Impact of Altitudes and Habitats on Valerenic Acid,Total Phenolics,Flavonoids, Tannins,and Antioxidant Activity of <Emphasis Type="Italic">Valeriana jatamansi</Emphasis>

The changes in total phenolics, flavonoids, tannins, valerenic acid, and antioxidant activity were assessed in 25 populations of Valeriana jatamansi sampled from 1200 to 2775 m asl and four habitat types of Uttarakhand, West Himalaya. Significant (p?<?0.05) variations in total phenolics, flavonoids, valerenic acid, and antioxidant activity in aerial and root portions and across the populations were observed. Antioxidant activity measured by three in vitro antioxidant assays, i.e., 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic) (ABTS) radical scavenging, 2,2′-diphenyl-1-picryylhydrazyl (DPPH) free radical scavenging, and ferric-reducing antioxidant power (FRAP) assays, showed significant (p?<?0.05) differences across the populations. However, no clear pattern was found in phytochemicals across the altitudinal range. Among habitat types, (pine, oak, mixed forest, and grassy land), variation in phytochemical content and antioxidant activity were observed. Equal class ranking, neighbor-joining cluster analysis, and principal component analysis (PCA) identified Talwari, Jaberkhet, Manjkhali, and Khirshu populations as promising sources with higher phytochemicals and antioxidant activity. The results recommended that the identified populations with higher value of phytochemicals and antioxidants can be utilized for mass multiplication and breeding program to meet the domestic as well as commercial demand.     

Competitive adsorption isotherm modelling of heterocyclic nitrogenous compounds,pyridine and quinoline,onto granular activated carbon and bagasse fly ash

In the present study, simultaneous adsorption of quinoline and pyridine onto adsorbents such as granular activated carbon (GAC) and bagasse fly ash (BFA) from pyridine–quinoline binary aqueous solution was studied at various temperatures (288–318 K). Gathered equilibrium adsorption data were further analysed using various multicomponent competitive isotherm models such as non-modified and modified competitive Langmuir isotherms, extended-Langmuir isotherm, extended-Freundlich model, Sheindorf–Rebuhn–Sheintuch (SRS) model, and non-modified and modified competitive Redlich–Peterson isotherm model. It was observed that increase in pyridine concentration decreased the total adsorption yield and the individual adsorption yield for both the quinoline and pyridine for both the adsorbents GAC and BFA at all the temperatures studied. Identical trend was observed during the equilibrium uptake of pyridine on to GAC and BFA with an increase in quinoline concentration. The extended-Freundlich model satisfactorily represented the binary adsorption equilibrium data of quinoline and pyridine onto GAC and BFA.     

Boosting Electrochemical Water Oxidation with Metal Hydroxide Carbonate Templated Prussian Blue Analogues

The development of efficient and stable catalyst systems with low‐cost, abundant, and non‐toxic materials is the primary demand for electrochemical water oxidation. A unique method is reported for the syntheses of metal hydroxide carbonate templated Prussian blue analogues (PBAs) on carbon cloth and their outstanding water oxidation activities in alkaline medium. The best water oxidation activity is obtained with cobalt hydroxide carbonate templated t‐Co^II‐Co^III with an overpotential as low as 240 mV to reach a current density of 10 mA cm^?2. It produces constant current over 50 h in chronoamperometric measurements. Moreover, the catalysts outperform the activities of the PBAs prepared without any template and even the noble metal catalyst RuO₂. Spectroscopic and microscopic studies show that the PBAs are transformed into layered hydroxide–oxyhydroxide structures during electrochemical process and provide the active sites for the water oxidation.     

Copolymers of 2-hydroxyethyl methacrylate and alkyl methacrylates. I. Synthesis and characterization

Copolymerization of 2-hydroxyethyl methacrylate (HEMA) with ethyl methacrylate (EMA) and n-butyl methacrylate (BMA) was carried out in bulk at 70°C ± 1°C using 0.2% benzoyl peroxide as initiator in nitrogen atmosphere. Number average molecular weight (M _n) of the copolymers was determined by dynamic osmometry. Intrinsic viscosity [η] of HEMA-BMA copolymers was evaluated at 35°C in dimethyl formamide. These copolymers were also characterized by infrared spectroscopy and density measurements. Cohesive energy densities (CED) of these polymers were determined by observing their swelling behavior in different solvents. It was found that a decrease in alkyl methacrylate content resulted in an increase in the CED values of the copolymers.     

Separation of aromatic solvents from oil refinery reformates by a newly designed ionic liquid using gas chromatography with flame ionization detection

The aim of this study was to determine whether the new ionic liquid, N,N‐dimethyl‐2‐oxopyrrolidonium iodide, synthesized in our laboratory is a suitable solvent for the separation of aromatic components benzene, toluene, ethylbenzene, and xylenes from petroleum mixtures (reformates) in liquid–liquid extraction. In pursuance of the above aim, a method to extract all components of a mixture, containing four aromatic components simultaneously, was developed. A new ionic liquid and a previously used liquid were compared for their extraction abilities. These ionic liquids were, respectively, N,N‐dimethyl‐2‐oxopyrrolidinium iodide and 1‐ethyl‐3‐methyl imidazolium ethyl sulfate. The concentrations of each benzene, toluene, ethylbenzene, and xylenes component in the extract and raffinate phases were measured by gas chromatography with flame ionization detection as volume percent to determine the extraction ability of the ionic liquids. The results obtained for both the reformate samples and model mixtures indicated that the new ionic liquid was effective as an extracting solvent for the recovery of aromatic components from reformates. Also the analysis results, using gas chromatography with flame ionization detection, for the reformate samples were as good as the results obtained by a local oil refinery. The extraction results also show that the developed method is very suitable for the separation and analysis of aromatic components in reformates.     

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.     

Transition metal compatibilization of poly(vinylamine) and poly(ethylene imine)

Poly(vinylamine), PVA, complexes with cobalt chloride hexahydrate exhibit a 45 °C enhancement in the glass‐transition temperature per mol % of the d‐block metal cation. Poly(ethylene imine), PEI, complexes with CoCl₂(H₂O)₆ exhibit a 20 °C enhancement in T_g per mol % Co²⁺. Since the basicities of primary and secondary amines are comparable (i.e., pK_b,PVA ≈ 3.34 vs. pK_b,PEI ≈ 3.27) and the rates at which each polymeric ligand displaces waters of hydration in the coordination sphere of Co²⁺ are similar, transition metal compatibilization is operative in blends of both polymers with CoCl₂(H₂O)₆. These two polymers are immiscible in the absence of the inorganic component. Infrared spectroscopy suggests that nitrogen lone pairs in PVA and PEI coordinate to Co²⁺. The stress–strain response of a 75/25 blend of PVA and PEI with 2 mol % Co²⁺ reveals a decrease in elastic modulus from 4.4 × 10⁹ N/m² to 5.7 × 10⁷ N/m², a decrease in fracture stress from 3.7 × 10⁷ N/m² to 2.0 × 10⁶ N/m², and an increase in ultimate strain from 1.3 to 12% relative to the 75/25 immiscible polymer–polymer blend. A plausible explanation for this effect is based on the fact that cobalt chloride hexahydrate compatibilizes both polymers by forming a coordination bridge between nitrogen lone pairs in dissimilar chains. Hence, poly(ethylene imine), which is very weak with a T_g near −40 °C, is integrated into a homogeneous structure with poly(vinylamine) and the mechanical properties of the individual polymers are averaged in the compatibilized ternary complex. © 2000 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 38: 552–561, 2000     

α-Methoxy Ketones by the Reaction of Trimethylsilyl Enol Ethers with Lead Tftraacetate in Methanol

Trimethylsily1 enol ethers of acetophenone, 2-acetylthiophene and 2-acetylfuran react with lead tetraacetate in methanol at room temperature to give the α-methoxy ketones in good yields.     

Integrated Machine Learning and Chemoinformatics-Based Screening of Mycotic Compounds against Kinesin Spindle ProteinEg5 for Lung Cancer Therapy

Among the various types of cancer, lung cancer is the second most-diagnosed cancer worldwide. The kinesin spindle protein, Eg5, is a vital protein behind bipolar mitotic spindle establishment and maintenance during mitosis. Eg5 has been reported to contribute to cancer cell migration and angiogenesis impairment and has no role in resting, non-dividing cells. Thus, it could be considered as a vital target against several cancers, such as renal cancer, lung cancer, urothelial carcinoma, prostate cancer, squamous cell carcinoma, etc. In recent years, fungal secondary metabolites from the Indian Himalayan Region (IHR) have been identified as an important lead source in the drug development pipeline. Therefore, the present study aims to identify potential mycotic secondary metabolites against the Eg5 protein by applying integrated machine learning, chemoinformatics based in silico-screening methods and molecular dynamic simulation targeting lung cancer. Initially, a library of 1830 mycotic secondary metabolites was screened by a predictive machine-learning model developed based on the random forest algorithm with high sensitivity (1) and an ROC area of 0.99. Further, 319 out of 1830 compounds screened with active potential by the model were evaluated for their drug-likeness properties by applying four filters simultaneously, viz., Lipinski’s rule, CMC-50 like rule, Veber rule, and Ghose filter. A total of 13 compounds passed from all the above filters were considered for molecular docking, functional group analysis, and cell line cytotoxicity prediction. Finally, four hit mycotic secondary metabolites found in fungi from the IHR were screened viz., (−)-Cochlactone-A, Phelligridin C, Sterenin E, and Cyathusal A. All compounds have efficient binding potential with Eg5, containing functional groups like aromatic rings, rings, carboxylic acid esters, and carbonyl and with cell line cytotoxicity against lung cancer cell lines, namely, MCF-7, NCI-H226, NCI-H522, A549, and NCI H187. Further, the molecular dynamics simulation study confirms the docked complex rigidity and stability by exploring root mean square deviations, root mean square fluctuations, and radius of gyration analysis from 100 ns simulation trajectories. The screened compounds could be used further to develop effective drugs against lung and other types of cancer.