Abstract. The effect of size and shapes of some Kekuléan Polycyclic Aromatic Hydrocarbon (PAH) were studied using the density functional theory with B3LYP hybrid function and LANL2DZ basis set using Gaussian09 software program. Four different geometries of PAH: Linear (L), Hexagonal (H), Zigzag (Z) and Rhombus (R) were evaluated. The results showed that band gap energy (Eg) tends to decrease as the size of the increase, but some geometry decrease faster. Simple analysis also showed that |log(N)| = o(Eg(N)) for L, H and R geometries, indicating that Eg will become 0 for a finite size. These trends indicate that PAH size and shape can be tuned to modulate electronic properties and redox behavior, offering routes to optimize PAH-based anodes for LIBs. In terms of industrial relevance, the ability to tailor Eg​ through geometry provides design guidelines to achieve higher energy density, faster charging, and improved cycling stability, while potentially enabling scalable and cost-effective synthesis and processing of carbon-based organic electrode materials. The findings support the development of PAH-based anodes as a viable pathway to enhance performance and manufacturability in lithium-ion battery technology. Keywords: Density functional theory, electronic structure, energy materials, polycyclic aromatic hydrocarbons, shape effect, size effect

ABSTRACT. The photocatalytic activity of TiO₂ can be enhanced by binding it to materials with high adsorption capacity. The synthesis began with the mixture of 5 mL TTIP, 30 mL ethanol, and H₂O 30 mL stirred for 1 hour. Activated carbon made from coffee grounds in varying amounts (5 g, 10 g, and 15 g) was then added to the TTIP solution, and the mixture was stirred for 2 hours. The mixture was then placed in an autoclave, heated at 180°C for 12 hours, dried, and then calcined at 500°C for 3 hours. SEM morphological analysis showed that TiO₂ particles were attached to the surface of the activated carbon, which was further confirmed by EDX data showing the presence of Ti and O elements in the synthesized material. Furthermore, crystallinity and gap analyses demonstrated that the material was exclusively in the anatase phase. The largest surface area, 286.10 m²/g, was observed on titanium dioxide-activated carbon/10 (TiO₂-AC/10), exhibiting a mesoporous structure and microporous features. Photocatalytic tests for diazinon degradation demonstrated that TiO₂-AC/10 exhibited the most significant photocatalytic activity of 65.18%. The composite material's degradation capability diminished by 9-13% from the initial to the third cycle. The residual titanium elements within the composite material maintained stability, suggesting the integrity and durability of TiO₂ particles affixed to the surface of activated carbon. Keywords: TiO2-AC, Coffee Dregs, Diazinon, Photocatalysis, Reusability

ABSTRACT. Urease is an enzyme that catalyzes the hydrolysis of urea into ammonia and carbon dioxide. A significant application of urease is found primarily in food, medical equipment and biosensor industries. This research aims to analyze the amino acid content of red lentil seeds and the extraction, purification, and characterization of urease from red lentils. The study started by analyzing the amino acid content in red lentil seeds using High-Performance Liquid Chromatography (HPLC). The red lentil seeds were extracted using phosphate buffer pH 7.0 and separated using centrifugal separation technique until crude extract of urease was produced. The crude extract of urease was then concentrated using acetone at varied saturation level (33, 41, 50, 60, and 67%). The fraction with the highest specific activity was then analyzed using SDS-PAGE method and characterized for its pH, incubation temperature, and substrate concentration against the urease activity. The urease activity was determined using Nessler method. The research results showed that red lentils seeds contained all essential amino acids. The highest specific activity was found in the fraction at 50% acetone saturation level (F50) and purity level 6.3 times than the crude extract. The characterization result indicated that F50 was purer than the crude extract. The optimum urease activity of crude extract and F50 was obtained at pH 7.0 and an incubation temperature of 35 °C. The KM value of F50 was lower than crude extract. F50 has a higher affinity for binding to substrates so that the enzyme has higher efficiency in forming the products. Urease from red lentil seeds concentrated using acetone was 50% more potent as a catalyst than the crude extract. The research data will be the basis for the application of this urease. Keywords: Acetone, characterization, partial purification, red lentil, urease

A study on the synthesis of magnetized adsorbents from coal fly ash (FA) for the adsorption of malachite green (MG) dye has been conducted. The method involves acid activation and ferrite magnetization of FA. The activation of FA was performed by mixing it in an HCl solution, while the magnetization was carried out by the coprecipitation method using the molar ratio of 1:2 of Fe2+/Fe3+. The magnetized coal fly ash adsorbent (FA/Fe3O4) was then utilized to adsorb the MG dye, and the results were compared with that adsorbed by activated fly ash (AFA). Characterization of the materials was carried out using Atomic Absorption Spectroscopy (AAS), Fourier Transform Infrared Spectroscopy (FTIR), X-ray diffraction (XRD), and Vibrating Sample Magnetometer (VSM). The optimized parameters in the adsorption study were pH, adsorbent mass, contact time, and initial concentration. The optimum conditions for the adsorption of MG dye with AFA and FA/Fe3O4 are obtained at pH 7, the adsorbent mass of 0.1 and 0.25 g respectively, a contact time of 45 minutes, and the initial concentration of MG dye of 175 ppm. The MG adsorption on both adsorbents follows a pseudo-second-order kinetic model and can be best described by the Langmuir isotherm adsorption model. The synthesized adsorbent is prospective as it is low cost and easily separable from the solution using an external magnet after adsorption. Keywords: Adsorption, coal fly ash, magnetite, malachite green

This study aimed to analyze the chemical components and antibacterial activity of essential oils from kamboja (Plumeria alba L.), sedap malam (Polianthes tuberosa L.), and kenanga (Cananga ordorata L.) flowers against Staphylococcus aureus ATTC 25923. Additionally, the study explored the application of these essential oils as bio additives in transparent solid bath soap. The research consisted of several stages: isolation and identification of chemical components of essential oils using the GC-MS Method, transparent solid bath soap formulation, antibacterial activity test of essential oils and transparent solid bath soaps against Staphylococcus aureus ATTC 25923, organoleptic test (color, aroma, transparency, solidity, and foam) and quality test of transparent solid bath soaps (pH, water content, foam stability, saponification number, and transparency). The essential oils extracted from kamboja, sedap malam, and kenanga flowers were found to contain 17, 20, and 20 compounds, respectively. Based on the result of GC-MS analysis showed that the predominant chemical components in each essential oil were 1,1’-oxydi-2-propanol (21.01%) for kamboja, benzyl ethanoate (24.52%) for sedap malam, and caryophyllene (43.77%) for kenanga. Transparent solid bath soaps with the highest antibacterial activity against S. aureus ATTC 25923 were obtained in the formula added with kamboja, sedap malam and kenanga flowers essential oils at 3.0%, 3.0%, and 3.0%, respectively, with respective inhibitory power of 14.48 mm (strong), 13.73 mm (strong) and 13.56 mm (strong) in diameter. Organoleptic tests revealed that each soap type exhibited characteristic of the respective flower. All soap types demonstrated good quality based on parameters such as pH, water content, foam stability, saponification number and transparency. Keywords: Cananga ordorata L., essential oil, Plumeria alba L., Polianthes tuberosa L., transparent solid bath soap

This work studied examined the influence of ammonium acetate (CH3COONH4) on CMC/PVA-based solid polymer electrolyte (SPE) membranes, focusing on molecular vibration, proton conductivity, and physicochemical properties. SPE membranes were prepared via the casting solution method with varying CH3COONH4 concentrations to determine the optimal proton conductivity. Various characterizations, including FTIR, EIS, XRD, and TGA, were performed. The optimal membrane condition was achieved with 10 wt-% CH3COONH4 in the CMC/PVA (80/20) blend, yielding proton conductivity of 3.93×10⁻⁴ S/cm and favorable mechanical, thermal, and crystallinity properties, making it suitable for proton-conducting polymer applications. Keywords: ammonium acetate, carboxymethyl cellulose, ionic conductivity, poly(vinyl alcohol), proton battery, solid electrolyte membrane

ABSTRACT. The interaction between herbal remedies and drugs is a fascinating phenomenon that might cause therapeutic complications in patients. Warfarin is an anticoagulant drug that provides anti-blood-clotting effects by inhibiting the formation of vitamin K-dependent coagulation factors, and warfarin interacts with the nuclear receptor PXR, subsequently modulating cytochrome P450 during the metabolism process. St. John's wort, an herbal medicine with antidepressant effects, can alter the pharmacokinetics of warfarin. Thymoquinone is one of the active compounds in N. sativa and has pharmacological activities such as anticoagulant, antidiabetic, diuretic, antidepressant, and anti-inflammatory effects. In this study, we investigated the compounds in Nigella sativa (N. sativa) against pregnane X receptor (PXR) and evaluated the impact of thymoquinone (TQ) administration on PXR expression in HepG2 cells. The molecular docking analysis was conducted utilizing the Molecular Operating Environment (MOE) with the PXR (PDB ID: 7AXJ). At the same time, the PXR gene expression was measured using RT-PCR instruments. The RMSD value in docking represents the deviation criteria between the native ligand position and the redocking position result, indicating the capability of MOE and PDB qualification for performing molecular docking. The docking analysis showed that warfarin had the strongest binding energy (7AXJ -6.0507) by forming hydrogen binding type on Arg410. Despite TQ being the major component, it also displayed a high affinity for the two PDB IDs (7AXJ -4.5962). Furthermore, the concurrent administration of warfarin and TQ (19.27 μM) in HepG2 cells showed a significant reduction in the relative mRNA expression of the PXR gene. Given the above-mentioned findings, our study adequately enables us to predict the mechanism behind herb-drug interactions (HDIs) implicating N. sativa, specifically the TQ compound to warfarin metabolism via the activation of the PXR receptor. Keywords: Thymoquinone, expression mRNA, PXR, molecular docking, HepG2 cells.

ABSTRACT. Soybean mosaic virus (SMV) causes a decrease in soybean [Glycine max (Leguminosae) Merril] production. Activity of the Pseudomonas fluorescens (Pseudomonadaceae ) and chitosan can increase soybean plant resistance to SMV and stimulate plant growth. Therefore, The study aimed to evaluate the effect of increasing salicylic acid and total phenol contents on the biological control activity of P. fluorescens and chitosan against SMV. This study used two soybean varieties (Wilis and Anjasmoro) and three lines (GK/Mlg 3288-7-11, W/PI 200.485-7-14, and GK/PI200.485-7-2). Treatment using seed encapsulation with P. fluorescens combined with chitosan on the Wilis variety was the highest percentage of the total phenolic and salicylic acid content. In addition, Applying P. fluorescens with chitosan suppresses disease incidence on the Wilis variety and GK/Mlg 3288-7-11 line. Moreover, the ELISA absorbance value was low (0.182−0.224) and reacted negatively with no symptoms. Therefore, applying P. fluorescens combined with chitosan on the GK/Mlg 3288-7-11 line could be developed as the candidate variety for SMV control in the endemic soybean plant area. Keywords: Disease incidence, ELISA, induce systemic resistance, secondary metabolites, soybean.

ABSTRACT: An effective and facile method of generating nitrogen-doped carbon dots (N-CD) by microwave irradiation is presented in this study. A precursor, succinic acid (SA), and a nitrogen source, bis-(3-aminopropyl)-amine (BAPA), were used to obtain N-CD. A precious quantum yield (QY) of 49.0% was obtained from the preparation of N-CD, which was well-soluble in water. The N-CD material was highly selective and sensitive for the detection of nickel ion (Ni2+), with a detection limit of 0.26 μM and a linear concentration range of 5-175 μM. The quenching of the N-CD by the presence of Ni2+ was referred to formation of complexes because of the interaction of Ni2+ on the N-CD. Hence, the proposed study has great promise regarding Ni2+ detection in broad applications. Keywords: Microwave, Ni2+, nitrogen-doped carbon dots.

Jeruju (Acanthus ilicifolius) leaves ethanol extract contains flavonoids that function as an antiinflammatory source. So it is necessary to research to increase the utilization of ethanol extract of Acanthus ilicifolius leaves (A. ilicifolius L.) in encapsulations to increase the stability of antiinflammatory chemical compounds. Concentrated dyestuff extracts are often unstable, so they need to be converted into solid form, and one technique that can be done is encapsulation. Encapsulation aims to protect sensitive components of the material and reduce the degradation of active compounds in the material. The research method begins with preparing samples to be extracted with ethanol solvent, extract phytochemical screening tests, validation determination tests for the analysis method of ethanol extract levels of jeruju leaves, encapsulated formulations, encapsulated physics and chemical properties test and anti-inflammatory tests. In this research, the secondary metabolite compounds contained in the ethanol extract of Jeruju Leaves were flavonoids, phenolics, steroids, and saponins. The determination of the validation of the analysis method of ethanol extract levels of jeruju leaves was obtained by measurement using a UV-vis spectrophotometer and obtained extract levels of 1367,831 mg/g. This research used maltodextrin coating material for encapsulation formulation because it has low viscosity in many ratios, high solubility, has no taste. The freeze-dryer method was used in this study because it produces better drying quality than other drying methods. The physical property test was carried out by analysis using FTIR and SEM while the chemical properties of encapsulation obtained the highest yield proportion of 58.81%, and the highest solubility proportion of 98.76%. Anti-inflammatory testing is carried out using male mice as test animals. Anti-inflammatory testing in mice based on the Rat hind paw oedema method. The average percent inhibition of each dose administered is calculated based on the data results. The high average percent inhibition obtained for Diclofenac Na is 80%. In the research Encapsule 1:12, the 120 mg/KgBW dose had a significant percentage of inhibition of 75.55%, with Na Diclofenac dose of 10 mg/KgBW being 80%.