ABSTRACT. Apoptosis-inducing factor (AIF) is a protein that is crucial for apoptosis which its dysregulation has been connected to the emergence of cancer. Mitochondria are organelles that in healthy cells function as energy factories that are important for maintaining cell life. AIF is located in the mitochondrial intermembrane space with active sites, namely FAD and NADH. Meanwhile in the recent studies, quinone compounds have shown potential as anti-cancer agents by targeting mitochondrial function, but the mechanism is still unclear. In this study, we used computational methods, including molecular docking and the Divide-and-Conquer Density Functional Tight-Binding Molecular Dynamics (DCDFTBMD) method, a type of parametrized quantum calculation, to investigate the interaction between mitochondrial AIF and menadione, as a quinone compound with anticancer potential. From the calculation result, AIF interaction with menadione was stronger in the FAD domain than in NADH. The partial charges of the ligands before and after the interactions were calculated using the DCDFTBMD technique, and the results show that the charge in the bonding area becomes more negative. This indicates the strengthening of electrostatic interactions through polarization effects in the bonding molecule. Additionally, it was discovered through this study's data that all ligands interacted with the ser-175 residue in the AIF protein. These residues are modulated by the involvement of AIF in the cell death process. From this study, it can be concluded that menadione has the potential as an anticancer agent through the AIF modulation mechanism. Keywords: AIF, enzyme-catalyzed modulation, docking, quantum parametrization, menadione

Chalcones, a class of naturally occurring compounds, exhibit a broad spectrum of biological activities, including anticancer properties. In this study, a series of methoxylated chalcones were synthesized via Claisen-Schmidt condensation and evaluated for cytotoxic activity against breast cancer MCF-7 and prostate cancer DU-145 cell lines. The synthetic route involved Claisen-Schmidt condensation, leading to various methoxy-substituted chalcone derivatives. The structures of the synthesized chalcones were confirmed through NMR and mass spectrometry. Cytotoxicity was assessed using the PrestoBlue assay, with 4-bromochalcone (compound 2) displaying the highest cytotoxic activity against MCF-7 cancer cell lines (IC50 = 26.99 µM). These results indicate that methoxylated chalcones hold promise as potential lead compounds for the development of new anticancer agents targeting breast and prostate cancer.

ABSTRACT. Lignin is a valuable material that can be obtained from the black liquor generated during dissolving pulp production from lignocellulosic materials. Lignin can be used to produce biopolymers, fuels, value-added chemicals, and other functional materials. This study investigates the isolation and characterization of lignin from four lignocellulosic biomass sources i.e. Metroxylon sagu palm fronds (SPF), oil palm fronds (OPF), Cratoxylum arborescens, and Eucalyptus pellita using environmentally friendly soda–methylanthraquinone (soda–MAQ, 160 ºC for 1.5 h) pulping followed by acid precipitation with hydrochloric acid (pH 2.0-2.5). The lignin yield varied among the materials (68.3-88.8%), with E. pellita showing the highest recovery. SEM analysis revealed distinct differences in lignin morphology, where E. pellita lignin exhibited a more condensed and homogeneous structure compared to the more fragmented forms from non-wood biomass. FT-IR spectra confirmed the presence of guaiacyl, syringyl, and hydroxyl phenol units in all samples. EDX analysis supported the natural lignin composition, especially in E. pellita, OPF, and C. arborescens. Among the four sources, lignin from E. pellita demonstrated the greatest potential for value-added applications, followed by C. arborescens and OPF. These findings provide valuable insight into lignin recovery from diverse biomass and its suitability for further bioproduct development. Keywords: Biomass, characterization, dissolving pulp, lignin, soda-methylanthraquinone

ABSTRACT. Stachytarpheta jamaicensis, L. is a member of the Verbenaceae family. It is a medicinal plant easily found on vacant land and in rice fields in Banyuwangi. The present study is the first detail reported to examine the phytochemical compound and bioactivities of essential oil from S. jamaicensis L., using solvent-free microwave extraction (SFME). Forty chemical compounds were identified in the inflorescence and thirty in the leaves. β-caryophyllene, fulvoipolamiide, hexahydrofarnesyl acetone, t-phytol, neophytadiene, and squalene were identified in inflorescence oil. In contrast to the inflorescence, where these compounds were present in minor amounts, fulvoipolamiide, t-phytol, and squalene were the predominant components in the leaf oil. The IC50 values of leaves and inflorescence essential oils were 30.566 mg/mL and 52.510 mg/mL, respectively. Based on IC50 values, leaf essential oils have stronger antioxidant potential than inflorescence. Antibacterial and antifungal tests indicated that the leaf essential oil possesses greater antimicrobial efficacy than that of the inflorescence. These findings suggest that the essential oil of S. jamaicensis is a promising source of antioxidant, antibacterial, and antifungal agents, and holds potential for future pharmaceutical applications. Keywords: antibacterial; antifungal; antioxidant; medicinal plant

ABSTRACT. Chrysanthemum indicum flower is known as a Chinese medicinal plant and is consumed as a tea or food supplement. Several research reported the profiling metabolites of this flower using High-Performance Liquid Chromatography (HPLC) or Liquid Chromatography Mass Spectroscopy (LC-MS). However, there is a limitation of those methods, which are the yields several formula obtained by searching in database based on parent masses so give less effectiveness identify of compound. This study aimed to identify the metabolites in the ethanolic extract of C. indicum using a de-replication strategy by coupling Liquid Chromatography Orbitrap HRMS with a molecular network approach. This study also evaluated the total phenolic contents (TPC) using Folin-Ciocalteu method, Fourier Transfer Infrared (FTIR) Spectroscopy, while the scavenging activity against DPPH radical method was used to determine the antioxidant activity and the inhibition of α-glucosidase was conducted using α-glucosidase assay. The studies showed that there were diverse families of metabolites were putatively identified in C. indicum such as flavonoids and derivates, amino acids, fatty acids and derivates, phenol and derivates, terpenoids, and glucose. The detailed metabolites in extract were approached using application of molecular networking. In agreement with the molecular networking, the extract exerted strong antioxidant activity with % inhibition value of 76.20±1.35 at 100 µg/mL. Whereas, the α-glucosidase inhibitory activity showed good activity with % inhibition value of 83.04±0.52 at 50 µg/mL. The results of this study provide a new metabolite library for C. indicum ethanol extract as well as the confirmation of some of its biological activities. Keywords: Chrysanthemum, profiling metabolites, LC-HRMS

ABSTRACT. Phytoremediation with mono and polyculture systems of giant salvinia (Salvinia molesta) and water spinach (Ipomoea aquatica) plants for the treatment of batik wastewater has been carried out. This research aims to study the effect of giant salvinia and water spinach plants in reducing pollutant levels in batik wastewater, determine the order kinetics of Cu, TDS, and BOD reduction in monoculture and polyculture systems, and determine the effectiveness of Cu, TDS, and BOD reduction in monoculture against polyculture system. The research methodology included two main treatments, namely phytoremediation and data analysis. Phytoremediation was carried out by varying the combination of water spinach and giant salvinia plants with ratio of 0:100, 50:50, and 100:0 with a total plant mass of 100 gr. Analysis was conducted based on spectrophotometric and gravimetric principles. The results of the analysis were tested for significance by ANOVA test. Research data showed that polyculture of giant salvinia (Salvinia molesta) and water spinach (Ipomoea aquatica) could increase the effectiveness of reducing Cu metal by 91%, dye by 90%, and TDS by 36%. While polyculture system has better effectiveness in reducing Cu metal, TDS and dyes concentration than monoculture system, but the difference in effectiveness is not statistically significant. Keywords: Batik wastewater, Ipomoea aquatica, mono and polyculture, phytoremediation, Salvinia molesta.

ABSTRACT. This study evaluated the antibacterial activity of bioactive peptides derived from African Dwarf crossbreed and Kacang goat milk fermented with Lactobacillus acidophilus and Bifidobacterium longum. Bioactive peptide fractions were obtained using Sephadex G-25 column separation, and their antibacterial activity was assessed using the well diffusion assay. Inhibition zones were measured at different fermentation times to compare the activity profiles between the two probiotic strains. Fermentation with Lactobacillus acidophilus and Bifidobacterium longum produced bacteriostatic effects, with inhibition zones ranging from 1.10 mm to 1.77 mm and activity persisting up to 24–36 hours, depending on strain and fermentation condition. These findings show that goat milk fermented for 12–18 hours is capable of producing bacteriocin-rich peptide fractions with antibacterial potential. Keywords: Antibacterial, Bifidobacterium longum, Bioactive peptides, Goat milk, Lactobacillus acidophilus.

ABSTRACT. Lamotrigine (LTG), classified as BCS class II, is dissolved in cosolvent ethanol (EtOH) or ethyl acetate (EA) to enhance solubility. The objectives of this study are to identify the appropriate formulation of LTG orodispersible film (OF) based on hydroxypropyl methylcellulose Pharmacoat® 603 and polyvinyl alcohol (HPMC P.603/PVA) polymer with EtOH or EA solvency using Central Composite Design in Response Surface Methodology (CCD-RSM). An experimental approach was utilized to investigate the effect of cosolvent amount and HPMC P.603/PVA ratios on the film disintegration time (DT) and folding endurance (FE). The optimized OF-EA composition was 0.46 HPMC P.603/PVA ratio and 3.66% EA with a desirability of 0.817. In comparison, the optimal OF-EtOH composition was 0.87 HPMC P.603/PVA ratio and 6.19% EtOH with a desirability of 0.843. The characteristic data for the optimal formulas include: OF-EtOH: weight variation 92.05±4.81 mg, thickness 0.15±0.01 mm, DT 36.11±1.48 sec, and FE 310.33±5.03; and OF-EA: weight variation 93.72±1.50 mg, thickness 0.16±0.00 mm, DT 26.73±3.32 sec, and FE 470.6±37.44. Based on the OF-EtOH FE, the HPMC P.603/PVA ratio had a greater effect compared to the amount of EtOH (p<0.05). The analysis of variance (ANOVA) demonstrated that the amount of EA had a greater impact compared to the HPMC P.603/PVA ratio, with statistical significance (p<0.05). The EtOH cosolvent was preferable to EA based on the LTG solubility and OF dissolution profile. LTG OF had favorable physicochemical properties and showed promise as a rapid-dissolving formulation for therapeutic purposes. Keywords: Central composite design, cosolvency, disintegration time, folding endurance, oral film.

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. This study aimed to incorporate silver (Ag) in the mixture of chlorophyll-anthocyanin dyes to improve DSSC efficiency. This research evaluated the impacts of various natural dye modifications with different concentrations of Ag incorporation on the DSSC performance. Here, anthocyanin (A) was extracted from butterfly pea flowers, while chlorophyll (C) was extracted from spinach leaves. The two dyes were mixed with a volume ratio of (anthocyanin: chlorophyll) 1:3. From the ratio of anthocyanin: chlorophyll, the extraction of anthocyanin solution is 25% and chlorophyll is 75%. Ag was incorporated into the dye mixture (AC) with distinct concentrations of 0%, 3%, and 5%. The dyes were characterized using a UV-Vis spectrophotometer and Keithley I-V meter to investigate their optical and conductivity properties. The DSSC performance was assessed with a Keithley I-V meter. The yields exhibited that the Ag incorporation improved the absorbances and widened the absorption area of the AC dyes as compared to the single and mixed dyes without Ag addition. Further, the results demonstrated that Ag incorporation enhanced the conductivity of the AC dyes, showing that the values were 4.43×10⁻² (Ωm)⁻¹, 6.46×10⁻² (Ωm)⁻¹, and 8,21×10⁻² (Ωm)⁻¹ for 0%, 3%, and 5% Ag incorporation. Moreover, the conversion efficiency values obtained by DSSCs prepared with AC dyes, Ag-incorporated AC 3%, and Ag-incorporated AC 5% were 0.073%, 0.209%, and 0.111%, respectively that Ag incorporation could significantly advance the DSSC performance. This study found that the AC dyes incorporated with 3% Ag were he optimal composition to produce the optimal DSSC performance. Keywords: anthocyanin, chlorophyll, DSSC, dye, silver