Showing papers in "Indonesian Journal of Chemistry in 2020"
TL;DR: Molecular docking studies revealed that the compounds 1a-1f have the potential to become lead molecules in the drug discovery process.
Abstract: A computational Petra/Osiris/Molinspiration/DFT(POM/DFT) based model has been developed for the identification of physico-chemical parameters governing the bioactivity of series of oxazaphosphinanes derivatives 1a-1f containing potential antifungal O,N-pharmacophore. Molecular docking study was performed in order to evaluate synthesized compounds their possible antifungal properties and their interactions in the binding site. Molecular docking studies revealed that the compounds 1a-1f have the potential to become lead molecules in the drug discovery process. The six compounds 1a – 1f analyzed here were previously synthesized by our group.
21 citations
TL;DR: In this paper, a multiple choice chemical literacy test instrument (MC-CLTI) was developed and validated on chemical kinetics and a small survey was conducted on chemical literacy of first year chemistry students.
Abstract: This study aims to (1) develop and validate a multiple choice chemical literacy test instrument (MC-CLTI) on chemical kinetics and (2) conduct a small survey on chemical literacy of first year chemistry students. The development of the instrument involved expert consultation and judgment, validation and two times pilot studies. The first pilot study involved 119 first year chemistry students while the second pilot study involved 197 second year chemistry students. The final form of MC-CLTI consists of 30 valid and reliable items (Cronbach's Alpha coefficient = 0.744). The survey showed that the average score of respondents' chemical literacy was 63.24. This score is in the range of the average scores reported by several previous studies.
19 citations
TL;DR: The degradation of commercial diazinon in aqueous solution was investigated by photocatalysis using low-energy activated C,N-codoped TiO 2 as catalyst under visible-light as mentioned in this paper.
Abstract: Diazinon (C 12 H 21 N 2 O 3 PS) is an effective pest controller that has been frequently used by farmers in agriculture. It is a nonspecific and highly toxic pesticide having low persistence in the environment and categorized as moderately hazardous class II. The degradation of commercial diazinon in aqueous solution was investigated by photocatalysis using low-energy activated C,N-codoped TiO 2 as catalyst under visible-light. The influence of some parameters, i.e., catalyst concentration, the initial concentration of diazinon, initial pH of diazinon, and irradiation time on the diazinon degradation was studied. The amount of diazinon degradation was strongly influenced by all the above parameters. The results show that titania-modified enhanced the degradation percentage of diazinon, from 44.08% without a catalyst to 86.93% by adding 12 mg C,N-codoped TiO 2 catalyst after 30 minutes visible-light irradiation. UV-visible spectrophotometer, HPLC, and COD analysis verified that diazinon was successfully degraded under photocatalysis visible.
18 citations
TL;DR: In this paper, a new mixed-ligand binuclear Co(II) complex of Schiff base was prepared, and the photodecolorization of this complex was done under UV light for ZnO's suspension solution.
Abstract: In this work, a new mixed-ligand binuclear Co(II) complex of Schiff base was prepared. Moreover, the characterization of this prepared complex was performed by measurement of melting points, UV-Vis spectra, FT-IR spectra, and magnetic susceptibility measurements, and later compared with metal and ligand solutions. It has been discovered that the Schiff bases with Co(II) ion forms a binuclear complex with a stoichiometry of molar ratio 1:2 from “metal:ligand”. The photodecolorization of this complex was done under UV light for ZnO's suspension solution. The results of this photodecolorization showed that the greatest efficiency was obtained with the use of ZnO dose of 300 mg/100 mL and at an initial pH of 7. The decolorization activation energy for this complex is a small value of 11.289 kJ mol –1 . Additionally, the thermodynamic study for this reaction is non-spontaneous, endothermic and less random.
16 citations
TL;DR: In this article, the reaction of methyldopa with o-vanillin in refluxing ethanol afforded Schiff base and characterized through physical analysis with a number of spectra also the study of biological activity.
Abstract: The reaction of methyldopa with o-vanillin in refluxing ethanol afforded Schiff base and characterized through physical analysis with a number of spectra also the study of biological activity. The geometry of the Schiff base was identified through using (C.H.N) analysis, Mass, 1 H-NMR, FT-IR, UV-Vis spectroscopy. Metal complexes of Cr 3+ , Mn 2+ , Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , Cd 2+ and Hg 2+ with Schiff base have been prepared in the molar ratio 2:1 (Metal:L), (L = Schiff base ligand) except Hg 2+ at molar ratio 1:1 (Hg:L). The prepared complexes were characterized by using Mass, FT-IR and UV-Vis spectral studies, on other than magnetic properties and flame atomic absorption, conductivity measurements. According to the results a dinuclear octahedral geometry has been suggested for Cr 3+ , Mn 2+ , Co 2+ , Ni 2+ , Cu 2+ and Zn 2+ complexes, dinuclear tetrahedral for Cd 2+ and mononuclear tetrahedral for Hg 2+ complex. This work highlights the relevance of metal complexation strategy to stabilize the ligands and improve their bioactivity. Schiff base complexes have been screen for their antibacterial activity against Gram negative and positive bacteria and antifungal activity showing promising antibacterial and biological activity.
14 citations
TL;DR: In this paper, the exact values of the topological indices which play a vital role in studying chemical information, structure properties like QSAR and QSPR have been determined, and analogous graph invariants, based on the second degrees of vertices, called leap Zagreb indices have been considered.
Abstract: The main object of this study is to determine the exact values of the topological indices which play a vital role in studying chemical information, structure properties like QSAR and QSPR. The first Zagreb index and second Zagreb index are among the most studied topological indices. We now consider analogous graph invariants, based on the second degrees of vertices, called leap Zagreb indices. We compute these indices for Tickysim SpiNNaker model, cyclic octahedral structure, Aztec diamond and extended Aztec diamond.
13 citations
TL;DR: In this article, two films of ZnO-Ag/polystyrene (ZnOAg/PS) and ZnOsO/PS composites were made as films and were then analyzed by FTIR spectra that showed the interaction with polystyrene appeared in the range of 400-620 cm −1, XRD pattern indicated the presence of Ag nanoparticles on the surface of ZNO.
Abstract: Two films of ZnO-Ag/polystyrene (ZnO-Ag/PS) and ZnO/polystyrene (ZnO/PS) have been prepared to evaluate the photodegradation ability of stabilized catalysts. The efficiency of ZnO improved against recombination of electron-hole pair by modification of catalyst surface with Ag photodeposition to be more resistant towards photocorrosion. ZnO-Ag catalyst was characterized by SEM and EDS analysis to show high roughness of this catalyst and Ag deposited on the surface was 2% (molar ratio). ZnO-Ag/PS and ZnO/PS composites were made as films and were then analyzed by FTIR spectra that showed the interaction of ZnO and ZnO-Ag with polystyrene appeared in the range of 400–620 cm –1 , XRD pattern indicated the presence of Ag nanoparticles on the surface of ZnO and ZnO/PS film has maximum absorbance at 376 nm in UV-VIS spectra. This value shifted to 380 nm because of the photodeposition. The photocatalytic reaction was depicted using methylene blue (MB) in the UV-irradiation action of stacked films in MB solution. The result showed that both ZnO-Ag/PS and ZnO/PS films gave efficiency to remove MB by 97% and 70%, respectively. The reusability test of the films showed that ZnO-Ag/PS was more resistant than ZnO/PS. The presence of Ag also increased the efficiency in photodegradation and resistance against photocorrosion.
12 citations
TL;DR: In this article, a multivariate model of partial least squares discriminant analysis (PLS-DA) was proposed to discriminate tuber flours having similar color by using Fourier transform near-infrared (FT-NIR) and FT-IR spectroscopy to minimize misclassification if using human eye or avoid adulteration.
Abstract: This research aimed at providing a fast and accurate method in discriminating tuber flours having similar color by using Fourier transform near-infrared (FT-NIR) and Fourier transform infrared (FT-IR) spectroscopy in order to minimize misclassification if using human eye or avoid adulteration. Reflectance spectra of three types of tubers (consisted of Canna edulis, modified cassava, and white sweet potato) were collected to develop a multivariate model of partial least-squares discriminant analysis (PLS-DA). Several spectra preprocessing methods were applied to obtain the best calibration and prediction model, while variable importance in the projection (VIP) wavelength selection method was used to reduce variables in developing the model. The PLS-DA model achieved 100% accuracy in predicting all types of flours, both for FT-NIR and FT-IR. The model was also able to discriminate all flours with coefficient of determination (R 2 ) of 0.99 and a standard error of prediction (SEP) of 0.03% by using 1 st Savitzky Golay (SG) derivative method for the FT-NIR data, as well as R 2 of 0.99 and SEP of 0.08% by using 1 st Savitzky Golay (SG) derivative method for the FT-IR data. By applying the VIP method, the variables were reduced from 1738 to 608 variables with R 2 of 0.99 and SEP of 0.09% for FT IR and from 1557 to 385 variables with R 2 of 0.99 and SEP of 0.05% for FT NIR.
12 citations
TL;DR: In this article, a melt blending of poly(lactic acid) (PLA)/acrylonitrile-butadiene-styrene (ABS) with 30:70 PLA:ABS was prepared by a twin screw extruder with a die of 25 mm width and 0.5 mm thickness with various loadings of graphene (0 − 1.0 wt.).
Abstract: A melt blending of poly(lactic acid) (PLA)/acrylonitrile-butadiene-styrene (ABS) with 30:70 PLA:ABS was prepared by a twin screw extruder with a die of 25 mm width and 0.5 mm thickness with various loadings of graphene (0–1.0 wt.%). The PLA/ABS blends were evaluated by mechanical, morphology, thermal and interaction of the components of the blend. Results show the incorporation of graphene nanoplatelet (GNP) improved the tensile and modulus properties. Nevertheless, it was observed that at higher GNP loadings i.e. 0.6–1.0 wt.%, both tensile and modulus properties showed a decreasing trend. It was also found that the thermal stability for the blend slightly improved when graphene presence in the blend.
10 citations
TL;DR: In this article, two low-cost wastes, banana pith (BP) and cockle shells (CS), were explored towards methylene blue (MB) removal, and the performance of CS-BP was compared with untreated BP and commercially Ca(OH) 2 -treated BP.
Abstract: Two low-cost wastes, banana pith (BP) and cockle shells (CS) were explored towards methylene blue (MB) removal. The performance of cockle shells-treated banana pith (CS-BP) in MB removal was compared with untreated BP and commercially Ca(OH) 2 -treated BP (Ca(OH) 2 -BP). The adsorption efficacy was following the order of BP 0.99) and the Langmuir isotherm (R 2 = 0.999) models, demonstrating the chemisorption and naturally homogeneous process. Thermodynamics study discovered that the MB removal by CS-BP is endothermic, feasible, spontaneous and randomness growth at a solid-solute interface. It is affirmed that CS could be employed as a low-cost activation material and CS-BP as a low-cost adsorbent.
10 citations
TL;DR: In this article, pomegranate peels (PPs) ground powder was proved as effective natural biomass for the separation of RhB from different aqueous media by batch adsorption experiments.
Abstract: Natural pomegranate peels (PPs) ground powder was proved as effective natural biomass for the separation of RhB from different aqueous media by batch adsorption experiments. Several parameters that affect the maximum adsorption capacity toward RhB dye, e.g., the pH solution, initial dye concentration, adsorbent dosage, shaking time, and solution temperature in the sorption behavior, were studied. Adsorption of RhB dye from aqueous media of pH ≈ 5 reached equilibrium in 10 min and was independent of the initial concentration of RhB. RhB dye sorption followed pseudo-second order kinetic with an overall rate constant (k 2 ) of 0.04 g mg –1 min –1 . Furthermore, the sorption isotherm was found 31.95 ± 0.02 mg g –1 for the sorption capacity of RhB onto PPs. The thermodynamic parameters (ΔH, ΔS, and ΔG) of RhB retention by the sorbent were calculated. The positive value of ΔH confirms the endothermic behavior of the adsorption of RhB by PPs from aqueous solution. The positive value of entropy (ΔS = 42.17 J mol –1 K –1 ) of the sorption of RhB onto the sorbent surface may be attributed to the increase in the degree of freedom of the RhB molecules is more restricted in the PPs structure than in solution.
TL;DR: In this article, the effect of calcination temperature on the characteristics of the obtained products which encompasses crystal structure, surface morphology, band-gap energy, and photocatalytic activity for the decolorization of methyl orange dyes through its kinetic study was determined.
Abstract: Research on synthesis of bismuth oxide (Bi 2 O 3 ) using sol-gel method with varying calcination temperatures at 500, 600, and 700 °C has been done. This study aims to determine the effect of calcination temperature on the characteristics of the obtained products which encompasses crystal structure, surface morphology, band-gap energy, and photocatalytic activity for the decolorization of methyl orange dyes through its kinetic study. Bismuth oxide prepared by sol-gel method was undertaken by dissolving Bi(NO 3 ) 3 ·5H 2 O and citric acid in HNO 3 . The mixture was stirred then heated at 100 °C. The gel formed was dried in the oven and then calcined at 500, 600, and 700 °C for 5 h. The obtained products were a pale yellow powder, indicating the formation of bismuth oxide. This is confirmed by the existence of Bi–O and Bi–O–Bi functional groups through FTIR analysis. All three products possess the same mixed crystal structures of α-Bi 2 O 3 (monoclinic) and γ-Bi 2 O 3 (body center cubic), but their morphologies and band gap values are different. The higher the calcination temperature, the larger the particle size and the smaller the band gap value. The accumulative differences in characteristics appoint SG700 to have the highest photocatalytic activity compared to SG600 and SG500 as indicated by its percent degradation value and decolorization rate constant.
TL;DR: The design of AEYTR is presented assisted by the validated protocol and guided by literature reviews followed by molecular dynamics studies to examine the interactions of the pentapeptide in the binding pocket of the acetylcholinesterase enzyme.
Abstract: Structure-based virtual screening protocol to identify potent acetylcholinesterase inhibitors was retrospectively validated. The protocol could be employed to examine the potential of designed compounds as novel acetylcholinesterase inhibitors. In a research project designing short peptides as acetylcholinesterase inhibitors, peptide AEYTR emerged as one of the potential inhibitors. This article presents the design of AEYTR assisted by the validated protocol and guided by literature reviews followed by molecular dynamics studies to examine the interactions of the pentapeptide in the binding pocket of the acetylcholinesterase enzyme. The molecular dynamics simulations were performed using YASARA Structure in Google Cloud Platform. The peptide AEYTR was identified in silico as a potent acetylcholinesterase inhibitor with the average free energy of binding (DG) of -19.138 kcal/mol.
TL;DR: In this article, various kinetic models such as shrinking core, logarithmic rate law, and Avrami equation were used to find out the most appropriate kinetic models for this process.
Abstract: The kinetics study of NCA leaching in the HCl system was proposed. Various kinetic models such as shrinking core, logarithmic rate law, and Avrami equation were used to find out the most appropriate kinetic models for this process. The effect of HCl concentrations, leaching temperatures, solid to liquid (S/L) ratio, and leaching duration were observed. The optimum conditions of NCA leaching were at HCl concentration of 4 M, temperature of 80 °C, S/L ratio of 100 g/L, and leaching time of 1 h. The result shows that shrinking core model with diffusion control process of residue layer describes well the leaching mechanism in this research, which is indicated by the good fitting of coefficient values of correlation (R 2 ) and confirmed by the activation energy values of Ni, Co, Al that were less than 40 kJ/mol.
TL;DR: In this paper, the efficiencies of raw (RK) and acid activated (0.5 M AAK) kaolinite clay minerals to remove methylene blue (MB) dyes in aqueous solution were investigated and compared.
Abstract: The efficiencies of raw (RK) and acid activated (0.5 M AAK) kaolinite clay minerals to remove methylene blue (MB) dyes in aqueous solution were investigated and compared. The 0.5 M AAK was prepared by treatment of RK in dilute 0.5 M HCl aqueous solution under reflux. Kaolinite adsorbents were characterized and their MB removal performances were evaluated via the batch method. MB desorption from spent kaolinites was investigated at pH 4 to 8. The MB removal was increased with increasing initial dye concentration, agitation speed and adsorbent dosage in 60 min reaction time at pH 6. Both kaolinites showed high MB removal (up to 97%). The Freundlich model has the best-fit equilibrium adsorption isotherm model for RK and 0.5 M AAK. The kinetic data for both adsorbents showed strong agreement with the pseudo second order kinetic model (r 2 > 0.98). Nevertheless, the spent RK adsorbent demonstrated a significant higher MB retention than 0.5 M AAK in desorption experiments. Kaolinite clays have great potential as cost-effective materials for dyes removal in wastewater treatment.
Abstract: A new six-armed compounds consist of benzene ring as a central core substituted with aromatic ring and three rod-like armed of 2-chloro-4,6-bis(dodecyloxy)-1,3,5-triazine as the peripheral arms unit which obtained by sequential nucleophilic substitution of chlorine atoms in cyanuric chloride. The substitution took place at the acetylenic periphery on the central benzene ring by Sonogashira coupling. Equimolar mixtures of the six-armed compounds based on the benzene core with the complementary 4-dodecyloxybenzoic acid, which already possessed liquid crystal property, resulted in an organic salt. The organic salts and structures were investigated by differential scanning calorimetry (DSC), and confirmed by spectroscopic methods ( 1 H-NMR, 13 C-NMR and Mass spectroscopy)
TL;DR: In this paper, the effect of process parameters such as the concentration of alcalase (0.5-1.5), temperature (50-70 °C) and pH (6.5 -8.5) towards the yield of oil was studied.
Abstract: Extraction of omega-3 fatty acid from Jade Perch (Scortum barcoo) using enzymatic hydrolysis techniques are expected to be more economically possible techniques due to the uses of the enzyme with the characteristic of environmentally friendly, reusable and less energy required during large-scale production. Design of Experiments (DOE) was used to study the effect of process parameters such as the concentration of alcalase (0.5–1.5%), temperature (50–70 °C) and pH (6.5–8.5) towards the yield of oil. The findings showed 16.55% of oil yield was extracted from the jade perch under an optimum condition at 50 °C, 6.5 pH with 0.5% of enzyme concentration for 2 h incubation time. The fish oil was then undergone enzymatic concentration of omega-3 FA using lipase from Candida rugosa. The acid value and peroxide value of the fish oil was 71.422 mg KOH/g and 0.799 meq/kg, while the acid and peroxide value of the omega-3 concentrated oil was lower to 49.074 mg KOH/g and 0.399 meq/kg. The FTIR spectrum showed the presence of C–H stretch, =C–H stretch and C=O stretch bond justified the existence of lipids as it presents of alkanes, alkene, and carboxylic acids functional group. At the same time, GC-MS analysis showed the fish oil contains higher total PUFA content and omega-3 fatty acid content than omega-3 concentrated oil.
TL;DR: In this article, a solid base catalyst for the conversion of oils to biodiesel was developed using X-Ray Diffraction (XRD), Fourier transform infrared (FTIR), Scanning Electron Microscope Energy Dispersive X-ray Spectroscopy (SEM-EDS), and Brunauer-Emmet-Teller and Barrett-Joyner-Halenda (BJH) methods.
Abstract: In this study, silica derived from corncobs impregnated with sodium hydroxide to obtain sodium silicate was calcined, prepared, and employed as a solid base catalyst for the conversion of oils to biodiesel. The catalyst was characterized by X-Ray Diffraction (XRD), Fourier-Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscope Energy Dispersive X-Ray Spectroscopy (SEM-EDS), and Brunauer-Emmet-Teller (BET) and Barrett-Joyner-Halenda (BJH) methods. Gas Chromatography-Mass Spectrometry (GC-MS) was used to characterize the biodiesel products. The optimum catalyst conditions were calcination temperature of 400 °C for 2 h, catalyst loading of 2%, and methanol: oil molar ratio of 12:1 at 60 °C for 60 min, that resulted in a yield of 79.49%. The final product conforms to the selected biodiesel fuel properties of European standard (EN14214) specifications. Calcined corncob-derived sodium silicate showed high potential for use as a low-cost, high-performance, simple-to-prepare solid catalyst for biodiesel synthesis.
TL;DR: In this article, the mechanical properties of natural rubber composites with nitrile butadiene rubber and ethylene propylene diene diene monomer rubber were studied. But the results of the results were not only influenced by the ratio of the composite, but also by the degree of cross-linking between the material molecules.
Abstract: This research aims to study the mechanical properties of natural rubber composites with nitrile butadiene rubber and ethylene propylene diene monomer rubber. Composite fillers consisted of kaolin, and softener using used cooking oil. The study was carried out by the method of mastication, vulcanization, and maturation of the compound into rubber vulcanizates. The vulcanization and mastication process is carried out in the open mill. The maturation of the compound into rubber vulcanizates from the results of mastication and vulcanization was carried out using semi-automatic heat press and press at a temperature of 130 °C ± 2 °C for 17 min. Based on data from testing the mechanical properties of five samples from five formulas, the mechanical properties of composite rubber are affected by the ratio of natural rubber, synthetic rubber, kaolin, and used cooking oil as a softener. The difference in the results of vulcanizates rubber testing of natural rubber composites with synthetic rubber is not only influenced by the ratio of the composite, but also by the degree of cross-linking between the material molecules.
TL;DR: In this article, the preparation, characterization, and catalytic activity test of sulfated zirconia (SZ) modified with chromium for the hydrocracking of LDPE-based plastic waste have been investigated.
Abstract: The preparation, characterization, and catalytic activity test of sulfated zirconia (SZ) modified with chromium for the hydrocracking of LDPE-based plastic waste have been investigated. SZ was prepared by wet impregnation method using zirconia nanopowder (ZrO 2 ) and H 2 SO 4 solution. SZ was further modified with chromium (0.5, 1.0, and 1.5% wt.%) by refluxing in aqueous solution of Cr(NO 3 ) 3 ·9H 2 O, followed by calcination and reduction processes. The prepared catalysts were characterized by SEM-Mapping and TEM. Hydrocracking of LDPE-based plastic waste was conducted at various temperatures and various catalysts. In addition, the optimum catalyst was repeatedly used for the reaction to demonstrate the stability of the catalyst. Liquid products obtained by hydrocracking were characterized by GCMS. The results showed that the morphology of the prepared catalysts had different sizes and disordered shapes after the addition of sulfate and Cr. The effective temperature for hydrocracking was 250 °C. The highest selectivity to liquid product and gasoline fraction were 40.99 and 93.42 wt.%, respectively, and were obtained over Cr/SZ with 1.0 wt.% Cr. Hydrocracking of plastic waste over the used Cr/SZ catalyst with 1.0 wt.% Cr showed that the Cr/SZ catalyst was stable and reusable up to three repetitions.
TL;DR: In this article, the authors evaluated the antioxidant activity of strychnobiflavone due to the increasing demand of the antioxidant agents day by day, and they found that the compound increased scavenging activity in a concentration-dependent manner due to phenolic and flavonoid contents.
Abstract: This work evaluates the antioxidant activity of strychnobiflavone due to the increasing demand of the antioxidant agents day by day. Various in vitro antioxidants assays such as 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) were used to investigate the antioxidant activity of strychnobiflavone. The results of both DPPH and ABTS show that strychnobiflavone increase the scavenging activity in a concentration-dependent manner due to the phenolic and flavonoid contents. This study revealed that strychnobiflavone is one of the promising and an effective compound for the antioxidant agent.
TL;DR: In this paper, the utilization of lignin byproduct of the soda delignification process of coconut coir converted to the activated carbon by a simple precipitation method followed by the carbonization at various temperatures is presented.
Abstract: Lignin as a by-product of the pulping process is less widely used for worth materials. In this study, the utilization of lignin by-product of the soda delignification process of coconut coir converted to the activated carbon by a simple precipitation method followed by the carbonization at various temperatures is presented. The by-product liquor of the soda delignification process having a pH of 13.4 was neutralized by dropping of hydrochloric acid solution to achieve the pH solution of 4 resulting in the lignin precipitation. The precipitated was washed, filtered, and dried. The dried lignin was then carbonized under a nitrogen atmosphere at various temperatures of 500, 700, and 900 °C. The dried lignin and carbonized samples were characterized using SEM, XRD, FTIR, and nitrogen adsorption-desorption analyzer, to examine their morphology, X-Ray diffraction pattern, chemical bonding interaction, and surface area-pore size distribution, respectively. The characterization results showed that the functional groups of lignin mostly disappeared gradually with the increase of temperature approached the graphite spectrum. The XRD patterns confirmed that the carbonized lignin particles were amorphous and assigned as graphitic. All samples had a pore size of 3–4 nm classified as mesoporous particles. This study has shown that the carbonization lignin at a temperature of 700 °C had the highest surface area (i.e. 642.5 m 2 /g) in which corresponds to the highest specific capacitance (i.e. 28.84 F/g).
TL;DR: In this article, the applicability of the waste aluminium cans electrode was tested for decolorization of acid red 18 dye as a model pollutant, and the results demonstrated that waste aluminum cans performed better than commercial aluminium electrode with a removal efficiency of 100% in 25 min of reaction time.
Abstract: This work compares commercial aluminium electrode for use in the treatment of wastewater by electrocoagulation process against waste aluminium cans electrode. The applicability of the waste aluminium cans electrode was tested for decolorization of Acid Red 18 dye as a model pollutant. The batch electrocoagulation process using both types of electrode was conducted at a current density of 25 mA/cm 2 , a pH of 3, an initial concentration of 100 mg/L and 25 min of reaction time. The elemental composition and surface morphology of both electrode materials and the sludge produced were analyzed using SEM-EDX to establish the correlation between the properties and characteristics of both electrode materials with their dye removal performance. The results demonstrated that waste aluminium cans performed better than commercial aluminium electrode with a removal efficiency of 100% in 25 min of reaction time. This was due to the higher Al dissolution of waste aluminium cans electrode that contributed to the larger amount of Al 3+ released into the solution to consequently form more flocs to remove the dye molecules. In conclusion, the proposed waste aluminium electrode was considered as efficient and cost-effective and had the potential to replace the conventional ones in treating colored industrial wastewater using electrocoagulation process.
TL;DR: In this paper, activated carbon-chitosan-alginate (KKA) beads powder was synthesized to form an adsorbent for the cationic dyes, methylene blue (MB) and methyl violet 2B (MV 2B).
Abstract: The activated carbon-chitosan-alginate (KKA) beads powder was synthesized to form an adsorbent for the cationic dyes, methylene blue (MB) and methyl violet 2B (MV 2B). The aims of this research were to determine the optimum composition of KKA beads powder for the adsorption of cationic dyes and to investigate the effect of pH, adsorbent mass, contact time, and initial concentration of MB and MV 2B dyes. A desorption study was also implemented to predict the adsorption mechanisms of MB and MV 2B dyes. The KKA beads powder was prepared by mixing chitosan, Na-alginate with various variation of masses (0.6; 0.8; 1.0; and 1.2 g) and activated carbon. The KKA beads were immersed in a CaCl 2 solution. The KKA beads powder was characterized using FTIR spectroscopy and SEM. The desorption study was conducted in NaCl (0.1 M and 1.0 M), ethanol (40% and 60%), and pH 4 solution. The result showed that the KKA beads powder had been successfully created, with maximum adsorption capacities of 1.34 mmol g –1 for MB and 1.23 mmol g –1 for MV 2B. The kinetics and isotherms of MB and MV dyes adsorption on the KKA beads powder followed pseudo second order kinetics model and Freundlich isotherm. The desorption study showed that 60% ethanol was the most effective desorption solution for cationic dyes.
TL;DR: Molecular-docking analyses showed that compound 14e was the best docked ligand against both targets, as it displayed the lowest binding energy, critical hydrogen bonds and hydrophobic interactions with the targets.
Abstract: New compounds 5 and 9 using DNA bases e.g. Adenine 1 and Guanine 6 derivatives have been synthesized. The use of simple methods to synthesize compounds 5 and 9 were done using pyrimidine as an alternative DNA base ring. Another design to synthesize new simple pyrimidine rings utilizing thiourea and ethylcyano acetate to afford 6-amino-2-thiouracil was adopted. The reaction of thiouracil 10 with chloro cyano or chloro ester and ketone, resulted in the formation of adduct compounds 18-21 , rather than the formation of compound 17 . All the synthesized compounds were subjected to docking study, in order to gain insights into their binding modes against cyclin-dependent protein kinase 2 (CDK-2) that is involved heavily in cell cycle regulation and receptor protein B-cell lymphoma 2 (BCL-2) which is involved in cell apoptosis. These targets were selected based on their key roles in cancer progression via the regulation of the cell cycle and DNA replication. Molecular-docking analyses showed that compound 14e was the best docked ligand against both targets, as it displayed the lowest binding energy, critical hydrogen bonds and hydrophobic interactions with the targets.
TL;DR: In this article, a reversed-phase high performance liquid chromatography (HPLC) method was developed and optimized in this study employed by R statistical software with the package of rsm.
Abstract: Soy milk, one of the soybean products, become more popular in recent years due to its benefit for human health. Biological activities of soybean products have been widely studied according to the presence of isoflavone aglycones content, including genistein, daidzein, and glycitein. Hence, it is important to develop an effective and efficient analytical method to provide guidance regarding appropriate isoflavone intake levels for soy milk. A reversed-phase high performance liquid chromatography (HPLC) method was developed and optimized in this study employed by R statistical software with the package of rsm. A C 18 column was used for HPLC separation with the detection at 260 nm. Optimized condition for HPLC separation has been achieved with the mobile phase of methanol: water (63.26:36.74), a flow rate of 0.81 mL/min, and a column temperature of 45.31 °C. These conditions were applied in the HPLC system and successfully tested for the system suitability. Quantitative estimation was performed and resulted that the genistein, daidzein, and glycitein content in soy milk samples were 6.372, 6.273, and 2.853 µg/mL, respectively.
TL;DR: Graphene oxide with eggshells (GO/ES) adsorbent has been studied for fluoride ions (F - ) removal in this article, where the effects of these adsorption parameters towards F - removal were investigated.
Abstract: Graphene oxide with eggshells (GO/ES) adsorbent has been studied for fluoride ions (F – ) removal. An adsorption study was conducted in batch experiments at different adsorption parameters, which are initial F – concentration, contact time, and temperature. The effects of these adsorption parameters towards F – removal by using GO/ES adsorbent were investigated. The adsorption parameters were then analyzed with adsorption isotherms (Langmuir and Freundlich), kinetics (pseudo-first-order and second-order) and thermodynamic studies. Under various parameters, GO/ES is proven as an effective adsorbent with an adsorption capacity of F – are up to 48 mg/g. The experimental data were satisfactorily fitted with Langmuir isotherm, which illustrated the monolayer pattern of F – adsorption into GO/ES adsorbent. The adsorption kinetic analysis indicated that the adsorption data could be well described by Pseudo-second-order kinetic model, which indicated the chemisorption process, while thermodynamic studies revealed that the adsorption of F – was an exothermic process.
TL;DR: In this paper, the synthesis of cobalt-doped zirconium titanate (Co-Doped ZrTiO 4 ) as a potential photocatalyst with visible-light-response had been conducted.
Abstract: Synthesis of cobalt-doped zirconium titanate (Co-doped ZrTiO 4 ) as a potential photocatalyst with visible-light-response had been conducted. Materials used in this research were titanium tetraisopropoxide (TTIP) as a precursor of TiO 2 , ZrO 2 as another semiconductor for coupling, and CoSO 4 ·7H 2 O as the source of cobalt dopant. The composite was prepared by the sol-gel method with various cobalt contents and calcination temperatures. Composites with various Co dopant contents (0, 1, 3, 5, 7, and 9% (Co wt./Ti wt.)) were calcined at 500 °C for 4 h. In addition, the composite with 5% of dopant content was calcined at 700 and 900 °C to observe the influence of calcination temperature. All samples were characterized by using X-ray powder diffraction method (XRD), Fourier-transform infrared spectroscopy (FTIR), specular reflectance UV-Vis spectroscopy (SRUV), and scanning electron microscopy equipped with X-ray energy dispersive spectroscopy (SEM-EDS). Co-doped ZrTiO 4 with the lowest bandgap (2.94 eV) was achieved in a sample containing 3% of cobalt content calcined at 500 °C.
TL;DR: Seven compounds were suggested to be potentially active as ERα inhibitors and deserve to be synthesized and further investigated and met Lipinski’s rule of five and had medium synthesis accessibility.
Abstract: The estrogen receptor alpha (ERα) plays an important role in breast development and pro-proliferation signal activation in the normal and cancerous breast. The ERα inhibitors were potentially active as cytotoxic agents against breast cancer. This study was conducted in order to find Asymmetrical Hexahydro-2H-Indazole Analogs of Curcumin (AIACs) as hits of ERα inhibitor. A training set of 17 selected ERα inhibitors was used to create 10 pharmacophore models using LigandScout 4.2. The pharmacophore models were validated using 383 active compounds as positive data and 20674 decoys as negative data obtained from DUD.E. Model 2 was found as the best pharmacophore model and consisted of three types of pharmacophore features, viz. one hydrophobic, one hydrogen bond acceptor, and aromatic interactions. Model 2 was utilized for ligand-based virtual screening 186 of AIACs, AMACs, intermediates, and Mannich base derivative compounds. The hits obtained were further screened using molecular docking, analyzed using drug scan, and tested for its synthesis accessibility. Fourteen compounds were fulfilled as hits in pharmacophore modeling, in which 10 hits were selected by molecular docking, but only seven hits met Lipinski’s rule of five and had medium synthesis accessibility. In conclusion, seven compounds were suggested to be potentially active as ERα inhibitors and deserve to be synthesized and further investigated.
TL;DR: In this article, a new chromogenic reagent azo-Schiff base 1-((4-(1-(hydroxyphenylimino)ethyl)-phenyl)diazenyl) naphthalene-2-ol (HPEDN) was synthesized and complexed with copper(II) and characterized using UV/Vis spectroscopy.
Abstract: The sensitive, accurate and rapid spectrophotometric method that can be used for determination of Cu(II) in the analytical samples using a new chromogenic reagent azo-Schiff base 1-((4-(1-(2-hydroxyphenylimino)ethyl)-phenyl)diazenyl) naphthalene-2-ol (HPEDN). The synthesized new (azo-Schiff base) ligand was complexed with copper(II) and characterized using UV/Vis spectroscopy, IR spectra, 1 H-NMR, 13 CN-MR spectra, Molar electrical connectivity, and measuring of their melting points. Then obtained complex showed a brown color with maximum absorption at λ max = 500 nm at pH = 9. Beer’s law is obeyed in the concentration in the range of 1.7 to 5.4 μg/mL. The molar absorption and Sandell’s sensitivity values of Cu(II) complex were found to be 0.5038 × 104 L mol –1 cm –1 and 0.0039 μg cm –2 , respectively. Structure of the prepared complex was investigated by using the continuous variation, mole ratio method and slope analysis method. The obtained results showed that the complex has (1:2) (M:L) molar ratio and these results showed that this method were more sensitive, more precise and accuracy through the calculation of (Re, Erel, R.S.D)%. The most important interferences were due to, Co 2+ , Cd 2+ , Zn 2+ , Ni 2+ , Mn 2+ , Pd 2+ , Fe 3+ and these were studied, and suitable masking agents were used. This method was applied for the determination of Cu(II) in alloy. The obtained results were compared with flame atomic absorption spectrometry method and these results were in a good agreement in these two cases.