GC-MS,LC-MS/MS,Docking and Molecular Dynamics Approaches to Identify Potential SARS-CoV-2 3-Chymotrypsin-Like Protease Inhibitors from Zingiber officinale Roscoe

This study aims to identify and isolate the secondary metabolites of Zingiber officinale using GC-MS, preparative TLC, and LC-MS/MS methods, to evaluate the inhibitory potency on SARS-CoV-2 3 chymotrypsin-like protease enzyme, as well as to study the molecular interaction and stability by using docking and molecular dynamics simulations. GC-MS analysis suggested for the isolation of terpenoids compounds as major compounds on methanol extract of pseudostems and rhizomes. Isolation and LC-MS/MS analysis identified 5-hydro-7, 8, 2′-trimethoxyflavanone (9), (E)-hexadecyl-ferulate (1), isocyperol (2), N-isobutyl-(2E,4E)-octadecadienamide (3), and nootkatone (4) from the rhizome extract, as well as from the leaves extract with the absence of 9. Three known steroid compounds, i.e., spinasterone (7), spinasterol (8), and 24-methylcholesta-7-en-3β-on (6), were further identified from the pseudostem extract. Molecular docking showed that steroids compounds 7, 8, and 6 have lower predictive binding energies (MMGBSA) than other metabolites with binding energy of −87.91, −78.11, and −68.80 kcal/mole, respectively. Further characterization on the single isolated compound by NMR showed that 6 was identified and possessed 75% inhibitory activity on SARS-CoV-2 3CL protease enzyme that was slightly different with the positive control GC376 (77%). MD simulations showed the complex stability with compound 6 during 100 ns simulation time.     

Microreactor for the Catalytic Partial Oxidation of Methane

Fixed-bed reactors for the partial oxidation of methane to produce synthetic gas still pose hot-spot problems. An alternative reactor, which is known as the shell-and-tube-typed microreactor, has been developed to resolve these problems. The microreactor consists of a 1 cm outside-diameter, 0.8 cm inside-diameter and 11 cm length tube, and a 1.8 cm inside-diameter shell. The tube is made of dense alumina and the shell is made of quartz. Two different methods dip and spray coating were performed to line the tube side with the LaNixOy catalyst. Combustion and reforming reactions take place simultaneously in this reactor. Methane is oxidized in the tube side to produce flue gases (CO2 and H2O) which flow counter-currently and react with the remaining methane in the shell side to yield synthesis gas. The methane conversion using the higher-loading catalyst spray-coated tube reaches 97% at 700℃, whereas that using the lower-loading catalyst dip-coated tube reaches only 7.78% because of poor adhesion between the catalyst film and the alumina support. The turnover frequencies (TOFs) using the catalyst spray-and dip-coated tubes are 5.75×10-5 and 2.24×10-5 mol/gcat·s, respectively. The catalyst spray-coated at 900℃provides better performance than that at 1250℃because sintering reduces the surface-area. The hydrogen to carbon monoxide ratio produced by the spray-coated catalyst is greater than the stoichiometric ratio, which is caused by carbon deposition through methane cracking or the Boudouard reaction.     

Biological monitoring of solar UV radiation at 17 sites in Asia, Europe and South America from 1999 to 2004

A small and robust dosimeter for determining the biologically effective dose of ambient UV radiation has been developed using UV-sensitive mutant spores of Bacillus subtilis strain TKJ6312. A membrane filter with four spots of the spores was snapped to a slide mount. The slide was wrapped and covered with two or more layers of polyethylene sheet to protect the sample from rain and snow and to reduce monthly-cumulative doses within the measurable range. From 1999, monthly data were collected at 17 sites for more than 1 year, and data for 4 to 6 consecutive years were obtained from 12 sites. Yearly total values of the spore inactivation dose (SID) ranged from 3200 at subarctic Oulu to 96000 at tropical Denpasar, and the mean yearly values of SID exhibited an exponential dependence on latitude in both hemispheres with a doubling for about every 14 degrees of change. During the observation period, increasing trends of UV doses have been observed at all sites with more than 5 years of data available. Year-to-year variations at high and middle latitude sites are considered due mostly to climatic variation. At three tropical sites, negative correlations between the yearly doses and the column ozone amounts were observed. The results verified the applicability of spore dosimetry for global and long-time monitoring of solar UV radiation, in particular at tropical sites where no monitoring is taking place.     

Effect of sensor proximity over the non-conformal hologram plane in the near-field acoustical holography based on the inverse boundary element method

Near-field acoustical holography (NAH) is a useful tool for the identification and visualization of vibro-acoustic sources. In particular, NAH can be applied to many practical sources having irregular shape if the inverse boundary element method (BEM) is employed. Once the relation between the source and the radiated field is defined in the transfer matrix modeled by the BEM, the reconstruction of acoustic parameters on the source surface can be conducted by the multiplication of the inverse transfer matrix and the field data measured over the hologram surface. The usual practical way to measure the field data radiated from an irregular shaped source is to adopt a regular hologram surface, which can be a flat, cylindrical, or spherical shape, for the measurement ease. Then, the hologram surface is not conformal to the source surface and the resulting transfer matrix becomes further ill-posed than the conformal case. To investigate the effect of sensor proximity and distance variability on the reconstruction error, simulation and measurement were conducted for an interior problem comprised of a parallelepiped rigid box with a vibrating end plate. Flat, tilted, and randomized hologram surfaces were adopted in the test. It was shown that the reconstruction error is greatly affected by the conditioning of transfer matrix which is related to the positioning of sensor. To improve the reconstruction accuracy, an investigation was conducted to find proper field points among a large number of overdetermined field points. The number of field data was reduced gradually under various reduction schemes using condition number, effective independence value, and sensor distance. It was demonstrated that the quality of reconstruction result given by the non-conformal measurement can be improved by removing some field points that contribute to the ill-conditioning of the inverse problem. A small improvement of the reconstruction accuracy was observed by reducing the field points in the overdetermined situation. However, further reduction of the field points, becoming an underdetermined situation, yielded a drastic improvement of the reconstruction accuracy.     

Surface nanostructuring of kevlar fibers by atmospheric pressure plasma‐induced graft polymerization for multifunctional protective clothing

Atmospheric plasma‐induced graft polymerization was employed successfully to generate free radical on the surface of Kevlar® (poly‐(p‐phenylene terephthalamide or PPTA), and to initiate and control graft polymerization of cationic antimicrobial precursors diallyldimethylammonium chloride (DADMAC) or 3‐(trimethoxysilyl)propyl‐dimethyloctadecyl ammonium chloride (TMS) onto the fabric surface, which eliminates the need for separate processes that may involve thermal energy or UV irradiation. It was demonstrated that when the radiofrequency of the plasma power was 400 W, the radical density generated on the surface was 10¹⁵ to 10¹⁶ radicals cm^?2, which were enough to generate a poly‐DADMAC or poly‐TMS with surface charge of at least 2 × 10¹⁷ N⁺/cm², which is the minimum threshold for an effective cationic biocidal surface. In both cases, the grafted polymers were characterized and confirmed using SEM, FTIR, and XPS. The antimicrobial activity was measured using the AATCC Test Method 100, which showed that at least 3‐log reduction of bacteria colonies was achieved in the case of grafted poly‐DADMAC or grafted poly‐TMS on Kevlar®. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012     

Double-Layer Micro Porous Media Burner from Lean to Rich Fuel Mixture: Analysis of Entropy Generation and Exergy Efficiency

Porous media burner (PMB) is widely used in a variety of practical systems, including heat exchangers, gas propulsion, reactors, and radiant burner combustion. However, thorough evaluations of the performance of the PMB based on the usefulness of entropy generation, thermal and exergy efficiency aspects are still lacking. In this work, the concept of a double-layer micro PMB with a 23 mm cylindrical shape burner was experimentally demonstrated. The PMB was constructed based on the utilization of premixed butane-air combustion which consists of an alumina and porcelain foam. The tests were designed to cover lean to rich combustion with equivalence ratios ranging from ϕ = 0.6 to ϕ = 1.2. It was found that the maximum thermal and exergy efficiency was obtained at ϕ = 1.2 while the lowest thermal and exergy efficiency was found at ϕ = 0.8. Furthermore, the findings also indicated that the total entropy generation, energy loss, and exergy destroyed yield the lowest values at ϕ = 1.0 with 0.0048 W/K, 98.084 W, and 1.456 W, respectively. These values can be stated to be the suitable operating conditions of the PMB. The findings provided useful information on the design and operation in a double-layer PMB.     

Integration of Phase Change Material in the Design of Solar Concentrator-Based Water Heating System

Indonesia has been blessed with excellent solar heat distribution, which can be used as renewable energy to heat water. Various technologies have been developed to utilize these inexhaustible thermodynamic resources, in the form of photons arrays, converted into concentrated heat for daily use, i.e., solar water heater. This renewable-based water heating system can provide significant energy efficiency, benefit the environment, and reduce energy use costs. This experimental study attempts to harvest the energy from the sun using a cylindrical through collector (CTC) type solar concentrator. The CTC was made of the solar reflective film (SRF) affixed to concentrator collector surfaces which was then mounted on an adjustable angle frame of the concentrator collector support. The heat generated from the concentrator was stored in water, and phase change material is embedded in the system to retain the heat longer. The research was carried out in Langsa City, Aceh, Indonesia. The results showed that water heaters using CTC systems could produce 16 L of hot water retained at 40–60 °C for four hours. With the addition of beeswax, the water temperature of the same capacity can be maintained at 40–60 °C for around 5 h. This technology demonstrated an excellent result that produces as much as 60 L of water per day, increasing solar thermal energy efficiency. This technology presented a great potential for replication or even for further development on an industrial scale.     

An uncertain chromatic number of an uncertain graph based on $$\alpha $$-cut coloring

An uncertain graph is a graph in which the edges are indeterminate and the existence of edges are characterized by belief degrees which are uncertain measures. This paper aims to bring graph coloring and uncertainty theory together. A new approach for uncertain graph coloring based on an \(\alpha \)-cut of an uncertain graph is introduced in this paper. Firstly, the concept of \(\alpha \)-cut of uncertain graph is given and some of its properties are explored. By means of \(\alpha \)-cut coloring, we get an \(\alpha \)-cut chromatic number and examine some of its properties as well. Then, a fact that every \(\alpha \)-cut chromatic number may be a chromatic number of an uncertain graph is obtained, and the concept of uncertain chromatic set is introduced. In addition, an uncertain chromatic algorithm is constructed. Finally, a real-life decision making problem is given to illustrate the application of the uncertain chromatic set and the effectiveness of the uncertain chromatic algorithm.