Chemical Profiles and Pharmacological Properties with in Silico Studies on Elatostema papillosum Wedd

The current study attempted, for the first time, to qualitatively and quantitatively determine the phytochemical components of Elatostema papillosum methanol extract and their biological activities. The present study represents an effort to correlate our previously reported biological activities with a computational study, including molecular docking, and ADME/T (absorption, distribution, metabolism, and excretion/toxicity) analyses, to identify the phytochemicals that are potentially responsible for the antioxidant, antidepressant, anxiolytic, analgesic, and anti-inflammatory activities of this plant. In the gas chromatography-mass spectroscopy analysis, a total of 24 compounds were identified, seven of which were documented as being bioactive based on their binding affinities. These seven were subjected to molecular docking studies that were correlated with the pharmacological outcomes. Additionally, the ADME/T properties of these compounds were evaluated to determine their drug-like properties and toxicity levels. The seven selected, isolated compounds displayed favorable binding affinities to potassium channels, human serotonin receptor, cyclooxygenase-1 (COX-1), COX-2, nuclear factor (NF)-κB, and human peroxiredoxin 5 receptor proteins. Phytol acetate, and terpene compounds identified in E. papillosum displayed strong predictive binding affinities towards the human serotonin receptor. Furthermore, 3-trifluoroacetoxypentadecane showed a significant binding affinity for the KcsA potassium channel. Eicosanal showed the highest predicted binding affinity towards the human peroxiredoxin 5 receptor. All of these findings support the observed in vivo antidepressant and anxiolytic effects and the in vitro antioxidant effects observed for this extract. The identified compounds from E. papillosum showed the lowest binding affinities towards COX-1, COX-2, and NF-κB receptors, which indicated the inconsequential impacts of this extract against the activities of these three proteins. Overall, E. papillosum appears to be bioactive and could represent a potential source for the development of alternative medicines; however, further analytical experiments remain necessary.     

Use of liquid chromatography for separation and determination of carrier species associated with the synthesis of no carrier-added11C-labelled compounds determination of the specific activity of {11C} urea

An analytical technique using reversed-phase liquid chromatography has been developed for the determination of urea at quantities as low as 1 ng to quantitate the amount of non-labelled urea produced during the synthesis of no-carrier-added {¹¹C}urea starting from¹¹CN^–. As a result, the specific activity of the {¹¹C} urea thus prepared was calculated to be as high as 3.5±0.8 Ci/mol.Research supported in part by PHS Grant NINCDS 1 PO1 NS 15639.     

Effects of Nonionic and Mixed Cationic-Nonionic Micelles on the Rate of Alkaline Hydrolysis of 4-Nitrophthalimide

Pseudo-first-order rate constants (k_obs) for alkaline hydrolysis of 4-nitrophthalimide show a monotonic decrease with increase in [C₁₂E₂₃]_T (total concentration of Brij 35) at constant [CH₃CN] and [NaOH]. This micellar effect is explained in terms of a pseudophase micelle model. The rate of hydrolysis becomes too slow to monitor at [C₁₂E₂₃]_T≥0.03 M in the absence of cetyltrimethylammonium bromide (CTABr) and at [C₁₂E₂₃]_T≥0.04 M in the presence of 0.006–0.02 M CTABr at 0.01 M NaOH. The plots of k_obs versus [C₁₂E₂₃]_T show minima at 0.006 and 0.01 M CTABr, while such a minimum is not visible at 0.02 M CTABr.     

Comparative analysis of refrigerant performance between LPG and R134a under subtropical climate

Journal of Thermal Analysis and Calorimetry - In this investigation, a series of experiments were conducted to explore the effects of liquefied petroleum gas (LPG) mixture of 60% propane and 40%...     

The Multifunctional Role of Herbal Products in the Management of Diabetes and Obesity: A Comprehensive Review

Obesity and diabetes are the most demanding health problems today, and their prevalence, as well as comorbidities, is on the rise all over the world. As time goes on, both are becoming big issues that have a big impact on people’s lives. Diabetes is a metabolic and endocrine illness set apart by hyperglycemia and glucose narrow-mindedness because of insulin opposition. Heftiness is a typical, complex, and developing overall wellbeing worry that has for quite some time been connected to significant medical issues in individuals, all things considered. Because of the wide variety and low adverse effects, herbal products are an important hotspot for drug development. Synthetic compounds are not structurally diverse and lack drug-likeness properties. Thus, it is basic to keep on exploring herbal products as possible wellsprings of novel drugs. We conducted this review of the literature by searching Scopus, Science Direct, Elsevier, PubMed, and Web of Science databases. From 1990 until October 2021, research reports, review articles, and original research articles in English are presented. It provides top to bottom data and an examination of plant-inferred compounds that might be utilized against heftiness or potentially hostile to diabetes treatments. Our expanded comprehension of the systems of activity of phytogenic compounds, as an extra examination, could prompt the advancement of remedial methodologies for metabolic diseases. In clinical trials, a huge number of these food kinds or restorative plants, as well as their bioactive compounds, have been shown to be beneficial in the treatment of obesity.     

An Accurate Space–Time Pseudospectral Method for Solving Nonlinear Multi-Dimensional Heat Transfer Problems

In this paper, we consider the numerical solution of the nonlinear one- and two-dimensional heat transfer problems subject to the given initial conditions and linear Robin boundary conditions. We propose a pseudospectral scheme in both time and spatial discretizations for these problems. The discretization processes are constructed through the multi-variate interpolation of the desired solutions in terms of Chebyshev Gauss Lobbato collocation points. Operational matrices of differentiation are constructed via the tensor products for speeding up of the proposed numerical algorithms’ implementation. Some test problems are provided and the numerical simulations are illustrated to show the spectral accuracy in both space and time of the suggested scheme.     

Legendre spectral method for the fractional Bratu problem

In this paper, the Legendre spectral collocation method (LSCM) is applied for the solution of the fractional Bratu's equation. It shows the high accuracy and low computational cost of the LSCM compared with some other numerical methods. The fractional Bratu differential equation is transformed into a nonlinear system of algebraic equations for the unknown Legendre coefficients and solved with some spectral collocation methods. Some illustrative examples are also given to show the validity and applicability of this method, and the obtained results are compared with the existing studies to highlight its high efficiency and neglectable error.     

Molecular relaxations in ester‐terminated,amide‐based dendrimers

This study utilized Matrix Assisted Laser Desorption/Ionization Time‐of‐Flight Mass Spectrometry, Thermogravimetric Analysis, Differential Scanning Calorimetry, X‐Ray Diffraction, and Dielectric Analysis to assess the viscoelastic and structural properties of three generations of tert‐butyl and methyl ester, amide‐based dendrimers. The effect of generation number and functionality on glass‐transition temperatures and corresponding apparent activation energies, obtained via adherence to WLF behavior, were determined. Both were found to increase with increasing generation number and bulkiness of terminal functionalities. WLF constants, C₁ and C₂, allowed the determination of free volume, and thermal expansion coefficients, respectively. Secondary transitions, conforming to Arrhenius behavior, were also characterized and increased in temperature with generation number. The apparent activation energy was greater when the matrix was crystalline. Dielectric relaxation responses were analyzed to yield dielectric strengths of the molecular relaxations which increased with generation number and were comparable for both tert‐butyl and methyl esters in the glass‐transition region. Electrical properties of the dendrimers were dominated by ionic conductivity in the high temperature region. In order to unmask the glass transition, the data were treated in terms of the electric modulus. © 1999 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 37: 2025–2038, 1999     

Fuzzy chance-constrained data envelopment analysis: a structured literature review,current trends,and future directions

Fuzzy Optimization and Decision Making - Fuzzy data envelopment analysis (FDEA) is one of the most applicable approaches for performance assessment of peer decision making units under ambiguity...     

A New Approach for Solving a Class of Delay Fractional Partial Differential Equations

In this article, a new numerical approach has been proposed for solving a class of delay time-fractional partial differential equations. The approximate solutions of these equations are considered as linear combinations of Müntz–Legendre polynomials with unknown coefficients. Operational matrix of fractional differentiation is provided to accelerate computations of the proposed method. Using Padé approximation and two-sided Laplace transformations, the mentioned delay fractional partial differential equations will be transformed to a sequence of fractional partial differential equations without delay. The localization process is based on the space-time collocation in some appropriate points to reduce the fractional partial differential equations into the associated system of algebraic equations which can be solved by some robust iterative solvers. Some numerical examples are also given to confirm the accuracy of the presented numerical scheme. Our results approved decisive preference of the Müntz–Legendre polynomials with respect to the Legendre polynomials.