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Background Ulcerative colitis (UC) is the large intestine disease that results in chronic inflammation and ulcers in the colon. Rg3-enriched Korean red ginseng extract (Rg3-RGE) is known for its pharmacological activities. Persicaria tinctoria (PT) is also used in the treatment of various inflammatory diseases. The aim of this study is to investigate the attenuating effects of Rg3-RGE with PT on oxazolone (OXA)-induced UC in mice. Methods A total of six groups of mice including control group, OXA (as model group, 1.5%) group, sulfasalazine (75 mg/kg) group, Rg3-RGE (20 mg/kg) group, PT (300 mg/kg) group, and Rg3-RGE (10 mg/kg) with PT (150 mg/kg) group. Data on the colon length, body weight, disease activity index (DAI), histological changes, nitric oxide (NO) assay, Real-time PCR of inflammatory factors, ELISA of inflammatory factors, Western blot, and flow cytometry analysis were obtained. Results Overall, the combination treatment of Rg3-RGE and PT significantly improved the colon length and body weight and decreased the DAI in mice compared with the treatment with OXA. Additionally, the histological injury was also reduced by the combination treatment. Moreover, the NO production level and inflammatory mediators and cytokines were significantly downregulated in the Rg3-RGE with the PT group compared with the model group. Also, NLR family pyrin domain containing 3 (NLRP3) inflammasome and nuclear factor kappa B (NF-κB) were suppressed in the combination treatment group compared with the OXA group. Furthermore, the number of immune cell subtypes of CD4+ T-helper cells, CD19+ B-cells, and CD4+ and CD25+ regulatory T-cells (Tregs) was improved in the Rg3-RGE with the PT group compared with the OXA group. Conclusion Overall, the mixture of Rg3-RGE and PT is an effective therapeutic treatment for UC.

The objective of this research is to demonstrate the feasibility of sustained combustion in hybrid rocket motor configuration with oxidizers containing high concentrations of C O 2 , an in situ propellant suitable for Mars applications. Motor tests are performed by using N 2 O / C O 2 mixtures as the oxidizer and paraffin fuel loaded with high concentrations metal powders. Fuel grains with aluminum and magnesium powders have been cast at 40% by mass in the paraffin wax binder. C O 2 is mixed with liquid N 2 O up to 50% in weight percentage as a saturated liquid mixture. Experiments are performed in the blowdown mode using the self-pressurizing capability of the mixed oxidizers. A lab-scale hybrid motor with 70 mm grain length and 31 mm outer grain diameter is used to measure the key performance parameters such as regression rate and combustion efficiency. Successful ignition and sustained/stable combustion with the mixed oxidizer are achieved at C O 2 concentrations up to 43% by mass in the liquid mixture. The primary conclusion from this study is that the operation of hybrid rockets with substantial levels of in situ propellant C O 2 is feasible.

Mycobacterium smegmatis MutT1 (MsMutT1) is a sanitation enzyme made up of an N-terminal Nudix hydrolase domain and a C-terminal domain resembling a histidine phosphatase. It has been established that the action of MutT1 on 8-oxo-dGTP, 8-oxo-GTP and diadenosine polyphosphates is modulated by intermolecular interactions. In order to further explore this and to elucidate the structural basis of its differential action on 8-oxo-NTPs and unsubstituted NTPs, the crystal structures of complexes of MsMutT1 with 8-oxo-dGTP, GMPPNP and GMPPCP have been determined. Replacement soaking was used in order to ensure that the complexes were isomorphous to one another. Analysis of the structural data led to the elucidation of a relationship between the arrangements of molecules observed in the crystals, molecular plasticity and the action of the enzyme on nucleotides. The dominant mode of arrangement involving a head-to-tail sequence predominantly leads to the generation of NDPs. The other mode of packing arrangement appears to preferentially generate NMPs. This work also provides interesting insights into the dependence of enzyme action on the conformation of the ligand. The possibility of modulating the enzyme action through differences in intermolecular interactions and ligand conformations makes MsMutT1 a versatile enzyme.

[18F]MC225 has been developed as a weak substrate of P-glycoprotein (P-gp) aimed to measure changes in the P-gp function at the blood-brain barrier with positron emission tomography. This study evaluates [18F]MC225 kinetics in non-human primates and investigates the effect of both scan duration and P-gp inhibition. Three rhesus monkeys underwent two 91-min dynamic scans with blood sampling at baseline and after P-gp inhibition (8 mg/kg tariquidar). Data were analyzed using the 1-tissue compartment model (1-TCM) and 2-tissue compartment model (2-TCM) fits using metabolite-corrected plasma as the input function and for various scan durations (10, 20, 30, 60, and 91 min). The preferred model was chosen according to the Akaike information criterion and the standard errors (%) of the estimated parameters. For the 91-min scan duration, the influx constant K1 increased by 40.7% and the volume of distribution (VT) by 30.4% after P-gp inhibition, while the efflux constant k2 did not change significantly. Similar changes were found for all evaluated scan durations. K1 did not depend on scan duration (10 min - K1 = 0.2191 vs 91 min - K1 = 0.2258), while VT and k2 did. A scan duration of 10 min seems sufficient to properly evaluate the P-gp function using K1 obtained with 1-TCM. For the 91-min scan, VT and K1 can be estimated with a 2-TCM, and both parameters can be used to assess P-gp function.

The grand challenge in the commercialization of direct carbon fuel cell (DCFC) technology is the development of a cost-effective and thermally stable material, which facilitates fast ionic and elec...

In view of depleting petroleum reserves and to decrease the dependence on petroleum products, there is an increasing interest in maximising the use of renewable material. The use of agricultural wa...

Due to ever increasing use of polymer composites and rising environmental concerns throughout the world, greater attention is being paid to the incorporation of lingo-cellulosic materials as filler...

Gallium-based liquid metals have been used widely in many industries because of their unique properties such as high electrical conductivity, the superconductive character at low temperature, and high thermal conductivity. For heat management application, Gallium based metal can be used directly in the liquid form, or in solid particle form. The solid form, however, has extensive application because it can be used as a microparticle additive to create a microfluid. In this research, the ultrasonic oscillator was used to synthesize sub-micron Gallium based particles. Ethanol and Polyethylene Glycol was used and compared as a medium during ultrasonication. Up to 15 %wt of the solid particle was successfully synthesized from one gram of liquid metal source using this simple method.

Metabolic diseases related to Human Immunodeficiency Virus (HIV) caused an increase in the workload of health services. Prevalence of HIV infection in Indonesian provinces varied considerably, ranging from less than 0.1% to 4%. Several studies have analyzed the correlation between insulin resistance and the usage of antiretroviral drugs, especially protease inhibitors. The main mechanism that responsible for insulin resistance is related to glucose transporter inhibition (GLUT4). This study objective is to assess the correlation between prolonged administration of protease inhibitors and insulin resistance in patients with that have diagnosed with HIV. Method. This research is an observational research using a cross-sectional design. The study was carried at the POSYANSUS Polyclinic at H. Adam Malik General Hospital in August - December 2019. The study sample were 34 HIV-treated patients receiving protease inhibitor ARV therapy. The study was analysed using chi square. Results. The characteristics of the study subjects had the most frequent age range at the age of 34 - 49 years (54.3%), men (71.4%) and women (28.6%). The longest use of antiretroviral drugs is most in the 6-12 months group (60%). Insulin resistance number in this study was 13 people (37.1%). The average HOMA-IR value of the study subjects was 2 (0.8-16.5), fasting blood sugar levels were 86 (70-283) mg / dl, fasting insulin levels were 9.1 (4.1-79.4) (µU / ml)., urea levels of 20.88 ± 9.7 mg / dl and creatinine levels of 0.81 ± 0.15 mg / dl. There was a significant correlation between the duration of ARV treatment with insulin resistance (p = 0.018; OR 7.65) Conclusion. There is a significant correlation between the duration of ARV treatment with insulin resistance. The longer Protease Inhibitor was used, the bigger insulin resistance.

We investigated whether isoleucilactucin, an active constituent of Ixeridium dentatum, reduces inflammation caused by coal fly ash (CFA) in alveolar macrophages (MH-S). The anti-inflammatory effects of isoleucilactucin were assessed by measuring the concentration of nitric oxide (NO) and the expression of pro-inflammatory mediators in MH-S cells exposed to CFA-induced inflammation. We found that isoleucilactucin reduced CFA-induced NO generation dose-dependently in MH-S cells. Moreover, isoleucilactucin suppressed CFA-activated proinflammatory mediators, including cyclooxygenase-2 (COX2) and inducible NO synthase (iNOS), and the proinflammatory cytokines such as interleukin-(IL)-1β, IL-6, and tumor necrosis factor (TNF-α). The inhibiting properties of isoleucilactucin on the nuclear translocation of phosphorylated nuclear factor-kappa B (p-NF-κB) were observed. The effects of isoleucilactucin on the NF-κB and mitogen-activated protein kinase (MAPK) pathways were also measured in CFA-stimulated MH-S cells. These results indicate that isoleucilactucin suppressed CFA-stimulated inflammation in MH-S cells by inhibiting the NF-κB and MAPK pathways, which suggest it might exert anti-inflammatory properties in the lung.

Thixoforming is a processing method that deforms metal in a semisolid state. The advantages of this process include the production of parts with good surface finish, fine microstructures and superior mechanical properties. However, the process mostly produces parts from aluminium cast grades, thereby not fully utilising the true potential of this method. Hence, thermodynamic modelling can be used to formulate alloy compositions that favour this processing method. Here, the effects of reducing copper content and increasing silicon and magnesium contents on the thixoformability of aluminium alloy 2014 were presented. The work consists of both the modelling and experimental validation. Results showed that by increasing Si and decreasing Cu content in the alloy, the solidification interval temperature was decreased and the temperature working window between the stipulated liquid fractions was widened, two of the characteristics favouring the process. A high solid-solution temperature employed resulted in the dissolution of unfavourable Mg2Si compound. An increase in Mg content used also resulted in the formation of the compact π-Al8FeMg3Si6 phase and the decrease in the amount of the sharp and plate-like structure of the β-Al5FeSi phase, improving the strength of the modified alloy. Subsequent T6 heat treatment successfully further increased the strength of the modified alloy.

S-allyl-L-cysteine (SAC) is an organosulfur compound derived from aged garlic extract (AGE). Studies have reported that AGE possesses bioprotective capacity, including antidiabetic, antimicrobial, antioxidant, and antitumor effects. The present study examined the protective effects of SAC against carbon tetrachloride (CCl4) induced hepatotoxicity in rats. Ten male Wistar rats aged 11 - 12 weeks were randomly divided into two groups (five rats/group) as control and SAC groups. All rats had ad libitum access to water, and the SAC group received water containing SAC intragastrically (200 mg/kg) once daily for five consecutive weeks. In the fifth experimental week, 50% CCl4 in olive oil (1 mL/kg) was administered intraperitoneally three times a week to induce liver injury in both groups. Rats were sacrificed at 24 hours after the last CCl4 injection, and liver tissues were excised for histopathological, immunohistochemical and antioxidant analyses. The rats in the SAC group did not show abnormal behavior, such as decreased water intake or food consumption, during the experimental period. Body weights in all groups did not change significantly over the experimental period. Histopathological analysis showed that the percentage of hepatic steatosis was lower in the SAC group at 12.75% ± 3.74% compared to 24.64% ± 5.29% in the control group (p p 4-induced liver damage by decreasing hepatic steatosis and reducing CYP2E1 expression in rats.

Edge preparation has gained widespread use due to its low cost and high impact. Various edge preparation methods are reported in the literature. Choice of edge preparation techniques influences the edge properties and the ensuing tool performance. The current work investigates the influence of three different edge preparation methods, brushing, drag finishing, and wet abrasive jet machining on the performance of tungsten carbide inserts during orthogonal turning. Edge preparation not only changes the geometry but also the properties of the edge. Experimental results show that a drag finished edge has the lowest edge surface roughness (Ra = 0.42 μm), while abrasive jet machining can induce 63% greater compressive residual stress than the unprepared tool. Reduction in tool wear was observed at the same stage of cutting length in the prepared edges alongside improved edge hardness. A thermomechanical finite element analysis is performed to evaluate the thermomechanical behavior of all the cutting edges. Results demonstrate that the use of prepared cutting edges enhances stress distribution and reduces the temperature. Experimental results confirm that the drag finished edge has the best overall performance out of the three edge techniques with lower cutting temperature, better stress distribution, lower cutting forces, reduced flank wear, and reduced roughness of the machined surface finish.

The search for electrode materials as a potential candidate for Li-ion based batteries is important to achieve high-performance devices. This work constitutes the experimental and theoretical investigation of structural stability and electrochemical behavior of cupric oxide and multi-walled carbon nanotubes (CuO/MWNNTs) nanocomposites. The electrochemical performance of nanocomposites was gauged employing charge/discharge and cyclic voltammetry studies. It is shown that electrochemical properties of pure materials, due to the synergistic effect, are considerably enhanced in CuO/MWNNTs composites. As a result, high rate capability and better cycling stability is observed in CuO-5%MWCNTs samples. In addition, this composite possesses better specific capacity 810 mAh g−1 and a high columbic efficiency of 80.86%. The DFT calculations also confirmed the improved electrochemical properties of MWCNTs in the presence of CuO nanoparticles.

In the present work, polystyrene composites using wheat husk, rice husk and mustard husk as fillers are synthesized using in-situ polymerisation technique. Three different filler loading (5%, 10% and 15 %) and three different filler sizes (250-355 µ, 355-500 µ, 500-710 µ) were utilized for the studying the effect of these compositions on different mechanical properties of the synthesized composites. The results have shown that the filler size 250-355 µ and 5 % loading give the maximum values for tensile strength, flexural strength and hardness for all the three types of fillers. While in case of water absorptivity lower the size/loading, lesser would be the water absorbed. The SEM analysis is done to study the fractured surface of the specimen.

The potential of Pleurotus eryngii was studied fordecolorization ability of different types of textile dyes whichwere screened on liquid medium. During decolorization study onseven textile dyes, it was found that P. eryngii had the mostefficient decolorization on reactive Blue 21 with decolorizationpercentage (98.4%). On the other hand, the immobilized P.eryngii on wheat straw, rice straw, sugar cane waste and wheatbran had biodegradation ability of Blue 21 dye. Theimmobilization of fungus on sugar cane waste gave moreefficient decolorization of Blue 21 with decolorizationpercentage (83.5%). Also it was found that the decolorizationpercentage in case of free P. eryngii was (50.8%). The fungushas the ability to produce lignin-degrading enzymes as laccase,Mn peroxidase, peroxidase and catechol oxidase enzymes.Immobilized P. eryngii on sugar cane waste exhibited the abilityto treat industrial textile effluent, 85 to 90% reductions of variousnutrients including biological oxygen demand (BOD) andchemical oxygen demand COD were achieved and color removalreached to 96%. So, it was suggested that the immobilized P.eryngii might be applicable to textile effluent system. It wasfound that the reuse of the treated textile effluent withimmobilized P. eryngii on sugar cane waste for irrigation of Basilplant and good result similar to that obtained by tap water.

Natural bond orbital (NBO) analysis obtained from density functional theory (DFT) calculations was used to show whether syndetic donation (π or σ-electron density in the vicinity of the agostic carbon interacting with a metal center) is present in a variety of ligand-directed aromatic ring C–H bond activations by palladium acetate. Benzyl alcohol gave a complex with reduced agostic donation compared to N,N-dimethylbenzylamine and 2-phenylpyridine and similar syndetic π-donation except for 2-phenylpyridine, which is much lower. Phenethyl alcohol gave a simple coordination complex without interactions and 3-phenylpropan-1-ol gave an agostic interaction with a benzylic C–H bond and no syndetic donation. The ketones 1-tetralone, 1-indanone, and acetophenone gave agostic complexes with well-developed syndetic π-donation; PhCO2H gave well-developed agostic and syndetic π-donation, PhCH2CO2H gave an η2-complex, and PhCH2CH2CO2H gave a coordination complex with no interactions. Amide functional groups next to an ...

Naked-eye colored chemo dosimeters based on symmetrical calix[4]azo dye conjugates A1–3 are synthesized and characterized. Calix[4]azo dye conjugates exhibit high selectivity and sensitivity in detection of Fe2+, Ni2+, Co2+, and Cr3+ ions, and the highest sensitivity is determined for Cu2+. For the rapid monitoring of Cu2+ ions a simple paper test strip system is developed.

Cellular uptake and expulsion mechanisms of engineered mesoporous silica nanoparticles (MSNPs) are important in their design for novel biomolecule isolation and delivery applications such as nanoharvesting, defined as using nanocarriers to transport and isolate valuable therapeutics (secondary metabolites) out of living plant organ cultures (e.g., hairy roots). Here, temperature-dependent MSNP uptake and recovery processes in hairy roots are examined as a function of surface chemistry. MSNP uptake into hairy roots and time-dependent expulsion are quantified using Ti content (present for biomolecule binding) and fluorescence spectroscopy of fluorescently tagged MSNPs, respectively. The results suggest that functionalization and surface charge (regulated by amine group attachment) play the biggest role in the effectiveness of uptake and recovery. Comparison of MSNP interactions with hairy roots at 4 and 23 °C shows that weakly charged MSNPs functionalized only with Ti are taken up and expelled by thermally activated mechanisms, while amine-modified positively charged particles are taken up and expelled mainly by direct penetration of cell walls. Amine-functionalized MSNPs move spontaneously in and out of plant cells by dynamic exchange with a residence time of 20 ± 5 min, suggesting promise as a biomolecule nanoharvesting platform for plant organ cultures.

Phellinus baumii is a mushroom utilized as a traditional medicine for a wide range of human ailments, including diabetes, hypertension, hypercholesterolemia, and cancer, in Asia. The purpose of this study was to find out whether Phellinus baumii extract (PBE) could reduce inflammation caused by coal fly ash (CFA) in alveolar macrophages (MH-S). The anti-inflammatory effect of PBE was evaluated by measuring the nitric oxide (NO) concentration after the onset of CFA-stimulated inflammation in MH-S cells. Polymerase chain reaction (PCR) was used to examine inflammatory gene expression. Western blotting and immunofluorescence (IF) studies were used to investigate the inflammatory mechanism in MH-S cells. According to our results, the PBE suppressed CFA-induced NO generation in the MH-S cells dose-dependently. Furthermore, PBE inhibited the proinflammatory mediators and cytokines generated by exposure to CFA, including cyclooxygenase 2 (COX-2) and inducible NO synthase (iNOS), interleukin (IL)-1β, IL-6, and tumor necrosis factor-alpha (TNF-α). Real-time PCR was also used to determine the inhibiting effect of the PBE on proinflammatory factors such as COX-2, iNOS, IL-1β, IL-6, and TNF-α. Moreover, Western blot was used to assess the effects of the PBE on the nuclear factor-kappa B (NF-κB) and mitogen-activated protein kinase (MAPK) pathways in the CFA-stimulated MH-S cells. The suppressive effect of the PBE on phosphorylated (p)-NF-κB translocation was also investigated using IF analysis. This study showed that the PBE suppressed the CFA-induced inflammation in the MH-S cells by suppressing the NF-κB and MAPK signaling pathways, which suggests its potential usefulness in reducing lung inflammation.

Ginseng (Panax ginseng Meyer) is a well-known herbal medicine that has been used for a long time in Korea to treat various diseases. This study investigated the in vitro and in vivo protective effects of red ginseng extract (RGE) and red ginseng oil (RGO). Liver injury was produced in BALB/c mice by 400 mg/kg of acetaminophen intraperitoneal injection. The antioxidant effects of RGE and RGO on the free radicals 2,2-diphenyl-1-picryl-hydrazyl-hydrate (DPPH) and 2,2 ′ -azino-bis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS) were measured. In addition, the hepatoprotective activities of RGE and RGO on liver markers, including alanine aminotransferase (ALT), aspartate aminotransferase (AST), and oxidative stress markers, including superoxide dismutase (SOD), catalase (CAT) enzyme activity, and 8-hydroxy-2-deoxyguanosine (8-OHdG) in serum and histopathological analysis, were evaluated. The protective effect of RGO on UV-induced phototoxicity was also evaluated in Balb/c 3T3 mouse fibroblast cell line. RGE and RGO effectively inhibited the radicals DPPH and ABTS compared with ascorbic acid and trolox, respectively. Moreover, RGE and RGO significantly decreased the liver enzyme (ALT and AST) levels, increased the antioxidant enzyme (SOD and CAT) levels, and decreased the DNA oxidation product (8-OHdG) content in mice serum. RGO also exhibited protective effect against UV irradiation compared with chlorpromazine hydrochloride, a known phototoxic drug, in Balb/c 3T3 cell line. RGE and RGO possess antioxidant and hepatoprotective properties in mice, and RGO exerts nonphototoxic activity in Balb/c 3T3 cells.

Recently bio-concrete is one of carbon dioxide (CO2) sequestration process which has suitability to ensure the biggest problem on global warming can be solved and this technology also has been discussed widely by researches. The application of this technology could provide a new sustainable product of building material in several kinds of product. In bio-concrete its synonym with the various type of bacteria and the most famous is Bacillus species. Thus, the mechanism of self-healing of bacterial concrete occurs through the metabolic conversion of calcium lactate to calcium carbonate in crack sealing. Encouragement by this technology it brings in parallel the green technologies which potential to adsorb CO2 to reduction of emission CO2 that main contributor on global warming. Besides that, CO2 that fills the atmosphere through the natural conversion and capturing which is biological, chemical and physical processes. The potential bio-concrete to sequestrate CO2 use concept carbonic anhydrase (CA) through the carbonation process and bacterial species is highlighted. The main objective of this paper is to review on carbon dioxide sequestration in bio-concrete and self-healing.

Duchesnea indica is known as false strawberry, is found in East Asia, and has numerous biological properties. The aim of this study was to investigate the anti-inflammatory effect of Duchesnea indica extract (DIE) on coal fly ash- (CFA-) induced inflammation in murine alveolar macrophages (MH-S). Following the induction of inflammation in MH-S cells by CFA, nitric oxide (NO) was measured to evaluate the anti-inflammatory property of DIE. Cell viability and inflammatory gene expression were analyzed using polymerase chain reaction (PCR). The inflammatory pathway in MH-S cells was determined via western blotting and immunofluorescence (IF) analysis. Finally, the major components of the DIE were identified and separated through ultra-performance liquid chromatography (UPLC) and gas chromatography-mass spectrometry (GC-MS) analysis. Our results showed that the DIE dose-dependently inhibited the CFA-induced NO production in MH-S cells. Moreover, the DIE could suppress the CFA-induced proinflammatory mediators, such as cyclooxygenase-2 (COX-2) and inducible nitric oxide synthase (iNOS). In addition, the inhibitory effect of the DIE on proinflammatory cytokines, including interleukin-6 (IL-6), IL-1β, and tumor necrosis factor-α (TNF-α), was detected with PCR. Moreover, the effect of the DIE on the nuclear factor-κB (NF-κB) pathway in CFA-activated MH-S cells was measured via western blotting. Furthermore, the inhibition of the phosphorylated NF-κB (p-NF-κB) translocation was analyzed using IF assay. The findings of this study indicated that the DIE potentially inhibited the CFA-induced inflammation by blocking the NF-κB inflammatory signaling pathway in MH-S cells and that the DIE might contain favorable anti-inflammatory compounds which may be effective in attenuating lung inflammation.

Amine-functionalized mesoporous silica nanoparticles (MSNPAs) are ideal carriers for oligonucleotides for gene delivery and RNA interference. This investigation examines the thermodynamic driving force of interactions of double-stranded (ds) RNA with MSNPAs as a function of RNA length (84 and 282 base pair) and particle pore diameter (nonporous, 2.7, 4.3, and 8.1 nm) using isothermal titration calorimetry, extending knowledge of solution-based nucleic acid-polycation interactions to RNA confined in nanopores. Adsorption of RNA follows a two-step process: endothermic interactions driven by entropic contribution from counterion (and water) release and an exothermic regime dominated by short-range interactions within the pores. Evidence of hindered pore loading of the longer RNA and pore size-dependent confinement of RNA in the MSPAs is provided from the relative contributions of the endothermic and exothermic regimes. Reduction of endothermic and exothermic enthalpies in both regimes in the presence of salt for both lengths of RNA indicates the significant contribution of short-range electrostatic interactions, whereas ΔH and ΔG values are consistent with conformation changes and desolvation of nucleic acids upon binding with polycations. Knowledge of the interactions between RNA and functionalized porous nanoparticles will aid in porous nanocarrier design suitable for functional RNA delivery.

The structural, electronic, vibrational and thermodynamic calculations were performed on one of the transition metal dichalcogenides such as molybdenum disulphide named bulk 2H-MoS 2, single layer 2H-MoS2 and 3R-MoS2 systems. The dispersion corrected density functional theory (DFT-D) has been employed for polytype layered 2H-MoS 2 and 3R-MoS2 morphologies. It is found that the electronic band gap in single layer 2H-MoS2 (1.658 eV) structure is found to be higher than that of bulk 2H-MoS2 (0.861 eV). The electronic band gap (1.416 eV) of 3R-MoS2 is found to be lesser than that of single layer 2H-MoS2 but greater than that of bulk 2H-MoS2. The vibrational properties were also performed using the supercell approach and calculated modes of vibration demonstrate an excellent agreement with available experimental results. In addition, thermodynamic potentials and specific heat at constant volume were also calculated on the basis of harmonic approximation to investigate their dependence on temperature.

Controllable tailoring of metal-free/carbon-based nanostructures tends an encouraging way to enhance the bifunctional activity of electrodes, but a great challenge owing to the sluggish kinetics of oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). Herein, a facile tempted-defects assisted fractionation strategy is presented to synthesize N, S, and O tri-doped metal-free catalyst (DE-TDAP). Due to this effective tempted-defects and heteroatoms interlinking in DE-TDAP, it delivers the lowest overpotential toward both the OER (346 mV) and HER (154 mV) at 10 mA cm−2. Remarkably, the DE-TDAP-electrode carries only a cell voltage of 1.81 V at 10 mA cm−2 for overall water splitting and long-term stability. Considerably, the density functional theory (DFT) calculation exposes that the tailored-defects in tri-doped interlinking could enhance bifunctional catalytic performance devising from lower Gibbs free energy of OER/HER intermediates on active sites. This struggle henceforth provides a perceptive understanding of the synergetic principles of heteroatom-interlinking-tailoring nanostructures in water splitting.

Background: small dense Low Density Lipoprotein (sdLDL) was the most atherogenic lipoprotein. Its influenced by internal and external factors including food consumption. Indonesian people mostly take a diet of high carbohydrate (CH) and fried food that believed to correlate with higher sdLDL level and predisposed to Coronary Heart Disease (CHD). There were 2 types of CH based on the processing ways, refined and non-refined CH.Objectives: The study’s purpose was to prove the correlation between different types of CH and fat intake with the sdlDL level in CHD patients.Methods: cross sectional in CHD patients hospitalized at Dr Kariadi hospital. The sdLDL and others lipid profile examined. The type and amount of CH and fat intakes per-day were collect from an interview using semi-quantitative food frequency questionnaire (SQFFQ) and food models. Pearson and Spearman test used for bivariate analysis. Confounding factors age, gender, physical activity, diabetes mellitus and smoking were analyzed. Variables with p

Mis-incorporation of modified nucleotides, such as 5-methyl-dCTP or 8-oxo-dGTP, in DNA can be detrimental to genomic integrity. MutT proteins are sanitization enzymes which function by hydrolyzing such nucleotides and regulating the pool of free nucleotides in the cytoplasm. Mycobacterial genomes have a set of four MutT homologs, namely, MutT1, MutT2, MutT3 and MutT4. Mycobacterial MutT2 hydrolyzes 5 m-dCTP and 8-oxo-dGTP to their respective monophosphate products. Additionally, it can hydrolyze canonical nucleotides dCTP and CTP, with a suggested role in sustaining their optimal levels in the nucleotide pool. The structures of M. smegmatis MutT2 and its complexes with cytosine derivatives have been determined at resolutions ranging from 1.10 A to 1.73 A. The apo enzyme and its complexes with products (dCMP, CMP and 5 m-dCMP) crystallize in space group P21212, while those involving substrates (dCTP, CTP and 5 m-dCTP) crystallize in space group P21. The molecule takes an α/β/α sandwich fold arrangement, as observed in other MutT homologs. The nucleoside moiety of the ligands is similarly located in all the complexes, while the location of the remaining tail exhibits variability. This is the first report of a MutT2-type protein in complex with ligands. A critical interaction involving Asp116 confers the specificity of the enzyme towards cytosine moieties. A conserved set of enzyme-ligand interactions along with concerted movements of important water molecules provide insights into the mechanism of action.

A successful approach to the development of tailored cutting tool materials requires the development of innovative concepts at each step of manufacturing, from the material design, synthesis of composite powders, to their processing and sintering. In this paper, a computational design approach is applied in the development of reinforced ceramic-based cutting tool inserts with tailored structural and thermal properties. Several potential filler materials are considered at the material design stage for the improvement of structural and thermal properties of a selected matrix material. Properties, such as an improved thermal conductivity and reduced coefficient of thermal expansion are essential for an effective cutting tool insert to absorb thermal shock at varying temperatures. In addition, structural properties such as elastic modulus have to be maintained within a moderate range. A mean-field homogenization theory and effective medium approximation using an in-house code are applied for predicting potential optimum structural and thermal properties for the required application. This is done by considering the effect of inclusions as a function of volume fraction and particle size in the ceramic base matrix. Single inclusion composites such as alumina-silicon (Al2O3-SiC) and alumina-cubic boron nitride (Al2O3-cBN) as well as hybrid composite such as alumina-silicon-cubic boron nitride (Al2O3-SiC-cBN) are developed using the Spark Plasma Sintering (SPS) process in line with the designed range of filler size and volume fraction to validate the computational results. It is found that the computational material design approach is precise enough in predicting the target properties of a designed hybrid composite material for cutting tool inserts.

Natural bond orbital (NBO) analysis obtained from density functional theory (DFT) calculations on the intermediates and transition states in the ambiphilic metal–ligand activation/concerted metalation deprotonation (AMLA/CMD) mechanism for the cyclopalladation reaction of N,N-dimethylbenzylamine with palladium acetate shows the agostic, syndetic (π or σ-electron density from the ring that assists the agostic donation), and backbonding orbital overlaps involved. The analysis shows that these components are absent for the anagostic intermediate but progressively increase in going from the anagostic/agostic transition state to the agostic intermediate and then to the agostic/cyclopalladate transition state. For the all-important agostic/cyclopalladate transition state, agostic donation is very large [NBO E(2) total, 152.3 kcal mol–1], the syndetic π-donations total over half of this at 106.3 kcal mol–1 with the overlap forming in close proximity to the carbon where palladation occurs, and there is the emerge...

A computational material design approach is applied to propose a novel ceramic material for direct-bonded copper (DBC) substrate with enhanced thermal and structural performance. The material design inherently consists of many competing requirements that require careful decisions regarding key trade-offs in terms of material composition, inclusion size, shape, and distribution to achieve the target properties. The alumina-silicon (Al2O3-SiC) composite, as compared to commercial alumina, used in DBC is found to be the most suitable design among other candidates with improved thermal and structural properties. In order to study the performance characteristics and the effects of the new ceramic composite with improved properties in terms of structural behavior and fatigue life of the DBC substrate, the normal working and extreme thermal cycling conditions were simulated and analyzed using finite element method. The temperature, strain, and localized stress distribution within the substrate at a steady-state condition were analyzed, and the improved Coffin–Manson law was used to calculate the fatigue life of the substrate under extreme thermal cycling conditions. The proposed Al2O3-SiC composite is found to be more robust than the commercial alumina as DBC substrates considering the thermal–mechanical performance. The fatigue life cycle of the DBC substrate with the proposed material is predicted to be about two times longer than the commercial alumina DBC ceramic under transient thermal cycling test.

Structural, spectroscopic, QTAIM and NBO analysis results obtained from disperson-corrected density functional theory (DFT-D) calculations on the agostic intermediate [PdCl2(1-tetralone oxime)] (1) show that both agostic C Hσ and syndetic C Cπ donations are effected by electronic substituents on the aromatic ring. Changing the C5-substituent in 1 to σ-electron withdrawing SO2Cl unexpectidly increases both the agostic and π-donations; π-electron withdrawing N2PO(OEt)2 increases the agostic donation but the π-donation is replaced by C8 to Pd covalency; σ-electron donating B(OH)3− gives similar agostic donation to H but the syndetic π-donation increases markedly; π-electron donating S− reduces the agostic donation almost to zero and the syndetic π-donation turns to Pd to C8 covalency. For (N) OMe ligand [PdCl2(1-tetralone imine)] agostic complex (7), σ-electron withdrawing SO2Cl at C5 shows similar agostic and π-donations to the (N) OH analogue; π-electron withdrawing N2PO(OEt)2 changes 7 to an anagostic complex; σ-electron donating B(OH)3− produces less syndetic π-donation than in the (N) OH analogue and π-electron donating S− reduces the agostic donation much less than the (N) OH analogue but retains the Pd C8 covalency arising from carbon based orbitals. For the σ and π-electron withdrawing N N+ BF4− substituent, Pd C8 covalency arises from metal based orbitals.

This study evaluates the chemistry, kinetics, and mass transfer aspects of the removal of NO and SO2 simultaneously from flue gas induced by the combined heat and Fe2+ activation of aqueous persulfate. The work involves experimental studies and the development of a mathematical model utilizing a comprehensive reaction scheme for detailed process evaluation, and to validate the results of an experimental study at 30–70 °C, which demonstrated that both SO2 and Fe2+ improved NO removal, while the SO2 is almost completely removed. The model was used to correlate experimental data, predict reaction species and nitrogen-sulfur (N-S) product concentrations, to obtain new kinetic data, and to estimate mass transfer coefficient (KLa) for NO and SO2 at different temperatures. The model percent conversion results appear to fit the data remarkably well for both NO and SO2 in the temperature range of 30–70 °C. The conversions ranged from 43.2 to 76.5% and 98.9 to 98.1% for NO and SO2, respectively, in the 30–70 °C range. The model predictions at the higher temperature of 90 °C were 90.0 and 97.4% for NO and SO2, respectively. The model also predicted decrease in KLa for SO2 of 1.097 × 10−4 to 8.88 × 10−5 s−1 (30–90 °C) and decrease in KLa for NO of 4.79 × 10−2 to 3.67 × 10−2 s−1 (30–50 °C) but increase of 4.36 × 10−2 to 4.90 × 10−2 s−1 at higher temperatures (70–90 °C). This emerging sulfate-radical-based process could be applied to the treatment of flue gases from combustion sources.

Objectives The aim of this study is to elucidate the possible mechanism of neurotoxic effect of acrylamide (AA) applied during pregnancy on fetal brain development and to show the effect of N-acetylcysteine (NAC) on AA toxicity. Materials and methods Four groups were formed with 9 pregnant rats each as control (C), acrylamide (AA), N-acetylcysteine (NAC), acrylamide plus N-acetylcysteine (AA plus NAC) groups. Caesarian section was implemented on the 20th day of pregnancy. Malondialdehyde (MDA), reduced glutathione (GSH), glutathione peroxidase (GSH-Px), superoxide dismutase (SOD), catalase (CAT) and Brain-derived neurotrophic factor (BDNF) levels were analyzed and histopathologic examinations were performed in brain tissues of the fetuses. Results Our data indicated that AA caused necrotic death and hemorrhagic damages in fetal brain tissue with decreasing BNDF levels and increasing oxidative stress. N-acetylcysteine prevented the toxic effects of its on fetal brain (p Conclusion Our study indicated that acrylamide has toxic effects in the fetal brain and N-acetylcysteine prevents its toxic effect.

Thermally sprayed copper and copper alloy coatings are among the most widely used coating materials for several industrial and medical applications to serve various functions such as corrosion resistance, wear resistance and antibacterial coating applications. In the present study, wear behavior of twin arc spray Cu, Cu 4%Sn (tin bronze), Cu 17%Ni 10%Zn (German silver) and Cu 17%Al 1%Fe (aluminum bronze) coatings is investigated experimentally. Wear tests were conducted using ball-on-disk configuration against a 440C stainless steel ball as a counterface. The effect of normal load on the coefficient of friction and wear behavior was investigated. SEM and 3D optical profilometry were used to characterize the coatings in terms of morphology and surface roughness. It is observed that copper coatings with aluminum and tin bronzes have high wear resistance and low coefficient of friction among the tested coatings, mainly due to their high hardness and coherent splats. It was also found that wear rate increases with the normal load.

A two-year field experiment was conducted to elucidate the residual and cumulative boron (B) requirements for cotton and wheat crops. For the first time, cotton was sown in randomized complete bloc...

Thermodynamic stability of the hydrogenated carbon nanotubes has been explored in the chemisorption limit. Statistical physics and density functional theory calculations have been used to predict hydrogen release temperatures at standard pressure in zigzag and armchair carbon nanotubes. It is found that hydrogen release temperatures decrease with increase in diameters of hydrogenated zigzag carbon nanotubes (CNTs) but opposite trend is noted in armchair CNTs at standard pressure of 1 bar. The smaller diameter hydrogenated zigzag CNTs have large values of hydrogen release temperature due to the stability of C H bonds. The vibrational density of states for hydrogenated carbon nanotubes have been calculated to confirm the C H stretching mode caused by sp3 hybridization.

The use of advanced oxidation processes (AOPs) to integrate flue gas treatments for SO2, NOx and Hg0 into a single process unit is rapidly gaining research attention. AOPs are processes that rely on the generation of mainly the hydroxyl radical. This work evaluates the effectiveness of the simultaneous removal of NO and SO2 from flue gas utilizing AOP induced by the combined heat and Fe2+ activation of aqueous persulfate, and elucidates the reaction pathways. The results indicated that both SO2 in the flue gas and Fe2+ in solution improved NO removal, while the SO2 is almost completely removed. Increased temperature led to increase in NO removal in the absence and presence of both Fe2+ and SO2, and in the absence of either SO2 or Fe2+, but the enhanced NO removal due to the presence of SO2 alone dominated at all temperatures. The removal of NO increased from 77.5% at 30 °C to 80.5% and 82.3% at 50 °C and 70 °C in the presence of SO2 alone, and from 35.3% to 62.7% and 81.2%, respectively, in the presence of Fe2+ alone. However, in the presence of both SO2 and Fe2+, NO conversion is 46.2% at 30 °C, increased only slightly to 48.2% at 50 °C; but sharply increased to 78.7% at 70 °C compared to 63.9% for persulfate-only activation. Results suggest NO removal in the presence of SO2 is equally effective by heat-only or heat-Fe2+ activation as the temperature increases. The results should be useful for future developments of advanced oxidation processes for flue gas treatments.

In this study in-situ polymerization technique is used to prepare styrene monomer and natural fibres like rice husk (RH), wheat husk (WH), mustard husk (MH) reinforced composites. Three different sizes i.e. 250-355 micron, 355-500 micron, 500-710 micron and three different loading i.e. 5%, 10% and 15% were used to study the mechanical behaviour of these composites. The synthesized polymer is injected to prepare the specimen for different mechanical tests like tensile test, flexural strength test etc. The morphology of the fractured specimen is studied using the SEM micrographs. The results have shown an improvement in the tensile strength and flexural strength as compared to unfilled polystyrene.

The reaction of TPypA (tris(2-pyridylmethyl)amine) and Fe(BF4)2 and sodium nitraniIate (Na21NO2) or Mn(O2CMe)2 with chloranilic acid (H21Cl) respectively forms [FeIII(TPyA)1NO2]2O and MnII(TPyA)1Cl, respectively. The structures of these 7-coordinate compounds have been determined. The former is a dinuclear FeIII compound possessing equivalent Fe(III) sites, and the latter forms a 1-D zigzag chain based upon the two bridging 1NO22− ions. The isomer shift and quadrupole splitting of the 57Fe Mossbauer spectra of [Fe(TPyA)1NO2]2O are consistent binuclear seven-coordinate high-spin FeIII state. Below 35 K a single quadrupole doublet split onto two doublets of equal intensities and equal isomer shifts as a result of structural non-equivalency of two iron sites within a dimer. The magnetic properties of [FeIII(TPyA)1NO2]2O can be fit the a homonuclear S = 5/2 ± 5/2 dinuclear spin model with strong intradimer antiferromagnetic coupling of J/kB = −146 K (−101 cm−1) and g = 2.00, and interdimer coupling of θ = −5 K (H = −2JSa·Sb). MnII(TPyA)1Cl can be fit the a homonuclear S = 5/2 1-D Fisher chain expression with weak intrachain antiferromagnetic coupling with J/kB = −0.33 K (−0.23 cm−1) and g = 2.06.

Thin films of copper nitride (Cu3N) were successfully synthesized by thermal evaporation method. The Cu powder was evaporated on glass substrate ina horizontal glass tube furnace having central temperature 1000 °C under a vacuum of 10−2 m Torr for 25 mints. After evaporation of Cu powder, the temperature of tube furnace was set as 300 °C and nitrogen gas was flown into a tube furnace at a rate of 100 sccm for different time durations of 2–8 h respectively. XRD data demonstrated that only one XRD peak (53.916°) of Cu3N phase was observed for sample prepared using nitrogen gas flow time duration 2 h. But as we increased the time duration for nitrogen flow, three diffraction peaks at 2theta 23.005°, 32.9° and 38.228° were observed, which are related due to the (100), (111) and (200) planes of Copper Nitride. The intensity of Cu3N related diffraction peaks was found to be increased with increasing the time duration which suggested that good crystal quality was observed in the sample having the time duration of 8 h. We argued that for large time durations of nitrogen gas flow, the surface diffusion of the adatom is increased causes the nitrogen atoms react with free Cu atoms to form Cu3N thin films. Raman spectroscopy data demonstrated peaks of Cu3N structure at 487 and 608 cm−1 for samples prepared using 6 and 8 h time duration. SEM data further confirmed our XRD and Raman data that sample prepared using 8 h time duration has best crystal quality. The XPS and FTIR measurements were also performed on 8 h annealed sample to further justified the presence of Cu3N structure.