Chemical Activation Research Articles

Insights into the Adsorption Mechanism of Chlorpyrifos on Activated Carbon Derived from Prickly Pear Seeds Waste: An Experimental and DFT Modeling Study

The removal of chlorpyrifos (CPF) from water was achieved using activated carbon (AC) derived from prickly pear seeds (PPS) wastes, developed through chemical activation with phosphoric acid. Several physico-chemical characterization methods were employed. The determination of surface functions using the Boehm assay indicated that the processed AC predominantly possesses acidic functions. The results obtained from the Boehm assay were corroborated by the pH value of the point of zero charge (pHpzc), which was equal to 2.5. Specific area calculation by the BET (Brunauer Emmett Teller) method revealed a large specific area (SBET) of 1077.66 m2 g⁻1. Adsorption experiments of CPF on AC demonstrated that the pseudo-second order (PSO) model and the Freundlich model were the most suitable for kinetic and isothermal modeling, respectively. The maximum CPF adsorption capacity of the PPS AC was found to be approximately 35 mg g⁻1. A theoretical study employing the density functional theory (DFT) was conducted using the B3LYP/6-311G (d, p) method. The most reliable adsorption energy (Eads) and Gibbs free energy (ΔGads) values between CPF and the functional groups on the AC surface were calculated. Results indicated a strong interaction between the lactone group of AC and CPF (ΔGads = -7.15 kcal mol⁻1, ΔEads = -21.55 kcal mol⁻1) and the hydroxyl group (ΔGads = -6.61 kcal mol⁻1, ΔEads = -20.66 kcal mol⁻1). This study demonstrates that activated carbon possesses significant adsorption power, making it highly effective for depolluting water contaminated by pesticides. The application of the theoretical DFT method enhances the understanding of the adsorption phenomenon of CPF on AC.

Two new cyclobutane derivatives of thiazolidin-4-ones: Synthesis, spectroscopic characterization, DFT quantum chemical calculations and determination of protonation constants

In the first stage of this study, 2-((4-(4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl)imino)thiazolidin-4-one (compound 1) and 2-((4-(3-(2,5-dimethylphenyl)-3-methylcyclobutyl)thiazol-2-yl)imino)thiazolidin-4-one (compound 2) were synthesized, characterized using FT-IR and NMR methods, and a combination of experimental and theoretical studies of the title compounds was performed. With the aid of the 6-311+G(d,p) basis set, all theoretical computations were performed using the density functional theory (DFT) B3LYP approach. The GIAO approximation was used to compute the chemical shifts of 1H and 13C-NMR. Theoretical calculations provide detailed information on chemical activity and molecular properties by determining electrophilic and nucleophilic properties. Accordingly, global chemical activity descriptors (FMOs, hardness, and softness parameters) were investigated, natural bond orbital (NBO) analyses were performed, thermodynamic properties at different temperatures were calculated, and the related relationships with temperature were obtained. The experimental and calculated NMR data presented consistent results for both compounds. R2 values for the 1H-NMR and 13C-NMR of compound 1 are 0.9914 and 0.9988, respectively. For the second compound, 2, these values are 0.9957 and 0.9962, respectively.In the second stage, the acid-base equilibria of title compounds containing cyclobutane, thiazole, and thiazolidinone functional groups were investigated potentiometrically in 60% dioxane-water media at room temperature and constant ionic strength. The values of the protonation constants determined in this study, logKNH(1) and logKNH(2), are related to the protonation of the azomethine nitrogen atom and the nitrogen atom on the thiazole ring, respectively. The sum of these values is the total protonation value of title compounds. The total protonation constants for compounds 1 and 2 are 10.59 and 10.58, respectively.

Sulfur modified N-doped carbocatalysts promote the selectivity for H2S selective oxidation

Sulfur element is widely applied as a non-metallic dopant into carbon framework for the modulation of their chemical activities. An interesting question is whether the intrinsic catalytic performances for the H2S selective oxidation to sulfur can be manipulated by sulfur element introduction into carbocatalysts. In this study, we employ a simple solvent-free method to introduce S atoms into framework of N-doped carbocatalysts, resulting in a notable enhancement of the product S selectivity with negligible loss of H2S selective oxidation. The experimental results show that the as-synthesized N-S-C-2 catalyst exhibits a H2S conversion of 97.5 % and sulfur selectivity of >80 % at a high O2-to-H2S ratio (2.5) under continuous mode (over the dew point temperature of sulfur, c.a. 210 °C), while also demonstrating robust stability (> 100 h), anti-CO2 (up to 50 vol%) and anti-oxidation properties. Kinetic analysis and H2S/O2-TPD-MS results reveal that S introduction attenuates the adsorption and dissociation of H2S and O2 by the N-doped carbon catalyst. Furthermore, density functional theory calculations elucidate that S doping elevates the adsorption energies of H2S and O2 at the pyridinic N site, thereby moderately reducing the adsorption of H2S and O2, consequently preventing the over-oxidation of H2S to SO2 and enhancing S selectivity. The double doping promotion effect of carbon materials reported in this investigation offers an alternative insight for the development of highly selective carbon desulfurization catalysts.

One-step microwave pyrolysis-H3PO4 activation of woody biomass: Insight into the product characteristics and life cycle assessment

Microwave-assisted pyrolysis coupled with chemical activation was developed to prepare the woody biomass-derived activated carbon (AC) with desirable structural characteristics. In this study, sawdust powder was impregnated with phosphoric acid before being microwave-pyrolyzed to achieve AC. The utilization of microwave greatly enhanced the transformation of volatiles into gaseous components, and the yield of char increased when phosphoric acid accelerated the secondary polymerization of volatile matters. Microwave-induced activation may alter the interaction between activator and sawdust-derived organic species, enriching the categories of oily components. The char originating from microwave-activation treatment has a high graphitization degree, exhibiting superior thermal stability and hydrophilic property. Moreover, one-step microwave-activation approach increased specific surface area (978.2 m2g−1 versus 13.0 m2g−1 in conventional pyrolysis) and improved the formation of porous structure. The life cycle assessment analysis revealed that microwave-activation technique had a low environmental impact due to enhanced heating efficiency and reduced energy consumption.

Synthesis, Characterization and Electrochemical Performance of Bi2S3/Rice Husk-Based Activated Carbon Composites As Lithium Ion Battery Anodes

This study investigates the impact of hydrothermal duration on bismuth sulfide/activated carbon composites (Bi2S3/AC) by varying the duration to 8, 24, and 48 hours. The primary aim is to delineate the composite characteristics and electrochemical performance of Bi2S3/AC composites, aiming to produce anodes for lithium-ion batteries with high capacity, excellent cyclic stability, and minimal volume expansion. Activated carbon derived from rice husks was synthesized via a carbonization process and chemical activation using H3PO4 as an activator. Subsequently, the synthesis of Bi2S3/AC composites used bismuth nitrate pentahydrate and thiourea precursors through the hydrothermal method that involved three variations of hydrothermal duration: 8, 24, and 48 hours, denoted as BC8, BC24, and BC48, respectively. The FTIR test indicates the presence of Bi-S, C=C, and C-O groups in the three composite products, signifying the existence of bismuth sulfide and activated carbon. The XRD result reveals orthorhombic crystal forms in the composites, while the SEM-EDX mapping illustrates particle morphologies resembling flower-like shapes. These compositions comprise Bi 74.16%, S 11.37%, and C 10.43%. The GSA test suggests a mesoporous pore size in these composites. In final result, BC24 exhibits the highest electrical and ionic conductivity, measuring 2.12 × 10−3 S.cm−1 and 2.057 × 10−4 S.cm−1, respectively. The CV data of the BC24 composite indicates two reduction and oxidation peaks in the first cycle. Charge-discharge test on the BC24 composite exhibits a specific charge capacity of 445.51 mAh/g and a discharge capacity of 364.24 mAh/g.

Analysis of the electrical conductivity and activation energies of bismuth titanate (Bi4Ti3O12)

In this study, bismuth titanate (Bi4Ti3O12) was synthesized from pure solid compounds and structurally characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS). The electrical properties were evaluated by measuring the electrical conductivity of Bi4Ti3O12 at various oxygen partial pressures (pO2 = 10−5 and 10−8 atm) and temperatures (450 °C-750 °C). The electrical conductivity behavior was assessed during the heating and cooling processes. The material activation energies were determined based on the heating curve, which displayed Arrhenius-type behavior and activation energy slope changes, which could be attributed to point defects. When the temperature was increased from 450 °C to 750 °C at oxygen partial pressures pO2 = 10−5 atm, the electrical conductivity increased by about 62.9 %, whereas when the temperature decreased from 750 °C to 450 °C, the electrical conductivity was reduced by 35.95 %. The electrical behavior of Bi4Ti3O12 was analyzed by establishing its electrical conductivity and chemical activity under different oxygen partial pressures and heating-cooling conditions can allow the synthesis of materials with attractive characteristics for electronic applications.

Developing adjustable micro- and mesopore structured carbon materials from wood via biotechnology for enhanced capacitive deionization

Capacitive deionization (CDI) has attracted significant investigation interest for its potential in low-cost, efficient, and non-selective ion removal. However, achieving high performance in adsorption capacity and efficiency remains challenging, particularly with conventional biomass-derived electrodes. In this study, we developed adjustable, intricately porous, and hydrophilic wood-derived nanocarbon electrodes for electrochemical deionization. Our approach utilized biological pretreatment white-rot fungi, followed by chemical activation, effectively disrupting the rigid crystalline-amorphous structure of wood to create open micro-mesoporous networks. The resulting CDI carbon electrodes featured a predominance of micropores (especially below 0.8 nm) and a pronounced mesoporous arrangement, with a specific surface area of 1788 m2/g and 48 % meso-porosity. Additionally, this process enhanced surface oxidation and nitridation, resulting in surfaces rich in oxygen- and nitrogen-containing functional groups. These characteristics enable the electrodes to achieve a maximum adsorption capacity of 28.78 mg/g within 30 min, outperforming the performance of common biomass-derived electrodes. Moreover, the electrodes demonstrated excellent adsorption capacities for other contaminants, including 29.76 mg/g for NaF, 30.12 mg/g for Cd(NO3)2, and 27.24 mg/g for Pb(NO3)2. This study offers a cost-effective and viable alternative to current CDI electrodes, advancing the field by providing a viable solution to the limitations of existing technologies.

Study of Methylene Blue dye adsorption onto biochar derived from Austrocylindropuntia subulata plant

Abstract The reuse of treated wastewater in drinking water supply and irrigation emerges as a potent solution to address water scarcity. Recent years have witnessed a growing interest in wastewater treatment using ecological, non-toxic, and biodegradable materials. In this study, Austrocylindropuntia subulata was employed for the first time to adsorb a synthetic dye, methylene blue. The feedstock underwent pyrolysis followed by chemical activation using orthophosphoric acid, resulting in the formation of biochar. Characterization through SEM, XRD, and FTIR analyses reveals that the biochar surface possesses functional groups such as alcohol and amide. Microscopic images highlight a diverse array of particle shapes and sizes, along with varying proportions of calcium and carbon in the biochar. Adsorption tests demonstrate that the optimal mass of biochar is 0.5g, ensuring a remarkable 99.8% adsorption of methylene blue dye within a 30 minutes contact time. The findings of this study underscore the compelling adsorbent capabilities of biochar derived from the Austrocylindropuntia subulata plant, suggesting its potential as a valuable resource in wastewater treatment.

A Breakthrough in the Application of Simonkolleite in All‐Solid‐State Zn‐Graphite Battery

ABSTRACTTo enhance the electrochemical performance of the Zn solid‐state battery, we introduce simonkolleite as a novel anode material. With oxygen vacancies on its surface, simonkolleite exhibits both electrical and chemical activity; these vacancies serve as n‐type donors, significantly improving the material's conductivity. In this research, simonkolleite is synthesized using a straightforward and cost‐effective method and employed as the anode. The all‐solid‐state Zn battery combines the simonkolleite anode, sodium silicate (SS) electrolyte, and graphite film (GF) cathode. Our battery configuration (simonkolleite/Ingot SS/GF) achieves a high 1280 mAh g−1 capacity and demonstrates improved cyclic stability. The large‐scale module battery can also power a motor‐fan unit for 1 h and 19 min.

Exploring of Chemical Profile and Biological Activities of Three Ocimum Species From Comoros Islands: A Combination of In Vitro and In Silico Insights.

Ocimum species have a great interest in different traditional medicinal systems. This study examined the chemical composition, antioxidant properties, enzyme inhibitory effects, and antibacterial and antifungal activities of the aerial parts of Ocimum gratissimum, Ocimum americanum, and Ocimum basilicum from the Comoros Islands. The extracts were analyzed using high-performance liquid chromatography-mass spectrometry (HPLC-MS) to determine their chemical composition. Antioxidant activity was assessed using 2,2-Diphenyl-1-picrylhydrazyl (DPPH), 2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS), cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), chelating ability, and phosphomolybdenum radical scavenging assays. Enzyme inhibitory activities against acetylcholinesterase (AChE), butrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase were evaluated using spectrophotometric methods. Antibacterial and antifungal activities were tested using the broth microdilution method against selected pathogenic microorganisms. The selected enzymes and proteins were evaluated using in silico methods with biomolecules from these plants. In addition, 111 different metabolites were identified in the tested extracts using advanced HPLC/MS techniques. The most significant number of detected compounds were derivatives of hydroxycinnamic acids, followed by flavonoid glycosides and aglycones and derivatives of hydroxybenzoic acids. All three Ocimum species exhibited significant antioxidant activities, O. gratissimum exhibited the best-reducing abilities in CUPRAC and FRAP assays. In addition, enzyme inhibitory assays revealed that O. americanum had the most potent inhibitory effect on tyrosinase (48.01 ± 3.89 mg kojic acid equivalent [KAE]/g), and amylase (1.08 ± 0.02 mmol acarbose equivalent [ACAE]/g). Antibacterial and antifungal tests demonstrated that the extracts possess broad-spectrum activity. Molecular docking results showed that compounds exhibited remarkable binding energies with target enzymes and proteins. The molecular dynamics simulations identified chicoric acid with MurE of Staphylococcus aureus complex as the most promising drug candidate. These findings support their traditional medical and nutraceutical uses and suggest possibilities for natural functional applications.

Nutritional Value, Phytochemical Properties of Different Parts of Dill (Anethum graveolens L.) and Their Effects on in vitro Digestibility in Ruminants

Introduction: At the interface between man, animal and environment, the use of phytobiotics in agroecology practices has been developed as one of the most effective nutritional strategies for animal performance, health, and well-being. This study aimed to determine the effect of extracts from different parts (leaves, flowers and fruits) of a medicinal and food plant, dill ( Anethum graveolens L.) on in vitro digestibility in small ruminants. Methods: Chemical and parietal composition and antioxidant activity were determined, and nutritional and energy values were predicted. Substrate fermentation was studied using in vitro gas production techniques in sheep and goat intestines. Results: Flowers were rich in secondary metabolites, while fruits were rich in fiber and showed the best antioxidant activity against DPPH (IC50 = 41.71 μg/ml). The studied dill plant parts were digestible and nutritious, mainly fruits, with lower gas production rates compared to leaves and flowers in sheep and goats. The methane gas produced by fermentation was not significant in the leaves of either species. Conclusion: In summary, A. graveolens fruits can be considered a natural source of antioxidants that improve animal nutrition and health. Moreover, A. graveolens leaves can play an ecological role in the environment.

Direct Catalytic Asymmetric Conjugate Addition of Benzofuran‐3(2H)‐ones to α,β‐Unsaturated Thioamides: Stereodivergent Synthesis of Rocaglaol

Rocaglaol, a representative flavagline, has attracted significant attention because of its unique chemical structure and biological activities. This paper reports a mild and scalable copper‐catalyzed enantioselective conjugate addition of benzofuran‐3(2H)‐one to α,β‐unsaturated thioamides. This method allows for the concise synthesis of all possible stereoisomers of a key intermediate of rocaglaol and its derivatives in a highly diastereo‐ and enantioselective manner using different chiral phosphine ligands. Theoretical insights into the reaction mechanism and the origin of ligand‐dependent diastereodivergence were obtained using density functional theory calculations.

A comparative UPLC-orbitrap-MS-based metabolite profiling of three Pelargonium species cultivated in Egypt

Several Pelargonium species are cultivated mainly to produce essential oils used in perfume industry and for ornamental purposes. Although the chemical composition and biological activities of their essential oils were extensively investigated, there is limited information about the chemical composition of their non-volatile constituents. In this study, we report an Ultra-Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)-based metabolomics approach for the annotation and analysis of various metabolites in three species; P. graveolens, P. denticulatum, and P. fragrans utilizing The Global Natural Product Social Molecular Networking (GNPS) and multivariate data analyses for clustering of the metabolites. A total of 154 metabolites belonging to different classes were annotated. The three species are good sources of coumarins, benzoic acid derivatives, organic acids, fatty acids, and phospholipids. However, the highest level of flavonols (mono- and di-O-glycosides) and cinnamic acid derivatives was found in P. graveolens and P. denticulatum, whereas tannins and flavone C-glycosides were abundant in P. fragrans. The metabolic profiles clarified here provide comprehensive information on the non-volatile constituents of the three Pelargonium species and can be employed for their authentication and possible therapeutic applications.

The Chemical Structure, Extraction Method, and Biological Activity of Lignin–Carbohydrate Complexes

The Chemical Structure, Extraction Method, and Biological Activity of Lignin–Carbohydrate Complexes

Potential Molecular Mechanisms of Danggui-Shaoyao-San in the Treatment of Melasma Based on Network Pharmacology with Molecular Docking

Although Danggui-Shaoyao-San (DSS) is frequently used in China to treat melasma, its underlying mechanism still needs to be better understood. Our aim is to determine the mechanism behind DSS in treating melasma through network pharmacology (NP). The DSS active compounds alongside corresponding target genes are identified by accessing the TCMSP database and SwissTargetPrediction. Melasma-associated targets are retrieved from the GeneCards, DisGeNet, Durgbanks, OMIM, and TTD databases. Next, we build a component-target association network via Cytoscape software while generating a protein-protein interaction network utilizing the STRING database. Subsequently, both core target genes and active compounds are determined. Through the DAVID database and Bioinformatics tools, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses are conducted. Lastly, the CB-Dock2 server is deployed to conduct molecular docking (MOD). The results manifest that alisol B, cerevisterol, and Wallichilide, among others, are active compounds in DSS, while PTGS2, ESR1, and ESR2 are core target genes. Both GO and KEGG analyses showcase that the potential core drug components modulate pathways in cancer, chemical carcinogenesis-receptor activation, calcium, relaxin, and estrogen signaling by exerting their effects on biological processes. These processes include negative gene expression regulation as well as positive regulation of both cytosolic calcium ion concentration and transcription from the RNA polymerase II promoter, thereby playing an anti-melasma pharmacological role. The MOD displays that core target genes have good binding activity with the active compounds. To conclude, NP demonstrates that DSS can serve as an innovative medication for treating melasma.

Direct Catalytic Asymmetric Conjugate Addition of Benzofuran-3(2H)-ones to α,β-Unsaturated Thioamides:Stereodivergent Synthesis of Rocaglaol.

Rocaglaol, a representative flavagline, has attracted significant attention because of its unique chemical structure and biological activities. This paper reports a mild and scalable copper-catalyzed enantioselective conjugate addition of benzofuran-3(2H)-one to α,β-unsaturated thioamides. This method allows for the concise synthesis of all possible stereoisomers of a key intermediate of rocaglaol and its derivatives in a highly diastereo- and enantioselective manner using different chiral phosphine ligands. Theoretical insights into the reaction mechanism and the origin of ligand-dependent diastereodivergence were obtained using density functional theory calculations.

Phytochemical Profiling and Bioactive Properties of Essential Oils from Endemic Palestinian Satureja thymbrifolia.

Despite several studies on the Satureja L. genus, the chemical composition and biological activities of the traditional medicinal plant Satureja thymbrifolia (White Thyme), a Palestinian endemic species, are still unknown. It grows in arid regions and is used by Bedouins as a traditional medicinal herb. This study aimed to investigate S. thymbrifolia essential oils (EOs), mainly from its phytochemical pattern and biological properties. The GC-MS study identified p-cymene (48.53%) and thymol (23.27%) as the leading EOs components. Compared to Trolox, the EOs showed potential anti-DPPH free radical activity and had broad-spectrum antimicrobial potentials, with MIC values ranging from 0.13 ± 0.05 to 25 ± 0.00 µL/mL. They were most effective against Candida albicans species. The S. thymbrifolia EOs most effectively eliminated cancer cells when tested against CaCo-2 and HeLa cell lines (IC50 values of 192.15 ± 2.47 and 194.80 ± 1.87 µg/mL, respectively). The present investigation is the first documented study of S. thymbrifolia EOs' phytochemical composition and bioactivities. The results revealed that S. thymbrifolia EOs have potential antioxidant, antimicrobial, and cytotoxic effects. These outcomes emphasized S. thymbrifolia EO's potential dietary, pharmacological, and cosmetic applications.

First principles insights into the electronic and magnetic properties of [formula omitted] doped with VIII-group transition metal single atom

Inspired by the unprecedented surface chemical reaction activity of single-atom catalysts (SAC), this research presents a theoretical study on the doping of SnO2(110) surface with transition metal group VIII atoms (Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt). Using density functional theory (DFT), the formation energy, electronic structure, charge transfer, and magnetic moments of the SnO2(110) system before and after doping were investigated. The formation energies of the different doped systems vary depending on the doping position. The doping of transition metal (TM) atoms can induce produces both charge transfer and magnetic moment. The charge transfer is largest in the Pd-doped system, with + 0.68 e at the position of the penta-coordinated Sn atom (Sn5c position) and + 0.67 e at the position of the hexa-coordinated Sn atom (Sn6c position), while the Co-doped system exhibits the smallest charge transfer of + 0.19 e (Sn6c position). Fe, Co, Ni, Ru and Os atoms introduce magnetic moments, with the Fe-doped system (Sn5c position) having the highest magnetic moments of 2.91 μB. In the SnO2(110) surface system doped with TM atoms, there are varying degrees of orbital overlap between the TM atoms and their surrounding O atoms. This theoretical work provides valuable insights into the physical properties of metal oxide based single-atom catalysts.

Preparing Ganoderma lucidum slices by improved steam explosion enhances their apparent, functional and structural properties

Ganoderma lucidum slices exhibit antioxidant and enzyme inhibitory activity, enhancing vitality and longevity. However, untreated Ganoderma lucidum slices fail to meet specific physical and chemical requirements for consumption and processing because their bioactive compounds must be released before intake through effective pretreatment. We proposed developing a novel preparation method for Ganoderma lucidum slices through improved steam explosion (ISE). The effect of ISE (at 0.4–1.2 MPa for 5 min) on their chemical compounds, apparent properties, biological activity, sensory quality and structural characteristics was assessed. The results showed that ISE (0.8–1.2 MPa) increased the content of flavonoids (by 32.29 %–126.57 %), phenolics (by 31.79 %–96.28 %), triterpenes (by 1.74–5.24 times) and polysaccharides (by 6.27–18.03 times) in Ganoderma lucidum slices. Additionally, ISE improved the color saturation and hue of their infusions while reducing the color values of these slices. Under all conditions, ISE significantly increased the soluble solids content (by 1.31–11.44 times) and the inhibitory activity of tyrosinase and xanthine oxidase when compared to infusions of untreated slices. At 0.8–1.2 MPa, the radical scavenging activity of 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) was also significantly higher in steam-exploded slices than in untreated slices. In the sensory evaluation, steam-exploded slices outperformed untreated slices in terms of color, taste, form attributes, and overall score. ISE disrupted the microstructure of Ganoderma lucidum slices, whose microscopic structure was broken into fragments, thereby promoting the dissolution of bioactive compounds and enhancing their biological functions, as shown in this study. Therefore, ISE improved the nutritional and medicinal effects of the fruiting body of Ganoderma lucidum by facilitating nutritional retention and resource utilization efficiency.

A Comprehensive Strategy for Metabolites Profiling of Flowers and Leaves from Camellia tienii, an Endemic Golden Tea of Vietnam.

Golden camellia is defined as a species of the Camellia genus with yellow flowers, which have long been used as a medicine, food, and cosmetic in many Asian countries. To date, more than 50 golden camellia species are considered endemic in Vietnam; however, more information is needed about its chemical constituents and biological activity. This work aims to unveil the potential of Camellia tienii Ninh, a golden camellia species, as an herbal beverage by examining the presence and abundance of chemical components in flowers and leaves. A comprehensive strategy has been developed using both liquid and gas chromatography coupled with mass spectrometry. Specifically, LC-MS-based widely targeted analyses were opted to characterize 158 polar metabolites belonging mainly to flavonoids, catechins, and amino acids classes, and an untargeted approach using GC-MS annotated 42 major volatile compounds such as terpenes and fatty acids. The extensive profile revealed by these techniques could help understand the significant discrimination between two organs. C. tienii flowers accumulated more flavonoids, amino acids, and fatty acids, while leaves contain more terpenes, suggesting different pharmacological properties of these materials. Overall, this pipeline can be applied for other Camellia species and valorization of these valuable resources for health benefits purposes.