidation kinetics of Pd, these additives’ dissolution stability must already be considered at the catalyst design stage.

On AdS3/ICFT2 with a dynamical scalar field located on the brane

We exploit the holographic duality to study the system of a one-dimensional interface contacting two semi-infinite two-dimensional CFTs. Central to our investigation is the introduction of a dynamical scalar field located on the bulk interface brane which breaks the scaling symmetry of the dual interface field theory, along with its consequential backreaction on the system. We define an interface entropy from holographic entanglement entropy, to construct a g-function. At zero temperature we construct several illustrative examples and consistently observe that the g-theorem is always satisfied. These examples also reveal distinct features of the interface entropy that are intricately linked to the scalar potential profiles. At finite temperature we find that the dynamical scalar field enables the bulk theory to have new configurations which would be infeasible solely with a tension term on the interface brane.

Synthesis and in vitro evaluation of tetrazole containing 1,5-benzothiazepines as new anticancer, antitubercular, antibacterial, and antifungal agents

Heterocyclic scaffolds have attracted great attention of organic chemists and medicinal chemists, also because of their wide range of synthetic applicability and broad spectrum of biological profile. Therefore, in the present research work, a series of tetrazole containing 1,5-benzothiazepines have been synthesized for evaluation of their biological activities to determine the potential therapeutic profile of these compounds across various medicinal domains. Of the synthesized compounds, five compounds (6f, 8e, 8f, 8g, and 8h) have been screened for anticancer, antitubercular, antibacterial, and antifungal activities. After evaluation of these biological activities, it was found that these compounds possess very limited anticancer activity, moderate antibacterial and antifungal activity, and very strong antitubercular activity, which indicate their great pharmacological applications as subjects for future investigations of novel therapeutic agents for the treatment of tuberculosis.