High Activity Research Articles

Improving Agar Degradation Activity of Vibrio natriegens WPAGA4 via Atmospheric and Room Temperature Plasma (ARTP)

Agar oligosaccharides from the degradation of agar harbor great potential in the food and pharmaceutical industries. An agar-degrading bacterium, Vibrio natriegens WPAGA4, was isolated from the deep sea in our previous work. However, the agar-degrading activity of WPAGA4 remains to be improved for more production benefits of this strain. The aim of this study was to enhance the agar-degrading activity of WPAGA4 by using atmospheric and room temperature plasma (ARTP) mutagenesis. Three mutant strains, including T1, T2, and T3, with good genetic stability were obtained, and the agar-degrading activities of these strains increased by 136%, 141%, and 135%, respectively. The optimal temperature and pH for agar degradation were slightly changed in the mutant strains. No sequence mutation was detected in all the agarase genes of WPAGA4, including agaW3418, agaW3419, agaW3420, and agaW3472. However, ARPT mutagenesis increased the relative expression levels of agaW3418, agaW3419, and agaW3420 in the mutant strains, which could be the reason for the improvement of degradation activities in the mutant strains. Furthermore, T3 had the lowest consumption rate of agar oligosaccharide, which was 21% less than the wild-type strain. Therefore, T3 possessed a preferable production value due to its higher degrading activity and lower consumption of agar oligosaccharides. The current work enhanced the agar-degrading activity of WPAGA4 and offered strains with greater potential for agar oligosaccharide production, thereby laying the foundation for industrial applications.

Childhood obesity's impact on cognition and brain connectivity worsens with low family income.

Childhood obesity and its adverse health consequences have risen worldwide, with low socioeconomic status increasing the risk in high-income countries like the US. Understanding the interplay between childhood obesity, cognition, socioeconomic factors, and the brain is crucial for prevention and treatment. Using data from the ABCD study, we investigated how body mass index (BMI) relates to brain structural and functional connectivity metrics. Obese/overweight children (n = 2,356) were more likely to live in poverty and exhibited lower cognitive performance compared to normal weight children (n = 4,754). Higher BMI was associated with multiple brain measures that were strongest for lower longitudinal diffusivity in corpus callosum, increased activity in cerebellum, insula, and somatomotor cortex, and decreased functional connectivity in multimodal brain areas, with effects more pronounced among children from low-income families. Notably, nearly 80% of the association of low income and 70% of the association of impaired cognition on BMI were mediated by higher brain activity in somatomotor areas. Increased resting activity in somatomotor areas and decreased structural and functional connectivity likely contribute to the higher risk of overweight/obesity among children from low-income families. Supporting low-income families and implementing educational interventions to improve cognition may promote healthy brain function and reduce the risk of obesity.

Childhood obesity's impact on cognition and brain connectivity worsens with low family income.

Childhood obesity and its adverse health consequences have risen worldwide, with low socioeconomic status increasing the risk in high-income countries like the US. Understanding the interplay between childhood obesity, cognition, socioeconomic factors, and the brain is crucial for prevention and treatment. Using data from the ABCD study, we investigated how body mass index (BMI) relates to brain structural and functional connectivity metrics. Obese/overweight children (n = 2,356) were more likely to live in poverty and exhibited lower cognitive performance compared to normal weight children (n = 4,754). Higher BMI was associated with multiple brain measures that were strongest for lower longitudinal diffusivity in corpus callosum, increased activity in cerebellum, insula, and somatomotor cortex, and decreased functional connectivity in multimodal brain areas, with effects more pronounced among children from low-income families. Notably, nearly 80% of the association of low income and 70% of the association of impaired cognition on BMI were mediated by higher brain activity in somatomotor areas. Increased resting activity in somatomotor areas and decreased structural and functional connectivity likely contribute to the higher risk of overweight/obesity among children from low-income families. Supporting low-income families and implementing educational interventions to improve cognition may promote healthy brain function and reduce the risk of obesity.

Improving Agar Degradation Activity of Vibrio natriegens WPAGA4 via Atmospheric and Room Temperature Plasma (ARTP)

Agar oligosaccharides from the degradation of agar harbor great potential in the food and pharmaceutical industries. An agar-degrading bacterium, Vibrio natriegens WPAGA4, was isolated from the deep sea in our previous work. However, the agar-degrading activity of WPAGA4 remains to be improved for more production benefits of this strain. The aim of this study was to enhance the agar-degrading activity of WPAGA4 by using atmospheric and room temperature plasma (ARTP) mutagenesis. Three mutant strains, including T1, T2, and T3, with good genetic stability were obtained, and the agar-degrading activities of these strains increased by 136%, 141%, and 135%, respectively. The optimal temperature and pH for agar degradation were slightly changed in the mutant strains. No sequence mutation was detected in all the agarase genes of WPAGA4, including agaW3418, agaW3419, agaW3420, and agaW3472. However, ARPT mutagenesis increased the relative expression levels of agaW3418, agaW3419, and agaW3420 in the mutant strains, which could be the reason for the improvement of degradation activities in the mutant strains. Furthermore, T3 had the lowest consumption rate of agar oligosaccharide, which was 21% less than the wild-type strain. Therefore, T3 possessed a preferable production value due to its higher degrading activity and lower consumption of agar oligosaccharides. The current work enhanced the agar-degrading activity of WPAGA4 and offered strains with greater potential for agar oligosaccharide production, thereby laying the foundation for industrial applications.

The effect of exercise and educational programs for breast cancer patients on the development of breast cancer-related lymphoedema: secondary endpoint from a randomized controlled trial in the Setouchi Breast Project-10.

Although the association between higher physical activity and preventive effect on breast-cancer-related lymphoedema (BCRL) has been reported, it is unclear what intervention is optimal. We aimed to investigate the effect of exercise and educational programs on BCRL development. This study was a secondary endpoint analysis from a prospective randomized controlled trial. We enrolled patients with stage 0-III breast cancer from March 2016 to March 2020 and randomly assigned them to the control (n = 111), education (n = 115), or exercise (n = 104) group. As secondary endpoint, we assessed the incidence of and preventive effect on BCRL at 12months post-intervention. There were no significant differences in the incidence of BCRL at 12months post-intervention between the exercise and control groups (9.8% and 10.8%, P = 0.83) and the education and control groups (11.6% and 10.8%, P = 1.00). There were no significant differences in time to BCRL onset from the day of surgery between the exercise and control groups (event rate at 12months: 20.7% and 17.2%, log-rank, P = 0.54) and the education and control groups (18.8% and 17.2%, log-rank, P = 0.57). The multivariable analyses indicated that axillary dissection and obesity significantly increased the risk of BCRL [hazard ratio (HR): 2.36, 95% confidence interval (CI) 1.52-3.67 and HR: 1.68, 95% CI 1.07-2.63, respectively]. The intervention did not decrease the risk of BCRL, and axillary dissection and obesity were the risk factors of BCRL. UMIN000020595 at UMIN Clinical Trial Registry.

Semaphorin 6D tunes amygdalar circuits for emotional, metabolic, and inflammatory outputs.

Regulated neural-metabolic-inflammatory responses are essential for maintaining physiological homeostasis. However, the molecular machinery that coordinates neural, metabolic, and inflammatory responses is largely unknown. Here, we show that semaphorin 6D (SEMA6D) coordinates anxiogenic, metabolic, and inflammatory outputs from the amygdala by maintaining synaptic homeostasis. Using genome-wide approaches, we identify SEMA6D as a pleiotropic gene for both psychiatric and metabolic traits in human. Sema6d deficiency increases anxiety in mice. When fed a high-fat diet, Sema6d-/- mice display attenuated obesity and enhanced myelopoiesis compared with control mice due to higher sympathetic activity via the β3-adrenergic receptor. Genetic manipulation and spatial and single-nucleus transcriptomics reveal that SEMA6D in amygdalar interneurons is responsible for regulating anxiogenic and autonomic responses. Mechanistically, SEMA6D is required for synaptic maturation and γ-aminobutyric acid transmission. These results demonstrate that SEMA6D is important for the normal functioning of the neural circuits in the amygdala, coupling emotional, metabolic, and inflammatory responses.

Helicobacter pylori East Asian type CagA hijacks more SHIP2 by its EPIYA-D motif to potentiate the oncogenicity

ABSTRACT CagA is a significant oncogenic factor injected into host cells by Helicobacter pylori, which is divided into two subtypes: East Asian type (CagAE), characterized by the EPIYA-D motif, and western type (CagAW), harboring the EPIYA-C motif. CagAE has been reported to have higher carcinogenicity than CagAW, although the underlying reason is not fully understood. SHIP2 is an intracellular phosphatase that can be recruited by CagA to perturb the homeostasis of intracellular signaling pathways. In this study, we found that SHIP2 contributes to the higher oncogenicity of CagAE. Co-Immunoprecipitation and Pull-down assays showed that CagAE bind more SHIP2 than CagAW. Immunofluorescence staining showed that a higher amount of SHIP2 recruited by CagAE to the plasma membrane catalyzes the conversion of PI(3,4,5)P3 into PI(3,4)P2. This alteration causes higher activation of Akt signaling, which results in enhanced IL-8 secretion, migration, and invasion of the infected cells. SPR analysis showed that this stronger interaction between CagAE and SHIP2 stems from the higher affinity between the EPIYA-D motif of CagAE and the SH2 domain of SHIP2. Structural analysis revealed the crucial role of the Phe residue at the Y + 5 position in EPIYA-D. After mutating Phe of CagAE into Asp (the corresponding residue in the EPIYA-C motif) or Ala, the activation of downstream Akt signaling was reduced and the malignant transformation of infected cells was alleviated. These findings revealed that CagAE hijacks SHIP2 through its EPIYA-D motif to enhance its carcinogenicity, which provides a better understanding of the higher oncogenic risk of H. pylori CagAE.

Graphitic Carbon Nitride Structures on Carbon Cloth Containing Ultra- and Nano-Dispersed NiO for Photoactivated Oxygen Evolution.

The development of low-cost and high-efficiency oxygen evolution reaction (OER) photoelectrocatalysts is a key requirement for H2 generation via solar-assisted water splitting. In this study, we report on an amenable fabrication route to carbon cloth-supported graphitic carbon nitride (gCN) nanoarchitectures, featuring a modular dispersion of NiO as co-catalyst. The synergistic interaction between gCN and NiO, along with the tailoring of their size and spatial distribution, yield very attractive OER performances and durability in freshwater splitting, of great significance for practical end-uses. The potential of gCN electrocatalysts containing ultra-dispersed, i. e. "quasi-atomic" NiO, exhibiting a higher activity than the ones containing nickel oxide nanoaggregates, is further highlighted by their activity even in real seawater. This work suggests that efficient OER catalysts can be designed through the construction of optimized interfaces between transition metal oxides and carbon nitride, yielding inexpensive and promising noble metal-free systems for real-world applications.

Cast Extruded Films Based on Polyhydroxyalkanoate/Poly(lactic acid) Blend with Herbal Extracts Hybridized with Zinc Oxide

The aim of the presented work was to functionalize a blend based on polyhydroxyalkanoate (PHA): poly(hydroxybutyrate (PHB) with poly(lactic acid) (PLA) and a mixture of three selected herb extracts, namely, Hypericum L., Urtica L. and Chelidonium L., (E), zinc oxide (ZnO) and a combined system (EZnO), produced via extrusion. Before processing with bioresin, the natural modifiers were characterized using thermal analysis, FTIR and antimicrobial tests. The results revealed interactions between the extracts and the filler, leading to higher thermal stability in EZnO than when using E alone. Moreover, the mixture of extracts exhibited antimicrobial properties toward both Gram-negative (S. aureus) as well as Gram-positive bacteria (E. coli). Modified regranulates were transformed into films by cast extrusion. The influence of the additives on thermal (DSC, TGA and OIT), mechanical, barrier (WVTR and OTR), morphological (FTIR) and optical properties was investigated. The EZnO additive had the highest impact on the mechanical, barrier (OTR and WVTR) and optical properties of the bioresin. The microbial test results revealed that PHA-EZnO exhibited higher activity than PHA-ZnO and PHA-E and also reduced the number of S. aureus, E. coli and C. albicans cells. The findings confirmed the synergistic effect between the additive components. Modified polyester films did not eliminate the phi6 bacteriophage particles completely, but they did decrease their number, confirming moderate antiviral effectiveness.

The HPE1 RNA-binding protein modulates chloroplast RNA editing to promote photosynthesis under cold stress in Arabidopsis.

Cold stress has severe negative consequences for plant growth and crop yield. Here, we report that an Arabidopsis thaliana mutant that lacks the HPE1 gene, which encodes an RNA-binding protein, maintains higher photosynthetic activity under cold stress, together with higher accumulation of thylakoid proteins. We showed that HPE1 interacts with MORF2 and MORF9 and thereby mediates RNA editing in chloroplasts. Loss of HPE1 function increased the editing efficiency at four RNA editing sites, rpoC-488, ndhB-149, ndhB-746 and matK-706, under cold stress and altered the expression of nuclear photosynthesis-related genes and cold-responsive genes. We propose that HPE1-mediated RNA editing acts as a trigger for retrograde signaling that affects photosynthesis under cold stress.

Prevalence of Irritable Bowel Syndrome in Ankylosing Spondylitis and Its Association with Clinical and Demographic Findings and Gut Pathology

Irritable bowel syndrome (IBS) is common in ankylosing spondylitis (AS) and may be associated with the disease. We aimed to determine the prevalence of IBS in AS patients and its association with clinical and demographic patient characteristics and with macroscopic and microscopic gut lesions. Sixty consecutive AS patients were included in this study. Disease activity was assessed with the BASDAI (Bath Ankylosing Spondylitis Disease Activity Index) and functional status with the BASFI (Bath Ankylosing Spondylitis Functional Index). The ROME III criteria were used to diagnose IBS. Macroscopic lesions were graded during colonoscopies. Biopsy specimens were taken from the terminal ileum, colon (ascending, transverse and descending) and rectum. Histological samples were scored with Cuvelier grading. The prevalence of IBS was 23.3% (14/60). The mean age of 14 IBS subjects (10 male) was 32 ± 8.50., with a higher BASDAI (p = 0.046). Macroscopic lesions were more frequent in IBS cases in the terminal ileum (46.2% vs. 34.9%), ascending colon (21.4% vs. 2.2%) and rectum (21.4% vs. 17.4%), with Grade 2 significantly more prevalent in the ascending colon (p = 0.03). Microscopic lesions did not differ among the IBS-present and -absent groups. In conclusion, the prevalence of IBS was high in AS patients and associated with higher disease activity. Grade 2 macroscopic lesions were more frequent in the ascending colon.

Elevating Oxygen Evolution using Iron Phthalocyanine Infused Vanillic acid Electrocatalyst.

Oxygen evolution reaction (OER) is the bottle neck step in water splitting reaction towards the realization of hydrogen based clean energy production and storage. Transition metal based N4 organics are explored extensively as oxygen electrocatalysts i.e.,(OER) and oxygen reduction reaction (ORR) catalysts because of their ease of synthesis, tuneable properties, low cost and high performance with long term stability. Here, vanillic acid functionalized iron phthalocyanine (FeVAPc) was synthesised and characterised. The novel FeVAPc exhibited good thermal stability and was coated on Ni foam for OER studies. The scanning electron microscopy images showed net-work like surface morphology and the X-ray photoelectron spectroscopy indicated the presence of Fe in +3 oxidation state. The Ni/FeVAPc demonstrated excellent electrocatalytic activity for OER with overpotential of 312 mV at 10 mA.cm-2 current density in 1.0 M KOH . The designed catalyst exhibited lesser Tafel slope value which is nearer to the benchmark catalyst, IrO2. The proposed catalyst exhibited good stability as phthalocyanines are highly stable and do not undergo decomposition even in strong acidic and basic corrosive media. Integration of FeVAPc onto Ni foam resulted in higher mass activity, lower charge transfer resistance, high active surface area leading to enhanced conductivity and activity.

Proton‐Enriched Alginate–Graphene Hydrogel Microreactor for Enhanced Hydrogen Peroxide Photosynthesis

Efficient synthesis of H2O2 via photocatalytic oxygen reduction without sacrificial agents is challenging due to inadequate proton supply from water and difficulty in maintaining O−O bond during O2 activation. Herein, we developed a straightforward strategy involving a proton‐rich hydrogel cross‐linked by metal ions [M(n)], which is designed to facilitate the selective production of H2O2 through proton relay and metal ion‐assisted detachment of crucial intermediates. The hydrogel comprises CdS/graphene and alginate cross‐linked by metal ions via O=C−O−M(n) bonds. Efficient O2 reduction and hydrogenation occurred, benefitting from the collaboration between proton‐rich alginate and the photocatalytically active CdS/graphene. Meanwhile, the O=C−O−M(n) bonds enhance the electron density of α‐carbon sites on graphene, crucial for O2 activation and *OOH intermediate detachment, preventing deeper O−O bond cleavage. The role of metal ions in promoting *OOH desorption was evident through Lewis acidity‐dependent activity, with Y(III) demonstrating the highest activity followed by Lu(III), La(III), and Ca(II).

Proton-Enriched Alginate-Graphene Hydrogel Microreactor for Enhanced Hydrogen Peroxide Photosynthesis.

Efficient synthesis of H2O2 via photocatalytic oxygen reduction without sacrificial agents is challenging due to inadequate proton supply from water and difficulty in maintaining O-O bond during O2 activation. Herein, we developed a straightforward strategy involving a proton-rich hydrogel cross-linked by metal ions [M(n)], which is designed to facilitate the selective production of H2O2 through proton relay and metal ion-assisted detachment of crucial intermediates. The hydrogel comprises CdS/graphene and alginate cross-linked by metal ions via O=C-O-M(n) bonds. Efficient O2 reduction and hydrogenation occurred, benefitting from the collaboration between proton-rich alginate and the photocatalytically active CdS/graphene. Meanwhile, the O=C-O-M(n) bonds enhance the electron density of α-carbon sites on graphene, crucial for O2 activation and *OOH intermediate detachment, preventing deeper O-O bond cleavage. The role of metal ions in promoting *OOH desorption was evident through Lewis acidity-dependent activity, with Y(III) demonstrating the highest activity followed by Lu(III), La(III), and Ca(II).

Effect of the reorganization of acid sites induced by metal species on TiO2 supports on the conversion of furfural to acetals and ethers

For the catalytic hydrogenation of furfural (FFR) over supported metal catalysts, acetals and ethers were often observed as by-products when alcohols were used as solvents. The presence of specific acid sites on the catalyst led to the conversion of FFR to acetals and ethers. To understand the effect of the interaction between metal species and oxide supports on the acid properties of catalysts and the conversion of FFR to acetals and ethers, anatase TiO2 (TiO2-A), rutile TiO2 (TiO2-R) and these TiO2 supported Ni catalysts were studied as models. The relationship between the acid properties of these samples and FFR conversion pathways in isopropanol was revealed. The interaction between Ni species and TiO2 supports was found to selectively remove Brønsted acid sites on the TiO2 supports in the absence of H2, thereby inhibiting the conversion of FFR to acetals and ethers in N2. However, the presence of high-pressure H2 during the reaction induced the formation of new Brønsted acid sites on Ni/TiO2 catalysts via hydrogen spillover, promoting the acetalization of FFR to acetals and the hydrogenolysis of acetals to ethers. The Ni/TiO2-A catalyst exhibited higher activity in catalyzing the conversion of FFR to acetals and ethers compared to the Ni/TiO2-R catalyst. This work provides reference information for the selective regulation of acid-catalyzed reaction pathways of FFR in alcohols.

Polyphenol composition and antioxidant activity of wine raw materials and pomace from hybrid grapes, aronia, and Japanese quince ia melanocarpa) and Japanese quince (Chaenomeles japonica)

Wine pomace contains high amounts of bioactive compounds, mainly polyphenols, with varying concentrations depending on multiple factors. This research aimed to determine differences in the content of polyphenols and antioxidant activity of the wine raw materials and pomace of Japanese quince (‘Rasa’), aronia (seedlings), and grape (‘Hasansky Sladky’) and between harvest years (2021, 2022), as well as between fruits and pomace. Pomace from aronia and Japanese quince was obtained after maceration for 5 and 7 days, respectively, while grape pomace was collected on the day of harvest. The polyphenol content of fruits and pomace varied significantly between harvest years. Aronia had the highest total polyphenol content in fruits (989 mg GAE 100 g-1) and pomace (1022 mg GAE 100 g-1), followed by Japanese quince (625 and 722 mg GAE 100 g-1) and grapes (390 and 481 mg GAE 100 g-1). Aronia fruits and pomace had higher antioxidant activity. Compared to the fruits, aronia pomace had less chlorogenic acid and neochlorogenic acid. Flavanols were the main polyphenols in the Japanese quince, showing lower content in the pomace when compared to fruits, except catechin content was higher. The content of anthocyanins and flavonols was higher in the rosé wine pomace than in the fruits of grapes.

Investigating the anti-inflammatory potential of Elaeagnus an-gustifolia L. through enzyme inhibition assays

Elaeagnaceae family, which is common in the steppe regions of Asia, Europe, and North America, contains about 45 species, including three genus: Hippophae, Shepherdia, and Elaeagnus. There are two species in the genus Hippophae rhamnoides and Elaeagnus angustifolia. The species of the Elaeagnaceae family is widely used in public and traditional medicine due to its widespread prevalence in the world and in Turkey. Ethnobotanical field studies have revealed that the fruits of E. angustifolia L. are used in Anatolia as an anti-inflammatory, antipyretic, urolithiatic, antidiarrheal, and anti-inflammatory agent in eye infections. Furthermore, the fruit of this plant is consumed as an appetizer and a source of nutrition. The study aims to evaluate the in vitro anti-inflammatory activity of extracts in different polarities from the leaves, branches, and fruits of E. angustifolia and to establish the content of polyphenolic compounds (flavones and polyphenolic carboxylic acids) in the ethyl acetate extract branches using high-performance liquid chromatography coupled with mass spectrometry (HPLC-MS). In this context, the anti-inflammatory effects of n-hexane, ethyl acetate, and methanol extracts prepared from the plant have been evaluated through in vitro cyclooxygenase (COX-1 and COX-2) enzyme inhibition, inhibition of protein denaturation and proteinase enzyme, and anti-lipoxygenase activity tests. The results showed the highest activity of the ethyl acetate extract from branches. The HPLC-MS analysis revealed that the ethyl acetate extract prepared from the branches at a concentration of 100 mg/g contains p-coumaric acid (123.91 mg%), ferulic acid (62.07 mg%), kaempferol (43.11 mg%), sinapic acid (9.82 mg%), and quercetol (12.46 mg%). It was concluded that the data obtained in this context supported the use of the plant in folk medicine.

Investigating the anti-inflammatory potential of Elaeagnus an-gustifolia L. through enzyme inhibition assays

Elaeagnaceae family, which is common in the steppe regions of Asia, Europe, and North America, contains about 45 species, including three genus: Hippophae, Shepherdia, and Elaeagnus. There are two species in the genus Hippophae rhamnoides and Elaeagnus angustifolia. The species of the Elaeagnaceae family is widely used in public and traditional medicine due to its widespread prevalence in the world and in Turkey. Ethnobotanical field studies have revealed that the fruits of E. angustifolia L. are used in Anatolia as an anti-inflammatory, antipyretic, urolithiatic, antidiarrheal, and anti-inflammatory agent in eye infections. Furthermore, the fruit of this plant is consumed as an appetizer and a source of nutrition. The study aims to evaluate the in vitro anti-inflammatory activity of extracts in different polarities from the leaves, branches, and fruits of E. angustifolia and to establish the content of polyphenolic compounds (flavones and polyphenolic carboxylic acids) in the ethyl acetate extract branches using high-performance liquid chromatography coupled with mass spectrometry (HPLC-MS). In this context, the anti-inflammatory effects of n-hexane, ethyl acetate, and methanol extracts prepared from the plant have been evaluated through in vitro cyclooxygenase (COX-1 and COX-2) enzyme inhibition, inhibition of protein denaturation and proteinase enzyme, and anti-lipoxygenase activity tests. The results showed the highest activity of the ethyl acetate extract from branches. The HPLC-MS analysis revealed that the ethyl acetate extract prepared from the branches at a concentration of 100 mg/g contains p-coumaric acid (123.91 mg%), ferulic acid (62.07 mg%), kaempferol (43.11 mg%), sinapic acid (9.82 mg%), and quercetol (12.46 mg%). It was concluded that the data obtained in this context supported the use of the plant in folk medicine.

Molecular Dynamic Simulations of Dual Inhibitors for AChE and BChE; Theoretical and Experimental Approaches

The aim of the study is to design and synthesize thiazolidinone derivatives having therapeutic potential using PABA as a core component. The characterization of thiazolidinones MS1–MS6was carried out using different spectroscopic techniques before being subjected to DFT studies to calculate various parameters such as HOMO/LUMO energy gaps and global chemical properties. Thiazolidinones MS1–MS6were screened to evaluate their in vitro enzyme inhibition potential. In addition to experimental work, theoretical approaches were used as supporting components to design the enzyme inhibitors. In-silico ADMET and docking studies were performed to check the therapeutic properties of thiazolidinone derivatives. The enzyme inhibition potential predicted that MS1–MS6have potential to inhibit AChE and BChE. The highest activity was depicted by MS4 with a percentage inhibition of 81.7 ±1.1% against AChE. The molecular dynamic simulation was run for MS4 showing a similar activity on enzyme compared to the standard inhibitor. Both experimental and theoretical assessments suggested the therapeutic importance of the thiazolidinone derivatives MS1–MS6. In-depth studies are ongoing to complete therapeutic probing in terms of toxicity and chemical uses.

3-Dimensional numerical study on carbon based electrodes for vanadium redox flow battery

Electrode materials are critical in determining the performance of Vanadium redox flow batteries (VRFB). This work aims at elucidating the difference between carbon-based electrodes for VRFB. The electrodes considered for the present study are Graphite felt, Carbon felt, Carbon paper, and Carbon cloth. To study the characteristic behavior of different electrode materials, a 3D unit cell numerical model was developed by coupling electrolyte flow and electrochemical reactions and mass transfer module apart from considering the electrode structural and material information such as porosity, permeability, thickness, conductivity, and specific area. The simulation results of this study suggest that the Graphite felt is the optimum choice as an electrode material for VRFB as it offers higher electrocatalytic activity, lower pressure drop, better performance, and lower cost. The study is also extended to a multilayer configuration of Carbon Paper and Carbon Cloth. The performance of multi-layered electrodes by stacking single sheets of Carbon Paper and Carbon Cloth electrodes are matched to meet the performance obtained with the Graphite felt electrode. It has been shown with the help of polarization curve and the pressure drop study that the performance of five layers of carbon cloth and nine layers of carbon paper match the performance of Graphite felt, approximately. The present study provides practical guidance for the design and optimization of VRFB electrodes.