Chemical Composition Identification Research Articles

Phytochemical profile and allelopathic activity of eight Eucalyptus species on the performance of initial growth stage of four local species in the southern Tunisia

We aimed thought this survey 1) to investigate and compare the phytotoxicity features of eight Eucalyptus species frequently planted in southern Tunisia (Eucalyptus camaldulensis Dehn., Eucalyptus gomphocephala DC., Eucalyptus torquata Luehm., Eucalyptus microtheca F.Muell., Eucalyptus occidentalis Endl., Eucalyptus diversifolia Bonpl., Eucalyptus sargentii Maiden., and Eucalyptus torwood) on seed germination and radicle growth of Medicago sativa L., Corchorus olitorius L., Cenchrus ciliaris L., Peganum harmala L., and 2) to classify those species according to their allelopathic efficiency. The laboratory experiment was conducted using aqueous extracts made from dried and ground plant leaves to obtain concentrations of 5 % and 10 %. These were prepared alongside control treatments for comparison. Afterward, methanol extracts were utilized in the chemical composition identification procedure via HPLC-DAD-ESI-MS. Different responses were obtained for the species studied for germination and extraction. Results highlighted that C. ciliaris and P. harmala were the most susceptible to eucalypt extracts, while, M. sativa and C. olitorius were more resistant. Statistically, lower concentrations were less effective, but higher ones had noticeable inhibitory effects on seedling growth parameters. We assumed that E. occidentalis, E. gomphocephala, E. torquata and E. camaldulensis were recognized as the most noxious species, E. sargentii and E. microtheca produced moderate effects, while E. torwood and E. diversifolia were regarded as benign species. Phytochemicals especially ellagitannins and flavonols derivatives were the major compounds identified accounted for 21–78 % and 8–59 %, but hydroxycinnamic acids derivatives, gallic acid derivatives, total flavonols content and non-phenolic acids were acknowledged as the major causes for the observed outcomes.

Flavonoid-rich sesame leaf extract-mediated synthesis of nanozymes: Extraction optimization, chemical composition identification and bioactivity evaluation

Sesame leaves contain rich phenolic acids and flavonoids. However, their potential in nanozyme synthesis has not been investigated yet. Herein, we report the preparation of flavonoid-rich sesame leaf extract (SLE), composition identification, and its use in the construction of iron (Fe)-based nanozymes (Fe-SLE CPNs). SLE was obtained with an extraction yield of ∼14.5% with a total flavonoid content (TFC) of ∼850.85 mg RE/g. There were 83 flavonoid compounds in SLE, primarily including scutellarin, apigenin-7-glucuronid, narcissin, and hyperoside. Fe-SLE CPNs exhibited nanodot morphology with a hydrodynamic size of 79.34 nm and good stability in various physiological solutions, pH levels, and temperatures. The Fe-SLE CPNs were more efficient in the scavenging ability of reactive oxygen species (ROS) than SLE alone. Furthermore, a stronger anti-inflammatory effect of the Fe-SLE CPNs was shown by modulating the MyD88-NF-κB-MAPK signaling pathways. These findings imply that SLE-based nanozymes hold great potential for diverse applications.

Tissue distribution of metabolites in Cordyceps cicadae determinedby DESI-MSI analysis.

In this paper, we establish an in situ visualization analysis method to image the spatial distribution of metabolites in different parts (sclerotium, coremium) and different microregions of Cordyceps cicadae (C. cicadae) to achieve the in situ visual characterization of tissues for a variety of metabolites such as nucleosides, amino acids, polysaccharides, organic acids, fatty acids, and so on. The study included LC-MS chemical composition identification, preparation of C. cicadae tissue sections, DEDI-MSI analysis, DESI combined with Q-TOF/MS to obtain high-resolution imaging of mass-to-charge ratio and space, imaging of C. cicadae in positive-negative ion mode with a spatial resolution of 100μm, and localizing and identifying its chemical compositions based on its precise mass. A total of 62 compounds were identified; nucleosides were mainly distributed in the coremium, L-threonine and DL-isoleucine, and other essential amino acids; peptides were mainly distributed in the sclerotium of C. cicadae; and the rest of the amino acids did not have a clear pattern; sugars and sugar alcohols were mainly distributed in the coremium of C. cicadae; organic acids and fatty acids were distributed in the nucleus of C. cicadae more than in the sclerotium, and the mass spectrometry imaging method is established in the research. The mass spectrometry imaging method established in this study is simple and fast and can visualize and analyse the spatial distribution of metabolites of C. cicadae, which is of great significance in characterizing the metabolic network of C. cicadae, and provides support for the quality evaluation of C. cicadae and the study of the temporal and spatial metabolic network of chemical compounds.

Fast fingerprint scanning and chemical composition identification of a large-scale material surface by a combined HSI-LIBS operation

An experimental solution that combines hyperspectral imaging (HSI) and laser-induced breakdown spectroscopy (LIBS) applied to large-scale material surface chemical analysis is investigated..

Assessment of the Fruit Chemical Characteristics and Antioxidant Activity of Different Mulberry Cultivars (Morus spp.) in Semi-Arid, Sandy Regions of China.

As a traditional cash crop with ecological and nutritional values, mulberry is gradually expanding its consumption worldwide due to its great regional adaptability and superior health functions. The widespread interest in nutrients has led to a growing need to explore in depth the health benefits of mulberries. Many studies are actively being conducted to investigate the adaptability of the diversity of mulberries in different applications. This study systematically investigated the physicochemical properties and antioxidant activity of four mulberry genotypes cultivated in China's semi-arid sandy regions to better understand the composition and health-promoting potential of this super crop. Chemical composition identification was identified via HPLC and antioxidant activity was further determined via DPPH and FRAP. The moisture, crude protein, ash, soluble solids, phenolics, anthocyanins, and flavonoids contents of mulberry were comparatively analyzed. The study revealed that the four mulberry genotypes showed significant differences in quality and content of the analyzed characteristics. The greatest antioxidant activity was found in Shensang 1, which had the most soluble solids (17%) and the highest amounts of free sugar (fructose: 5.14% and glucose: 5.46%). Ji'an had the most minerals (K: 2.35 mg/g, Ca: 2.27 mg/g, and Fe: 467.32 mg/kg) and it also contained chlorogenic acid, which has the potential to be turned into a natural hypoglycemic agent. PCA and Pearson correlation analysis indicated that the antioxidant activity was closely related to the chemical contents of total phenols, flavonoids, anthocyanins, and soluble sugars. If the antioxidant activity and nutrient content of the developed plants are considered, Shen Sang 1 is the most favorable variety. This finding can be used to support the widespread cultivation of mulberries to prevent desertification as well as to promote the development of the mulberry industry.

Quality Evaluation of Volatile Oil in Yanyangke Mixture (YM) Based on GC-MS Fingerprint, GC Multicomponent Quantitative Analysis and Chemical Pattern Recognition Analysis.

Yanyangke mixture (YM) is composed of 12 kinds of traditional Chinese medicine (TCM) used for the treatment of patients with cough, dry throat and other diseases caused by acute or chronic pharyngitis or patients with difficulty in expectoration. With the wide application of YM in clinical practice, its quality control has attracted huge attention. Based on the multi-component characteristics of Chinese herbal medicines, it is pertinent to establish a quality evaluation system. A new idea is to adopt gas chromatography-mass spectrometry (GC-MS) chemical composition identification, GC-MS fingerprint, and GC content determination as a potential quality control index of the volatile oil in YM. In this study, the volatile oil of YM was extracted by steam distillation, and the chemical components of the volatile oil were analyzed by GC-MS, and 43 chemical components were identified. The fingerprint of the volatile oil from YM was established and the similarity evaluation was performed. Combined with chemometric methods, such as cluster analysis, principal component analysis and partial least squares analysis, the chemical composition differences of the volatile oil from different batches of YM were compared and the symbolic components affecting the quality of the volatile oil from different batches of YM were excavated. Finally, three components were selected as the potential active component markers of YM and the GC content determination method of these three components was established. A rapid, reasonable, and effective quality evaluation and control method of YM volatile oil was established, which provided a reference for further development and research on YM, as well as a new idea for research on other TCM prescriptions.

Chemical constituents and hepatoprotective properties of Rhododendron simsii Planch extract in Con A-induced autoimmune hepatitis

Rhododendron simsii Planch, a folk medicine recorded in the ‘Dictionary of Chinese Materia Medica’, has been used by many ethnic regions of China to treat various inflammatory and immune-related diseases such as skin disorders and rheumatoid arthritis. However, its protective effect against autoimmune hepatitis and the underlying mechanisms remain unclear. The present study aimed to aimed to investigate the protective effects on autoimmune hepatitis through an integrated approach established by combining chemical composition identification, network pharmacology and in vivo experimental validation. Animal experiments showed that R. simsii Planch extract ameliorated ConA-induced liver injury, as evidenced by a reduction in ALT and AST levels and varying degrees of improvement in liver histopathology, with the R-EE (R. simsii Planch EtOAc extract) treated group showing the most obvious therapeutic effect. Then, chemical investigations into R-EE yielded 15 flavonoid and phenolic acid derivatives namely quercetin 3-O-α-L-rhamnoside (1), tamarixetin 3-rhamnoside (2), isoquercitrin (3), hyperoside (4), myricetin-3-O-α-L-rhamnopyranoside (5), afzelin (6), quercetin-3-O-α-L-arabinofuranoside (7), quercetin-3-O-α-D-arabinopyranoside (8), (+)-catechin (9), kaempferol (10), dihydromyricetin (11), quercetin (12), vanillic acid (13), gallic acid (14) and farrerol (15). Further network pharmacological analysis indicated that the potential mechanism against ConA-induced liver injury is probably related to the regulation of the NF-κB signaling pathway. Experiments confirmed that R-EE could reduce liver damage and downregulate CD4+ and inflammatory cytokine levels and the expressions of NLPR3, COX-2 and p-IκBα, and exhibited considerable hepatoprotective effects in ConA-induced AIH mice, which may be related to its flavonoids, and the underlying mechanism may involve the regulation of the NF-κB signaling pathway. The present results indicated that R. simsii Planch extract has more therapeutic potential in the treatment of autoimmune hepatitis, and provide the experimental basis for traditional application of R simsii Planch in the treatment of inflammatory diseases, and is a potential treatment agent for AIH that deserves further study.

Extraction of hops pelletized (Humulus lupulus) with subcritical CO2 and hydrodistillation: Chemical composition identification, kinetic model, and evaluation of antioxidant and antimicrobial activity

Hop essential oil and hop extract using carbon dioxide (CO2) are products with high added value because they have bioactive and sensory properties. In this context, the objective of this study was to obtain and characterize essential oil and extracts from pelleted hops of El Dorado, Polaris, Hallertau Blanc and Callista varieties using hydrodistillation and subcritical CO2 extraction methods. Extraction yield ranged from 0.38 % to 1.97 % (m/m) for essential oils and from 8.76 % to 15.35 % (m/m) for extracts using subcritical CO2. The chemical compositions of the essential oils were mainly monoterpene (18.14 % to 29.91 %) and sesquiterpene (46.01 % to 59.03 %) hydrocarbons and for the extracts were sesquiterpene hydrocarbons (33.05 % to 71.90 %) and oxygenated sesquiterpenes (14.80 % to 34.89 %). The extracts showed better antioxidant activity than essential oils due to the presence of phenolic compounds and flavonoids. Hop extracts showed some antimicrobial activity, but essential oils did not demonstrate antimicrobial potential. Hop extracts obtained with subCO2 have the potential to be used in the brewing industry as a flavoring and as natural antioxidants.

Multi-omics technology for demystifying herbal medicine

Herbal medicine (HM) is a fruitful source of chemical substances that has contributed greatly to the pharmaceutical industry and novel therapeutics. Natural products derived from HM continue to be a rich source of lead compounds because of their high structural diversity and potent bioactivities. However, despite the success of active ingredients derived from HM in drug discovery, compatibility issues that make huge challenging for extended timelines of effective evaluation, chemical composition identification, active ingredient screening and target confirmation. However, some approaches solely cannot effectively elucidate the overall effect and action mechanism due to complexity muti-components of HM. Thus, integration strategies combining modern analytical techniques with HM are increasingly being developed in the era of big data and omics. The updated mass spectrometry has been used to identify natural product structure and their mode of action on biological processes. Their molecular properties are validated through the use of recent high-throughput multi-omics including transcriptomic, proteomic and metabolomic tools and bio-informatics, molecular docking, network pharmacology techniques that enable to accelerate natural product discovery. We summarized several important omics technical platforms and multi-omics-based integration approach as powerful strategies to demystify HM and discover new bioactive molecules.

Hypoglycemic activity of Codonopsis pilosula (Franch.) Nannf. in vitro and in vivo and its chemical composition identification by UPLC-Triple-TOF-MS/MS.

Codonopsis pilosula (Franch.) Nannf. (CPN), mainly planted in the northwest region, is a traditional Chinese medicine/good health food for nourishing qi and promoting blood circulation. This study firstly evaluated the inhibitory effects of the CPN extraction (CPNE) on α-glucosidase in vitro and in vivo, and tentatively confirmed its chemical ingredients by employing UHPLC-Triple-TOF-MS/MS. The CPNE had strong inhibitory activities against mammalian α-glucosidase (sucrase and maltase) and yeast α-glycosidase with semi-inhibitory concentrations (IC50) of 0.241 mg mL-1, 0.326 mg mL-1 and 1.167 mg mL-1, respectively. In addition, the CPNE could significantly decrease the postprandial blood glucose (PBG) levels in the sucrose/maltose/starch tolerance assays of diabetic mice. Furthermore, a total of 29 compounds, including 3 alkaloids, 13 phenolic acids, 8 alcohol glycosides and 5 alkynosides, were assigned based on comparison with the standards and references, as well as the analysis of main fragments. These results demonstrated that CPN could be used as an adjuvant therapy or dietary supplements to effectively control the occurrence and development of diabetes.

Domestic and international research progress of edible and medicinal Arecae Semen

Arecae Semen, as the first place among "Four South Medicines" in China, has great dual-use value of medicine and food. The research of Arecae Semen was mainly focused on the active ingredients and efficacy value, and its potential safety hazards were also concerned. Until now, there is still a lack of clear boundaries between medicine and food, resulting in its safety cannot be guaranteed. Therefore, it is of great significance to establish clear boundaries of medicine and food use and health risk assessment. In this paper, the differences of pretreatment and application methods of Arecae Semen were analyzed, and the research progress of Arecae Semen in chemical composition identification and toxicology research and safety evaluation were reviewed emphatically. Finally, the differences of quality control and safety evaluation of Arecae Semen in pharmacopoeias or standards were analyzed at home and abroad. It was expected to provide reference value for quality control, safety evaluation and international standardization research of Arecae Semen.

Extraction, Radical Scavenging Activities, and Chemical Composition Identification of Flavonoids from Sunflower (Helianthus annuus L.) Receptacles.

This study was focused on extraction, radical scavenging activities, and chemical composition identification of total flavonoids in sunflower (Helianthus annuus L.) receptacles (TFSR). We investigated the optimal extract parameters of TFSR using response surface methodology. The highest yield of TFSR was 1.04% with the ethanol concentration 58%, the material-to-liquid ratio 1:20 (v/w), the extraction time 2.6 h, and the extraction temperature 67 °C. The results of radical scavenging activities showed that ethyl acetate fraction (EAF) was the strongest by using 2-diphenyl-1-picrylhydrazyl (DPPH), 2, 2’-azino-bis (3-ethylbenzo thiazoline-6-sulfonic acid) (ABTS) and iron ion reducing analysis. The EAF had the highest flavonoids contents. Four fractions A, B, C and D were enrichment from EAF by polyamide resin. Fraction B had the highest flavonoids content. Thirteen chemical components of flavonoids in fraction B were first identified by Ultimate 3000 Nano LC System coupled to a Q Exactive HF benchtop Orbitrap mass spectrometer (UHPLC-HRMS/MS). Among of the thirteen chemical components, isoquercetin and daidzein were identified accurately by comparing with standard samples. Radical scavenging analysis showed that isoquercetin and EAF had strong activities. Therefore, sunflower receptacles can be used as a source of natural flavonoids. TFSR as a natural radical scavenger has potential applications in pharmaceutical industry.

Synthesis and Characterization of SmBa2Cu3Oy Powder Prepared by Solid-State Reaction

In this work, the SmBa2Cu3Oy (Sm-123) powder was successfully prepared by solid-state reaction method under a normal air atmosphere using a stoichiometric ratio (i.e., Sm:Ba:Cu = 1:2:3) of high-purity Sm2O3, BaCO3 and CuO starting powders. Thermal properties of the as-calcined powder were studied by DSC/TGA technique and the results showed a formation of Sm-123 phase at 900 °C. The as-calcined powder was prepared by heating the starting precursors at 900 °C for 6–30 h. Phase identification was determined using an X-ray diffractometer (XRD). The quantitative phase analysis was analyzed by fitting the XRD pattern using the GSAS-II program. The result of XRD showed that the SmBa2 Cu3Oy (Sm-123) was identified as the main crystalline phase. The morphology was observed by scanning electron microscopy (SEM) with chemical composition identification from EDS mode. The surface of Sm-123 powder exhibited large agglomerates with a size range of ∼4.44–6.75 m. The Raman spectra showed a vibrational Raman-active phonon mode lying at around ∼502–508 cm–1. The peaks originated from the apical oxygen O(4) (i.e., O(4)-Ag mode) along the c-axis could be correlated with the oxygen deficiency in the CuO2 planes of orthorhombic SmBa2Cu3Oy. The calculated oxygen content from these peaks tended to decrease with increasing calcination time. All of these frequencies confirmed the presence of phonon and bonding typical for the 123-type structure.

GC-MS Analysis and Chemical Composition identification of Cyperus rotundus L. from Iraq

Qualitative and quantitative analysis of phytochemical screening and possible chemical components of rhizomes C. rotundus was conducted by GC-MS. The rhizomes showed the presence of alkaloids, phenols, flavonoids, Terpenes. Purified secondary metabolites compound, alkaloids, and phenols were extracted from Cyperus rotundus L. rhizomes. GC-MS analysis of methanol extract showed ten compounds belong to alkaloids extract during retention time 24 min and twenty-five compounds belong to phenol extract during retention time 25 minute were identified.

Embedding anti-counterfeiting features in metallic components via multiple material additive manufacturing

The aerospace, automotive and medical industries are suffering from significant number of counterfeited metallic products that not only have caused financial losses but also endanger lives. The rapid development of additive manufacturing technologies makes such a situation even worse. In this investigation, we successfully applied a novel hybrid powder delivery selective laser melting (SLM) approach to embed dissimilar tagging material (Cu10Sn copper alloy) safety features (e.g. QR code) into metallic components made of 316 L stainless steel. X-ray imaging was found to be a suitable method for the identification of the embedded safety features up to 15 mm in depth. X-ray fluorescence was used for the chemical composition identification of the imbedded security tagging material. A criterion for the selection of tagging material, its dimensions and imbedding depth is proposed. The multiple material SLM technology was shown to offer the potential to be integrated into metallic component production for embedding anti-counterfeiting features.

Secretory structures in Aldama species (Heliantheae–Asteraceae): morphology, histochemistry and composition of essential oils

Aldama representatives are particularly noteworthy for producing essential oils, and the chemical composition identification of these oils can help in the search for possible bioactive compounds, and provide useful information for taxonomic studies. A correct description of the occurrence and positioning of the secretory structures related to the production of these metabolites in the plant body could provide a basis for future studies on biological and pharmacological activity, indicating which organ merits further investigation. The four Aldama species investigated here were chosen due to their aromatic and resiniferous potential and because they are morphologically very similar. They were investigated phytochemically and their secretory structures were identified. Four types of secretory structures were found for the species herein: hydathodes, glandular trichomes, canals and cavities. Except for the hydathodes, all of them are responsible for the essential oil production. The highest yields of essential oils were obtained the underground organs. Seventy-nine compounds were identified for the four Aldama species, whereas 13 compounds occurred in the essential oils from all species and some of them were unique to a given species. The chemical composition of the four species, described herein for the first time, can be used for identification purposes and, also reveals several compounds of proven biological activity, confirming the potential usefulness of Aldama species.

Volatile compounds analysis and antioxidant, antimicrobial and cytotoxic activities of Mindium laevigatum.

Objective(s):Mindium laevigatum is an endemic plant of Iran and Turkey and is widely used as blood purifier, antiasthma and antidyspnea in traditional medicine. Chemical composition of volatile materials of the plant and its antioxidant, antimicrobial and cytotoxic activities were reported in this study.Materials and Methods:Simultaneous distillation-extraction (SDE) and GC-Mass-FID analysis were used for the plant volatile materials chemical composition identification and quantification. Several antioxidant tests including DPPH radical scavenging, hydrogen peroxide scavenging, reducing power determination, β-carotene-linoleic acid and total phenolic content tests were used for antioxidant activity evaluation. Antimicrobial and anticancer activities were also estimated using microbial strains, cancer cell lines and brine shrimp larva.Result:s: GC-Mass-FID analysis of volatile samples showed a total of 74 compounds of which palmitic acid (7.4-33.7%), linoleic acid (6.6-18.6%), heneicosane (1.3-9.6%) and myristic acid (1.4-6.0%) were detected as main volatile components. Moderate to good results were recorded for the plant in β-carotene-linoleic acid test. Total phenolic content of the extracts as gallic acid equivalents were estimated in the range of 15.7 to 79.6 μg/mg. Some microbial strains showed moderate sensitivities to plant extracts. Brine shrimp lethality test and cytotoxic cancer cell line assays showed mild cytotoxic activities for the plant.Conclusion:Moderate to good antioxidant activities in β-carotene-linoleic acid test and presence of considerable amounts of unsaturated hydrocarbons may explain the plant traditional use in asthma and dyspnea. These findings also candidate it as a good choice for investigating its possible modern medical applications.

Detecting trypsin at liquid crystal/aqueous interface by using surface-immobilized bovine serum albumin

We report a new mechanism for liquid crystal (LC)-based sensor system for trypsin detection. In this system, bovine serum albumin (BSA) was immobilized on gold grids as the enzymatic substrate. When the BSA-modified grid was filled with LC and immersed in the solution containing trypsin, the peptide bonds of BSA were hydrolyzed and peptide fragments were desorbed from the surface of gold grid, which disrupted the orientation of LC at the vicinity and resulted in a dark-to-bright transition of optical image of LCs. By using this mechanism, the limit of detection (LOD) of trypsin is 10ng/mL, and it does not respond to thrombin and pepsin. Besides, the cleavage behavior on gold surfaces was directly visualized by the scanning photoelectron microscopy (SPEM), in particular for the chemical composition identification and element-resolved image. The loss of BSA fragments and the enhancement of Au photoelectron signal after trypsin cleavage were corresponding to the proposed mechanism of the LC-based sensor system. Because the signals reported by LC can be simply interpreted through the human naked-eye, it provides a simple method for fast-screening trypsin activity in aqueous solution.

Chemical Composition Identification and Comparison Antibacterial Activity of Some Essential Oils against Three Pathogenic Bacteria

Chemical Composition Identification and Comparison Antibacterial Activity of Some Essential Oils against Three Pathogenic Bacteria

X-RAY PHOTOEMISSION ELECTRON MICROSCOPE DETERMINATION OF ORIGINS OF ROOM TEMPERATURE FERROMAGNETISM AND PHOTOLUMINESCENCE IN HIGHCo-CONTENTCoxZn1-xOFILMS

In this paper, we reported on the X-ray photoemission electron microscope (XPEEM) determination of magnetic and luminescence origins for two CoxZn1-xO films. The cobalt fraction x of radio frequency co-sputtered samples were 0.86(2) and 0.92(2), respectively. Films were ferromagnetic and semiconductive. Unique narrow green color lines beside the ZnO intrinsic emissions were found with a decay time in microsecond range at room temperature. Origins of magnetic and luminescence properties were determined with XPEEM. The X-ray absorption near edge structure at the Co L3-edge denoted that Co was partially oxidized, and phase-contrast images together with chemical composition identification further proved that Co and CoO co-existed in the samples. The ferromagnetism was attributed to ferromagnetism of Co clusters partially canceled by the antiferromagnetism of its oxide, and the photoluminescence to bound exciton in ZnO nanoclusters and defect related centers of ZnO nanoclusters in a Co -rich matrix. Present results show possibilities for adjusting magnetic and luminescence properties of Co – ZnO compounds by changing the cobalt concentration.