Volatile organic compounds (VOCs) are important in defining aroma and acting as distinctive chemical signatures for food identification. In this context, culinary mushrooms have become increasingly popular in daily diets, particularly in Indonesia, which offers a rich diversity. Investigations on volatile phytochemical profiles of Indonesian culinary mushrooms has been limited. Therefore, this research aimed to thoroughly characterize the VOC profiles of Indonesian culinary mushrooms for the purposes of aroma discrimination and identification. The extraction and analysis of mushroom VOCs were carried out using solid phase microextraction gas chromatography-mass spectrometry (SPME-GC/MS). Principal component analysis (PCA) and orthogonal projections to latent structures discriminant analysis (OPLS-DA) successfully classified 13 Indonesian culinary mushrooms into 5 groups based on similar volatile chemical profiles, independent of genetic backgrounds. The results showed that markers contributing to the characteristic aroma of mushrooms, including 1-octen-3-ol, 3-octanol, octanal, and 3-octanone, were identified in nearly all samples. A. mesenterica, A. delicata, and L. squarrosolus were distinctly reported, with octanal, acetic acid, and 3-octanol serving as the strongest aroma markers, respectively.
A novel thiazole-based derivative (C1–C5) incorporating amide linkages was designed and synthesized by integrating the bioactive 3,4,5-trimethoxyphenyl and 2-aminothiazole scaffolds. The structural features of the compounds were confirmed by 1H-, 13C-NMR, and mass spectrometry. Computational docking studies against the CBS of tubulin revealed favorable binding affinities for C3 and C4, surpassing those of the reference compound CA-4. The MTT assays were used to test how well they could fight cancer by using the MCF-7 breast cancer cell line, with tamoxifen as the standard drug. Among the synthesized molecules, C1 and C3 exhibited the most potent cytotoxicity, reducing cell viability to 70–40%. The SAR analysis indicated that acyl substituents, particularly NO2 and CF3 groups, enhance cytotoxicity. Moreover, PASS prediction analysis indicated low to moderate toxicity risks, supporting the preliminary safety assessment of these compounds. Collectively, the results indicate that the synthesized thiazole derivatives serve as promising molecular scaffolds for the design of potent tubulin polymerization inhibitors with potential anticancer applications.
Pork is often used as a low-cost adulterant in place of beef or chicken, making its identification particularly important in processed meat products such as meatballs. This study investigates the use of Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) to detect pork contamination in meatball products. This technique offers a rapid and cost-effective means of analysis. However, the spectral differences among meat types are subtle and not easily discernible by visual inspection alone. To improve differentiation, Principal Component Analysis (PCA) was employed to highlight variations in spectral data. Fresh pork, beef, and chicken samples were sourced from a local supermarket, and meatballs were prepared in a lab. Spectral data were recorded across the 400–4000 cm−1 range. PCA results showed that the first and second principal components clearly separated uncontaminated samples from those adulterated with pork. Complementary PLS-DA analysis (5-fold cross-validation) quantified the spectral separation: beef vs. pork (accuracy = 94.7%, BER = 5.7%), chicken vs. pork (accuracy = 100.0%, BER = 0.0%), beef-meatball vs. pork-meatball (accuracy = 100.0%, BER = 0.0%), and chicken-meatball vs. pork-meatball (accuracy = 100.0%, BER = 0.0%). This approach demonstrates the potential of ATR-FTIR combined with PCA as a robust analytical method for meat authentication, offering a practical solution for quality control and food safety in the meat processing industry.
Universally, the usage of unlawful drugs is one of the serious matters that reduces the prosperity and health of the users and communities. Methamphetamine (MAPA) is one of the illicit drugs that is fabricated in clandestine laboratories. It is considered one of the most harmful drugs spreading among youths around the globe. Therefore, the development of sophisticated sensing technology for its rapid and accurate detection is required. Sensors consist mainly of a recognition element, a transduction element and a signal processor for detecting MAPA and recording its chemical concentration. Different chemical sensors, such as optical, magnetic, thermal and electrochemical sensors have been utilized. They differ in the working mechanism and the type of measured signal. The aim of this review is to provide a summary of the up-to-date advancements in optical and electrochemical sensors that have been used for MAPA detection in different samples, particularly from 2012 to 2025.
The renewable energy transition demands efficient energy storage, where lithium-ion batteries (LiBs) are crucial for battery energy storage systems (BESS). This study reports the hydrothermal synthesis and characterization of nitrogen-doped graphene (NDG) from puspa wood biomass for anode applications. Puspa wood contains approximately 43.98% carbon with a low ash content of 1.256%, indicating its suitability as a carbon precursor. Through carbonization and graphitization, amorphous carbon was successfully transformed into an ordered graphite structure, as confirmed by the disappearance of –OH groups (3400–3600 cm−1) in Fourier-transform infrared (FTIR) spectra and by X-ray diffraction (XRD) peak shifts from 23.50° to 26.50°. Subsequent oxidation produced graphene oxide (GO) characterized by carbonyl (C=O) groups at 1704 cm−1, while nitrogen doping introduced C–N (1200 cm−1) bonds, resulting in the formation of NDG. Nitrogen doping is known to enhance electrochemical properties. These findings highlight puspa wood as a promising precursor for NDG synthesis and provide a foundational material characterization that supports its further electrochemical investigation. This study demonstrates the promise of puspa wood biomass as a sustainable carbon source for advanced anode materials, contributing to eco-friendly battery technology.
Indonesia has a diverse range of cocoa genotypes. However, research on how these genotypes and post-harvest processing affect the antioxidant activity of cocoa beans remains limited. This research aimed to identify the infrared (IR) spectral regions of Indonesian cocoa beans affected by genotype and post-harvest treatments (fermentation and roasting) and to determine which IR regions are associated with in vitro antioxidant activity (DPPH, ABTS, and FRAP assays). The study combined an ATR-FTIR spectrophotometer, antioxidant assays, and multivariate analyses (PCA, OPLS-DA, and OPLS). PCA revealed significant variation due to post-harvest processing, whereas genotypic differences were not distinguishable in the IR spectra. OPLS-DA and OPLS identified IR spectral markers for unfermented, fermented, roasted, and antioxidant-rich cocoa beans. C–H out-of-plane deformation (986–989 cm−1) marked unfermented and antioxidant-rich samples. Fermented beans showed alkyl ketones (1222–1230 cm−1), aromatic aldehydes (1387–1389 cm−1), and carboxylic acid C=O vibrations (1649–1651 cm−1) signals. Roasted beans exhibited alkyl pyrazine peaks at 1508, 1518, 1557, and 1598–1600 cm−1. These findings confirm that ATR-FTIR fingerprinting combined with multivariate analysis effectively identifies antioxidant-related functional groups and processing-specific markers. This approach provides a practical tool for quality control in the cocoa industry across various genotypes and post-harvest treatments.
This study explores the nutritional, phytochemical, and antimicrobial properties of spent coffee grounds (SCGs) collected from cafes in Sakon Nakhon Province, Thailand. Proximate analysis showed high contents of carbohydrates (48.23%), crude fiber (19.69%), and protein (10.10%). Fatty acid profiling revealed linoleic acid (41.06%) and palmitic acid (36.27%) as major components, along with essential omega-6 and omega-3 fatty acids. Phytochemical screening indicated the presence of flavonoids and phenolics (16.11 mg GAE/g DW), which may contribute to bioactivity. SCGs also exhibited favorable soil-enhancing properties, with high organic matter (66.89%) and organic carbon (38.81%), and moderate levels of N, P, K, Ca, and Mg. The extract demonstrated selective antibacterial activity against Escherichia coli (15.20 ± 0.98 mm inhibition zone) but not Bacillus subtilis, likely due to differences in cell wall structure. These findings suggest the potential use of SCGs in soil amendment, composting, and bioactive compound recovery. However, pretreatment is recommended due to their low pH and moderate phytotoxicity, underscoring their potential as a sustainable, value-added resource for agricultural, cosmetic, and chemical applications.
A membrane composite polymer liquid crystal of Polymethyl Methacrylate with Mesogen Reactive 257, doped with lithium ions (PMMA-RM257-Li), has been successfully synthesized. Synthesized PMMA-RM257-Li using methods of UV exposure to polymer solutions and were made with RM257 variations of 10, 30, 50, 70 and 90 wt.%. Membrane composite polymer PMMA-RM257-Li was characterized by FTIR where absorption peaks appear at wavenumbers 2935 cm−1 indicating the-CH3 functional group, 1730 cm−1 indicating the C=O functional group, and 1630–1660 cm−1 indicating the presence of aromatic groups. Analysis of crystallinity by XRD results showed that the membrane polymer PMMA-RM257-Li is semicrystalline. The composite membrane obtained optimum test results at the addition of 50 wt.% RM257 with an ionic conductivity of 1.01 × 10−3 S/cm and an ion exchange capacity value of 0.02385 meq/g. This study shows that the addition of 50 wt.% RM257 provides the most optimal membrane characteristic results. The characterization results showed that the addition of lithium ions to the manufacture of PMMA-RM257 membranes improved the membrane's capabilities for membrane fuel cell technology.
Breast cancer remains a leading cause of mortality in women, highlighting the need for novel therapeutics. Quercetin, a natural flavonoid, shows anticancer potential but suffers from poor pharmacokinetics. To enhance its activity, 23 quercetin derivatives were designed as the flavonoid derivatives (FLD) series and evaluated using an integrated in silico workflow, including Lipinski’s rule-of-five assessment, molecular docking against the estrogen receptor alpha (ERα; PDB ID: 3ERT), and ADMET prediction. Based on docking scores and favorable ADMET profiles, FLD-4, FLD-5, and FLD-6 were selected for 100 ns molecular dynamics simulations. FLD-4 exhibited the highest stability with an average RMSD of approximately 0.30 nm, while FLD-6 showed larger fluctuations (0.45 nm). SASA analysis revealed more compact structures for FLD-4 and the control ligand (131–133 nm2) compared to quercetin and FLD-6. RMSF analysis confirmed reduced terminal residue flexibility for FLD-4 and FLD-5 (< 0.9 nm), whereas quercetin and FLD-6 fluctuated > 1.0 nm. MM-PBSA analysis further identified FLD-4 as the most stable complex (−205.409 ± 17.844 kJ/mol). Collectively, these results indicate that FLD-4 forms a stable, compact complex with improved binding affinity and drug-likeness, supporting its potential as a lead compound for flavonoid-based breast cancer therapy.
Malachite green (MG) is a compound commonly used as a dye for silk, leather, wool, cotton, and paper. It is also dangerous for the environment. This study explores the transport of MG using the copolymer (eugenol diallyl phthalate) 10% with the polymer inclusion membrane (PIM) method. The PIM was prepared by dissolving the carrier copolyeugenol diallyl phthalate 10%, polyvinyl chloride (PVC), and dibenzyl ether (DBE) in tetrahydrofuran (THF). This research investigated pH variations in the source phase, HNO3 concentration in the receiving phase, membrane thickness, carrier concentration, transport duration, and a competition study of MG transport in synthetic wastewater. The concentration of MG after transport was measured using UV-vis spectrophotometry at a wavelength of 614 nm. The results showed that the PIM with 10% copolyeugenol diallyl phthalate effectively transported MG with an efficiency of 88.28% under optimal conditions: a source phase pH of 9, an HNO3 concentration of 0.75 M, a PIM thickness at T54, and a transport duration of 12 h. The membrane lifetime reached up to 69 days, particularly when NaNO3 salt was added to the source phase.
The global energy crisis caused by dependence on fossil fuels has accelerated the search for renewable and sustainable energy sources, such as the proton exchange membrane fuel cell (PEMFC). This study aimed to develop cellulose acetate–graphene oxide (CA–GO) composite membranes with different GO concentrations (0–2%) to enhance proton-exchange performance. Cellulose acetate was characterized by molecular weight determination and Fourier-transform infrared spectroscopy (FTIR), while graphene oxide was synthesized via the Hummers method and analyzed using X-ray diffraction (XRD), FTIR, and electrochemical impedance spectroscopy (EIS). The CA–GO membranes were fabricated by the phase-inversion method and evaluated for mechanical strength, swelling ratio, ion-exchange capacity (IEC), proton conductivity, and methanol permeability. The membrane containing 2% GO showed the best performance, with a Young’s modulus of 1.344 MPa, swelling ratio of 7%, IEC of 0.147 meq/g, methanol permeability of 1.2 × 10−3 kg/m2·s, and proton conductivity of 1.59 × 10−4 S/cm. FTIR analysis indicated hydrogen bond formation between CA and GO, while SEM revealed a heterogeneous surface morphology. These results demonstrate that incorporating 2% GO improves the mechanical strength and proton conductivity of CA membranes without significantly increasing methanol permeability, indicating potential for PEMFC applications.
The global rise of antibiotic-resistant bacteria poses a critical health challenge, necessitating the discovery of new antibacterial agents. In this study, three hydroxyxanthone derivatives, 1,5-dihydroxyxanthone (HX1), 1,6-dihydroxyxanthone (HX2), and 1,7-dihydroxyxanthone (HX3) were synthesized in 3.5, 38.2, and 17.54% yields, respectively. In vitro assays revealed that all compounds were inactive against Escherichia coli (MIC > 1000 µg/mL) but exhibited potent inhibition of Pseudomonas aeruginosa (MIC 15.62 µg/mL). Compounds HX1 and HX3 also demonstrated strong activity against Staphylococcus aureus and Bacillus subtilis (MICs of 15.62 µg/mL), while HX2 showed moderate activity (MIC of 31.25 µg/mL). Molecular docking indicated favorable binding energies (–6.23 to –6.68 kcal/mol) toward DHFR from E. coli and S. aureus, surpassing those of trimethoprim and tetracycline. Molecular dynamics simulations confirmed stable ligand–protein interactions, and ADMET analyses potential drug-likeness and pharmacokinetic profiles. Overall, HX1 and HX3 emerge as promising lead scaffolds for the development of novel DHFR-targeted antibacterial agents against both Gram-positive and Gram-negative pathogens.
A novel ligand ((1E)-(2-(4-fluorobenzylidene)amino)methyl) phenyl)diazenyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (4-FADPD) was synthesized via the azotization reaction of 2-aminobenzylamine with caffeine, and the resultant compound was condensed with 4-fluorobenzaldehyde to form a newly azo-Schiff base ligand. Its complexes with Cu(II), Ag(I), and Au(III) were synthesized. The results of multi-identifications, including XRD, elemental analysis (C.H.N), UV-vis spectroscopy, FTIR, and 1H-NMR, were used to propose the suggested structures using molar conductivity measurements. These data were utilized to propose appropriate geometric configurations for all complexes. The azo-Schiff base ligand coordinates toward the Cu(II) ion in octahedral geometry and Ag(I) ion in tetrahedral geometry, whereas the Au(III) ion gives it a square planar structure. Nanoparticle size was determined using scanning microscopy (FE-SEM). Significant antiproliferative activity was observed with the Au(III) nanocomplex against human lung cancer (A549) cells, compared with normal cell lines (HDFn), as indicated by the IC50 values. The purpose of our research is to prepare new nanocomplexes derived from caffeine and to demonstrate the effectiveness of an Au(III) nanocomplex against lung cancer as a future treatment that may benefit pharmaceutical preparations.
The presence of water during downstream oil and gas production can cause corrosion and blockages through reactions with CO2 and H2S. Zeolites are effective desiccants for moisture adsorption due to their microporous aluminosilicate framework. In this study, zeolite A was synthesized hydrothermally by varying the Si/Al molar ratio (0.80, 1.14, 1.80) and temperature (70, 100, 130 °C) to identify the optimal conditions for moisture adsorption. XRD analysis revealed that the zeolite synthesized at a Si/Al ratio of 1.14 and 130 °C achieved the highest crystallinity (97%), comparable to commercial molecular sieve A. Surface area analysis (BET) showed that this synthesized zeolite exhibited a surface area of 127.48 m2/g and a pore diameter of 53 Å. The adsorption capacity test in a humidity chamber demonstrated a value of 0.188 ppmv for the synthesized zeolite, compared to 1.101 ppmv for the commercial molecular sieve. The lower adsorption efficiency was attributed to reduced surface area, incomplete crystallinity, and diffusion limitations. Nevertheless, the optimized synthesis route produced zeolite A with desirable structural and textural properties, offering a cost-effective and environmentally friendly alternative desiccant for gas dehydration applications in the oil and gas industry.
Electrochemical synthesis can produce graphene-like materials containing structural defects, known as electrochemically exfoliated graphene (EEG), due to the presence of oxygen functional groups. These defects provide active sites for the adsorption of chromium ions. This study aims to determine the effect of voltage variation on the electrochemical exfoliation of graphite, specifically to identify the optimal voltage for producing EEG materials with the highest chromium adsorption capacity. We exfoliated graphite rods from dry-cell waste in a 0.2 M sulfuric acid solution at 5, 10, 15, and 20 V. The EEG was characterized with FTIR and Raman spectroscopy. The adsorption capacity was measured by AAS using 0.1 g of adsorbent in 10 mL of a 50 ppm Cr(VI) solution at pH 2 for 1 h. FTIR confirmed samples are reduced graphene oxide, showing hydroxyl, epoxy, carbonyl, carboxyl, and sulfonate groups. Raman spectroscopy revealed that EEG_15V was the most graphene-like, with the highest I2D/ID ratio. EEG_15V had the greatest Cr(VI) adsorption capacity at 5.27 mg/g.
We aimed to develop a simple, fast, and inexpensive colorimetric approach for detecting lead(II) ions in solution by forming a complex with 1-(1-benzyl-2-oxoindolin-3-ylidene)thiosemicarbazide. A detailed description of spectrophotometric lead(II) determination is provided. When combined with the N-benzyl-isatin-thiosemicarbazone ligand (L) in a slightly acidic solution (pH 12), lead(II) produces a yellow chelate. The molar absorptivity of the complex at 253 nm (λmax) is 1.9 × 103 L mol−1 cm−1, and the quantification limit is 2.28 µg mL−1 (11 µM), whereas the detection limit is 0.73 µg mL−1 (3.5 µM). The concentration range when Beer's law is observed is from 9.7 × 10−6 to 1.9 × 10−4 M. We studied the structure and stoichiometry of the Pb(II) and L complex in solution through the synthesis of the solid complex (PbL) and proved using the analytical techniques such as FTIR, NMR, UV-vis spectroscopy, SEM, and thermal analysis. Lead(II) recovery percentages in lipstick samples were determined using the developed method, with results ranging from 88.1 ± 1.9 to 117.3 ± 1.1%. The high lead(II) recovery rate from the samples indicates the effectiveness of the developed method and its potential use for accurate measurement and quality assessment of lead(II) in various samples.
The migration of compounds from food packaging is a growing global food safety concern, one that the Indonesian government is also addressing. This study specifically investigates the migration of compounds from tea bag articles. Utilizing liquid chromatography-quadrupole time-of-flight (LC-QToF) for non-target analysis, the research aimed to identify unknown compounds that leach from tea bags into brewed infusion as a preliminary step for further investigation. This research employed data-independent acquisition (DIA) to obtain more comprehensive data in a single run. Effective analytical procedures were applied to evaluate complex resulting data, enhancing the accurate and efficient identification of unknown compounds. The ESI+ dataset contained 97 unique responses, corresponding to 46 unknown compounds, while the ESI- dataset contained 57 unique responses, corresponding to 26 unknown compounds. Non-target screening tentatively identified plastic monomers, flame retardants, pesticide residues, and degradation products, some of which present potential health hazards. Among the candidates, two suspected compounds with potential health risks, glufosinate and 9-vinylanthracene, were identified. These two compounds show significant correlations with other identified substances, indicative of possible underlying relationships. Additionally, an assessment identified commonalities in the profiles of samples containing these compounds. These correlational insights can streamline subsequent investigations by priority consideration.
Gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS) methods were used to simultaneously isolate and determine phytochemicals in the Hibiscus sabdariffa leaf extract. GC-MS analysis revealed the presence of oleic acid (52.05%), hexadecenoic acid (19.78%), and docosenoic acid (7.62%). LC-MS analysis identified six flavonoids and four phenolic acids. Quantitative analysis of some identified phenolic compounds (mg/g in dried leaves) showed the presence of quercetin-rutinoside (11.87), neochlorogenic acid (5.64), and quercetin (4.75). The total phenolic content of the extract, determined using the Folin-Ciocalteu assay, was 22.2 mg GAE/g. The in vitro antioxidant activity was measured by the ABTS radical cation decolorization assay (135.7 µmol trolox/g). The antibacterial activity was evaluated using the disc diffusion method against three Gram-positive bacteria and three Gram-negative bacteria. The leaves extract demonstrated antibacterial activity against all tested bacteria, with inhibition diameters ranging from 8 to 28 mm. The binding energies for ciprofloxacin, levofloxacin, and quercetin, ranging from −5.2 to −5.8, suggest strong interactions with the B subunit of DNA gyrase and the ParE subunit of topoisomerase IV. The study indicates that H. sabdariffa leaf extract has potent antioxidant and antibacterial properties. Additionally, quercetin from H. sabdariffa shows antibacterial potential against DNA gyrase and topoisomerase.
This study investigated lipase inhibition activity (a new bioactivity relating to managing diseases of obesity) of whiteleg shrimp (Litopenaeus vannamei) head (WLSH) protein hydrolysate and its peptide fractions, contributing to enhance value for the shrimp processing by-product. Firstly, single-factor tests were performed to select appropriate levels for three hydrolysis parameters, encompassing WLSH powder-to-water ratio, enzyme-to-substrate (E:S) ratio and hydrolysis time. The best hydrolysis condition included a WLSH powder-to-water ratio of 1:5 (w/v), an E:S ratio of 40 U/g protein, and a hydrolysis time of 4 h, yielding the protein hydrolysate with the highest lipase inhibition activity of 31.60 ± 0.58%. Notably, the hydrolysate retained over 93% its native activity after pH (1–9) or heat (100 °C, 30 min) treatment. Moreover, it was rich in essential amino acids, comprising 39.95% of its total amino acid content. In addition, the hydrolysate was fractionated using ultrafiltration with sequential molecular weight cutoffs of 30, 10, 3 and 1 kDa. This process yielded the < 1 kDa peptide fraction with elevated lipase inhibition activity (33.67 ± 0.28%). These findings could be beneficial for the application of the WLSH hydrolysate and its < 1 kDa peptide fraction in the development of functional foods or nutraceuticals.
The new azo dye ligand 1-(2,4,6-trihydroxy-3-(2-hydroxy-phenylazo)phenyl)ethanone (H2L) was produced by reacting the diazonium salt derived from 2-aminophenol, with 2,4,6-trihydroxyacetophenone. This ligand was used to create several azo dye-metal complexes through reactions with salts of V(IV), Fe(III), Cr(III), Mn(II), Mo(VI), and Ru(III). The ligand was characterized using 1H- and 13C-NMR spectroscopy. The metal complexes were analyzed via UV-vis, FTIR, MS, thermal analysis (TGA, DSC), conductivity measurements, magnetic susceptibility, metal/chlorine content, and melting point determination. The results showed that the ligand acts as a tetradentate ligand with Ru, Mo, and VO, and as a tridentate ligand with Cr, Mn, and Fe. All complexes were octahedral in shape, except for the vanadium complex, which exhibited a square pyramidal structure. All complexes exhibited non-electrolytic properties. The compounds' capacity to act as antioxidants was assessed by measuring their ability to inhibit the DPPH free radical, with ascorbic acid serving as a standard reference. The half-maximal inhibitory concentration (IC50) values were determined, revealing the following order of activity: H2L > Ru-complex > Fe-complex > ascorbic acid = VO-complex = Mo-complex > Mn-complex > Cr-complex. The compounds were also tested for antibacterial and antifungal activity at two concentrations.
