GC-MS Analysis and Biomedical Therapy of Oil from n-Hexane Fraction of Scutellaria edelbergii Rech. f.: In Vitro,In Vivo,and In Silico Approach

The current study aimed to explore the crude oils obtained from the n-hexane fraction of Scutellaria edelbergii and further analyzed, for the first time, for their chemical composition, in vitro antibacterial, antifungal, antioxidant, antidiabetic, and in vivo anti-inflammatory, and analgesic activities. For the phytochemical composition, the oils proceeded to gas chromatography-mass spectrometry (GC-MS) analysis and from the resultant chromatogram, 42 bioactive constituents were identified. Among them, the major components were linoleic acid ethyl ester (19.67%) followed by ethyl oleate (18.45%), linolenic acid methyl ester (11.67%), and palmitic acid ethyl ester (11.01%). Tetrazolium 96-well plate MTT assay and agar-well diffusion methods were used to evaluate the isolated oil for its minimum inhibitory concentrations (MIC), minimum bactericidal concentration (MBC), half-maximal inhibitory concentrations (IC₅₀), and zone of inhibitions that could determine the potential antimicrobial efficacy’s. Substantial antibacterial activities were observed against the clinical isolates comprising of three Gram-negative bacteria, viz., Escherichia coli, Klebsiella pneumoniae, and Pseudomonas aeruginosa, and one Gram-positive bacterial strain, Enterococcus faecalis. The oils were also effective against Candida albicans and Fusarium oxysporum when evaluated for their antifungal potential. Moreover, significant antioxidant potential with IC₅₀ values of 136.4 and 161.5 µg/mL for extracted oil was evaluated through DPPH (1,1-Diphenyl-2-picryl-hydrazyl) and ABTS assays compared with standard ascorbic acid where the IC50 values were 44.49 and 67.78 µg/mL, respectively, against the tested free radicals. The oils was also potent, inhibiting the α-glucosidase (IC50 5.45 ± 0.42 µg/mL) enzyme compared to the standard. Anti-glucosidase potential was visualized through molecular docking simulations where ten compounds of the oil were found to be the leading inhibitors of the selected enzyme based on interactions, binding energy, and binding affinity. The oil was found to be an effective anti-inflammatory (61%) agent compared with diclofenac sodium (70.92%) via the carrageenan-induced assay. An appreciable (48.28%) analgesic activity in correlation with the standard aspirin was observed through the acetic acid-induced writhing bioassay. The oil from the n-hexane fraction of S. edelbergii contained valuable bioactive constituents that can act as in vitro biological and in vivo pharmacological agents. However, further studies are needed to uncover individual responsible compounds of the observed biological potentials which would be helpful in devising novel drugs.     

Macroscopic Behavior of Swelling Porous Media Derived from Micromechanical Analysis

A new macroscopic model for swelling porous media is derived based on a rigorous upscaling of the microstructure. Considering that at the microscale the medium is composed of a charged solid phase (e.g. clay platelets, bio-macromolecules, colloidal or polymeric particles) saturated by a binary monovalent aqueous electrolyte solution composed of cations + and anions – of an entirely dissociated salt, the homogenization procedure is applied to scale up the pore-scale model. The microscopic system of governing equations consists of the local electro-hydrodynamics governing the movement of the electrolyte solution (Poisson–Boltzmann coupled with a modified Stokes problem including an additional body force of Coulombic interaction) together with modified convection–diffusion equations governing cations and anions transport. This system is coupled with the elasticity problem which describes the deformation of the solid phase. Novel forms of Terzaghi's effective principle and Darcy's law are derived including the effects of swelling pressure and osmotically induced flows, respectively. Micromechanical representations are provided for the macroscopic physico-chemical quantities.     

Extension of Operational Matrix Technique for the Solution of Nonlinear System of Caputo Fractional Differential Equations Subjected to Integral Type Boundary Constrains

We extend the operational matrices technique to design a spectral solution of nonlinear fractional differential equations (FDEs). The derivative is considered in the Caputo sense. The coupled system of two FDEs is considered, subjected to more generalized integral type conditions. The basis of our approach is the most simple orthogonal polynomials. Several new matrices are derived that have strong applications in the development of computational scheme. The scheme presented in this article is able to convert nonlinear coupled system of FDEs to an equivalent S-lvester type algebraic equation. The solution of the algebraic structure is constructed by converting the system into a complex Schur form. After conversion, the solution of the resultant triangular system is obtained and transformed back to construct the solution of algebraic structure. The solution of the matrix equation is used to construct the solution of the related nonlinear system of FDEs. The convergence of the proposed method is investigated analytically and verified experimentally through a wide variety of test problems.     

Fluorometric determination of nitrite with acetaminophen

A simple, sensitive and selective fluorometric method for the determination of nitrite is described. The fluorometric determination is based on the reaction of acetaminophen with nitrite in an acidic medium followed by alkalinization of the reaction which yields a highly fluorescent product, exhibit (λ_ex/λ_em=325/430 nm). The optimum experimental conditions were studied. The fluorescene intensity is linear over a nitrite concentration of 0.08–1.3 μg/ml with a detection limit of 2.7 ng/ml (S/N=3). The effect of interferences from various metals/ions were studied. The proposed method is accurate, reproducible, shows satisfactory results and compares successfully with the reference method.     

Robustness of the R / S Statistic for Fractional Stable Noises

The R / S statistic is used to detect long-range dependence in a time series and to estimate its intensity. One of its virtues is robustness against different distributions. We show here that the R / S statistic continues to be robust if the time series is a moving average with long-range dependence with innovations that are in the domain of attraction of an infinite variance stable process.     

Butanol–acetone mixture blended with cottonseed biodiesel: Spray characteristics evolution,combustion characteristics,engine performance and emission

Increasing energy demands and more stringent legislation relating to pollutants such as nitrogen oxide (NO_x) and carbon monoxide (CO) from fossil fuels have accelerated the use of biofuels such as biodiesel. However, current limitations of using biodiesel as an alternative fuel for CI engines include a higher viscosity and higher NO_x emissions. This is a major issue that could be improved by blending biodiesel with alcohols. This paper investigates the effect of a butanol–acetone mixture (BA) as an additive blended with biodiesel to improve the latter's properties. Macroscopic spray characteristics (spray penetration, spray cone angle and spray volume) were measured in constant volume vessel (CVV) at two injection pressures. A high-speed camera was used to record spray images. The spray's edge was determined using an automatic threshold calculation algorithm to locate the spray outline (edge) from the binary images. In addition, an engine test was carried out experimentally on a single-cylinder diesel engine. The engine's performance was measured using in-cylinder pressure, brake power (BP) and specific fuel consumption (SFC). Emission characteristics NO_x, CO and UHC were also measured. Neat biodiesel and three blends of biodiesel with up to 30% added BA were tested. The experimental data were analyzed via ANOVA to evaluate whether variations in parameters due to the different fuels were significant. The results showed that BA can enhance the spray characteristics of biodiesel by increasing both the spray penetration length and the contact surface area, thereby improving air–fuel mixing. The peak in-cylinder pressure for 30% BA was comparable to neat diesel and higher than that of neat biodiesel. Brake power (BP) was slightly improved for 10% BA at an engine speed of 2000 rpm while SFC was not significantly higher for any of the BA-biodiesel blends because of the smaller heating value of BA. Comparing the effect on emissions of adding BA to biodiesel, increasing the amount of BA reduced NO_x and CO (7%) and (40%) respectively compared to neat biodiesel, but increased UHC.     

Path Properties of a Generalized Fractional Brownian Motion

Journal of Theoretical Probability - The generalized fractional Brownian motion is a Gaussian self-similar process whose increments are not necessarily stationary. It appears in applications as the...     

Communication: Thermal rectification in liquids by manipulating the solid-liquid interface

Thermal rectification, the origin of which lies in modifying the thermal resistance in a nonlinear manner, could significantly improve the thermal management of a wide range of nano-devices (both electronic and thermoelectric), thereby improving their efficiencies. Since rectification requires a material to be inhomogeneous, it has been typically associated with solids. However, the structure of solids is relatively difficult to manipulate, which makes the tuning of thermal rectification devices challenging. Since liquids are more amenable to tuning, this could open up new applications for thermal rectification. We use molecular dynamics simulations to demonstrate thermal rectification using liquid water. This is accomplished by creating an inhomogeneous water phase, either by changing the morphology of the surface in contact with the liquid or by imposing an arbitrary external force, which in practice could be through an electric or magnetic field. Our system consists of a bulk fluid that is confined in a reservoir that is bounded by two walls, one hot and the other cold. The interfacial (Kapitza) thermal resistance at the solid-fluid interface and the density gradient of the bulk fluid both influence the magnitude of the thermal rectification. However, we find that the role of the interfacial resistance is more prominent than the application of an external force on the bulk fluid.     

Platelet-Activating Factor (PAF) Antagonistic Activity of a New Biflavonoid from <em>Garcinia nervosa</em> var. <em>pubescens</em> King

The methanol extract of the leaves of Garcinia nervosa var. pubescens King, which showed strong inhibitory effects on platelet-activating factor (PAF) receptor binding, was subjected to bioassay-guided isolation to obtain a new biflavonoid, II-3,I-5, II-5,II-7,I-4',II-4'-hexahydroxy-(I-3,II-8)-flavonylflavanonol together with two known flavonoids, 6-methyl-4'-methoxyflavone and acacetin. The structures of the compounds were elucidated by spectroscopic methods. The compounds were evaluated for their ability to inhibit PAF receptor binding to rabbit platelets using ³H-PAF as a ligand. The biflavonoid and acacetin showed strong inhibition with IC₅₀ values of 28.0 and 20.4 μM, respectively. The results suggest that these compounds could be responsible for the strong PAF antagonistic activity of the plant.     

Two new triterpenoids from Zygophyllum eurypterum

Two new triterpenoids trivially named as atriplicoide A and B were isolated from the n-BuOH extract of the whole plant of Zygophyllum eurypterum. Based on EI-MS, IR, 1H- and 13C-NMR, and 2D-NMR (HMQC, HMBC, COSY and NOESY) data, the structures of the new compounds were determined as 30-carboxy-3beta,24-dihydroxy-urs-28,13beta-lactam-N-acetate (1) and 3beta,24-dihydroxyursan-28,13beta-olide (2).