To investigate in vitro antimalarial activity of chalcone derivative compounds against Plasmodium falciparum 3D7 (Pf3D7) strain and silico activity. Synthesis the derivatives was conducted via Claisen-Schmidt method using NaOH 60% base as catalyst. An assay carried out according to Rieckmann chloroquine-sensitive Pf3D7 strain. Molecular docking studies prepared were performed Discovery Studio 3.1 (Accelrys, Inc., San Diego, USA) software dihydrofolate reductases–thymidylate synthase...

Oriental Journal of Chemistry is a peer reviewed quarterly research journal pure and applied chemistry. It publishes standard papers in almost all thrust areas current chemistry academic commercial importance. provides platform for rapid publication quality papers, reviews letters. abstracted indexed reputed National International agencies.

Background and Objective: Cocoa bean shell (CBS) has phenolic content potential as cheaper source of antioxidants.The objective this study was to evaluate the effects cocoa fermentation on total antioxidant activity shell.Materials Methods: beans were placed in box following spontaneous for 24, 48, 60, 72, 96 120 h.The CBS separated from extracted with acetone-water (70:30 v/v).Folin-Ciocalteu method, 2,2-diphenyl-1-picrylhydrazyl (DPPH) method Fourier Transform Infrared Spectroscopy (FTIR)...

A molecular dynamics simulation based on ab initio quantum mechanical forces in combination with mechanics has been performed to describe structural and dynamical properties of Ag+ water. The first hydration shell, being the chemically most relevant region, was treated by at Hartree−Fock level using LANL2DZ ECP for double-ζ plus polarization basis sets outer region system described a newly constructed classical three-body corrected potential derived from energy surfaces. structure evaluated...

Oriental Journal of Chemistry is a peer reviewed quarterly research journal pure and applied chemistry. It publishes standard papers in almost all thrust areas current chemistry academic commercial importance. provides platform for rapid publication quality papers, reviews letters. abstracted indexed reputed National International agencies.

Cocoa bean shell is waste from chocolate industry that containing polyphenol 5.78 % and can be used as natural antioxidant source. The most important step in cocoa processing roasting. Roasting needed for developing the flavor. Chocolate industries do their roasting with low, medium high degree, depend on product’s necessity. objective of this research to determine effect degree toward activity. roasted at low (110 ºC 60 minutes), (140 40 minutes) (190ºC 15 minutes). was extracted acetone 70...

Hydrocracking of α-cellulose has been conducted in a semi-batch reactor at 400, 450, and 500 °C with hydrogen flow (30 mL/min.) for 4 h. Mordenite (MOR) Co, Ni Pd metal supported on the MOR were used as solid catalysts. The catalysts characterized using X-ray Diffractometer (XRD), Fourier Transform Infrared (FTIR) spectroscopy, Scanning Electron Microscopy (SEM) to evaluate physical-chemical properties. Energy Dispersive (EDX) Inductively Coupled Plasma (ICP) analyze amount impregnated...

Structure and dynamics of hydrated Au(+) have been investigated by means molecular simulations based on ab initio quantum mechanical forces at Hartree-Fock level for the treatment first hydration shell. The outer region system was described using a newly constructed classical three-body corrected potential. structure evaluated in terms radial angular distribution functions coordination number distributions. Water exchange processes between shells bulk indicate very labile shell whose average...

The structures, energetic and thermodynamic parameters of crown ethers with different cavity size, electron donating/withdrawing substituent groups donor atoms have been determined density functional method at B3LYP level theory in gas solvent phase. Small core quasi-relativistic effective potentials was used together the accompanying SDD basis set for Sr2+ DZP ether atoms. Natural bond orbital (NBO) analysis evaluated to characterize distribution electrons on complexes. interaction energy...

Objective: To synthesize chalcone derivatives and investigate their antimalarial activity toward chloroquine-sensitive Plasmodium falciparum 3D7 (Pf3D7) strain; to develop quantitative structureactivity relationships (QSAR) model estimate IC 50 values for biological of compared experimental measurement; determine the binding interactions most active compounds with targeting P. dihydrofolate reductase-thymidylate synthase using molecular docking simulation.Methods: Seven have been synthesized...

This research was aimed to study the effect of dilution level kenari shell liquid smoke thephysical, chemical and sensory properties beef. Longissimus dorsi beef immersed on Kenari shellliquid 1x, 2x, 3x, 4x, 5x during 15 minutes with five replicatesfollowing Randomized Complete Design. The results showed that higher liquidsmoke caused physical, which get closer qualityof control samples. affected almost all properties, except water andprotein content. It concluded lower levels more into...

The roles of counterions, solvent types and extraction temperatures on the selectivity 18-crown-6 (L) toward alkaline earth salts MX2 (M = Ca, Sr, Ba; X Cl-, NO3-) have been studied by density functional method at B3LYP level theory in gas phase. In phase, chloride anion Cl- is preference counterion than nitrate NO3-. This result confirmed interaction energies, second order charge transfers, energy difference between HOMO-LUMO electrostatic potential maps. presence reversed phase trend. It...

Abstract Study of potential kenari ( Canarium indicum L.) shell as a raw material in liquid smoke production for meat flavor developer has been done. To achieve this study, heating method using electric and gas ovens on the properties cooked smoke-meat have carried out. The characterization chemical (water content, protein fat TBA number peroxide, physical (cooking loss, WHC, tenderness, color) were analyzed Independent-Sample T Test. results showed that water contents well oven-...

Structure and dynamics investigations of Ag+ in 18.6% aqueous ammonia solution have been carried out by means the ab initio quantum mechanical/molecular mechanical (QM/MM) molecular (MD) simulation method. The most important region, first solvation shell, was treated mechanics at Restricted Hartree−Fock (RHF) level using double-ζ plus polarization basis sets for ECP Ag+. For remaining region system, newly constructed three-body corrected potential functions were used. average composition...

Tamarillo is an underutilized fruit in Indonesia, despite the fact that it contains two pigments (anthocyanin and carotenoid) with different properties (polar non polar). Besides, there a scarce information about extraction of anthocyanin carotenoid using sonication extraction. This study was aimed to investigate comparison methods maceration on antioxidant potency Tamarillo. Two pigmen types were extracted (sonication maceration). The parameters analysis yield, activity (DPPH) IC50, Ferric...

The structure and binding energies of 12-crown-4 benzo-12-crown-4 complexes with Li+, Na+, K+, Zn2+, Cd2+, Hg2+were investigated ab initio calculations using Hartree-Fock approximation second-order perturbation theory. basis set used in this study is lanl2mb. optimization cation-crown ether was evaluated at HF/lanl2mb level theory interaction energy the corresponding calculated MP2/lanl2mb (MP2/lanl2mb//HF/lanl2mb). Interactions crown ethers cations were discussed term parameter ether. show...