ABSTRACT
The main components of the essential oil (EO) of Schihus molle L were characterized by Gas Chromatography with Mass Spectrometry (GC-MS). The following components found were: α-pinene (22%), limonene (19%), caryophyllene (11%), ß-pinene (8%), γ-gurjunene (6%), 7-Tetracyclo [6.2.1.0(3.8)0(3.9)] undecanol, 4,4,11,11-tetramethyl (5%), ß-cadinene (4.11%), ledene oxide (4%), isoledene and ß -elemene (3%), and finally δ-cadinene with 2% and others. They are terpene-type compounds in different concentrations. Their potential use in medicine stands out for being anti-inflammatory, anxiolytic, antidepressant, memory loss recovery, kidney and liver problem preventions, antioxidant, immunoprotective and it is also used as anticancer, antimetastatic, among other uses. It also has a potential use as an antifungal, antimicrobial and insecticidal effect. They made it suitable for medical therapies as well as controlling of pests and microorganisms and other applications.
Los principales componentes del aceite esencial (AE) de Schihus molle L fueron caracterizados mediante Cromatografía de Gases con Espectrometría de Masas (GC-MS). Los siguientes componentes encontrados fueron: α-pineno (22%), limoneno (19%), cariofileno (11%), ß-pineno (8%), γ-gurjuneno (6%), 7-tetraciclo [6.2.1.0(3.8)0(3.9)] undecanol, 4,4,11,11-tetrametilo (5%), ß-cadineno (4,11%), óxido de ledeno (4%), isoledeno y ß-elemeno (3%), y finalmente δ-cadineno con 2% y otros. Son compuestos de tipo terpeno en diferentes concentraciones. Su potencial uso en medicina destaca por ser antiinflamatorio, ansiolítico, antidepresivo, recuperador de la pérdida de memoria, preventivo de problemas renales y hepáticos, antioxidante, inmunoprotector y también se utiliza como anticancerígeno, antimetastásico, entre otros usos. También tiene un uso potencial como efecto antifúngico, antimicrobiano e insecticida. Lo hicieron adecuado para terapias médicas, así como para el control de plagas y microorganismos y otras aplicaciones.
Subject(s)
Plants, Medicinal/chemistry , Oils, Volatile/pharmacology , Oils, Volatile/chemistry , Argentina , Gas Chromatography-Mass Spectrometry/methodsABSTRACT
The chemical constituents and antimic robial activity of the essential oil isolated from the rhizomes of Alpinia menghaiensis S.Q. Tong & Y.M. Xia in S.Q. Tong from Vietnam was studied and reported. The techniques of gas chromatography (GC) and gas chromatography coupled with mass spectrometry (GC/MS) were used to characterize the chemical constituents of the essential oil while the microdilution assay was used to evaluate the antimicrobial activity. The main compounds identified in the rhizome essential oil consist of ß - pinene (46.5%), ß - phellandrene (25.7%) and α - pinene (8.5%). The studied essential oil inhibited the growth of Pseudomonas aeruginosa ATCC27853 with minimum inhibitory concentrations (MIC) value of 15.32 µg/mL ± 0. 01, and median inhibitory concentration (IC50) value of 32.0 ± 0.01 µg/mL. The essential oil also displayed activity against Staphylococcus aureus ATCC25923 (MIC 31.57 ± 0.01 µg/mL) and Bacillus cereus ATCC14579 (MIC, 34.21 µg/mL ± 0.01 µg/mL), and IC 50 va lue of 64.0 ± 0.01 µg/mL. This is the first report on the rhizome oil composition, as well as the antimicrobial of essential oils from A. menghaiensis . The paper discusses further the comparative analysis of essential oils from A. menghaiensis .
Se investigaron los componentes químicos y la actividad antimicrobiana del aceite escencial aislado de los rizomas de Alpinia menghaiensis S.Q. Ton g & Y. M. Xia en S.Q. Tong de Vietnam. Se usaron las técnicas de cromatografía de gases (GC) y cromatografía de gases con espectrometría de masas (GC/MS) para caracterizar los componentes químicos del aceite escencial, mientras que se utilizó un ensayo de microdilución para evaluar la actividad antimicrobial. Se identificaron los componentes principales en el aceite escencial del rizoma, compuesto de ß - pineno (46.5%), ß - fellandreno (25.7%) y α - pineno (8.5%). El aceite escencial estudiado inhibió el crecimie nto de Pseudomonas aeruginosa ATCC27853 con concentraciones de actividad mínima inhibitoria (MIC) de 15.32 µg/mL ± 0.01, y una m ediana de concentración inhibitoria (IC 50 ) de 32.0 ± 0.01 µg/mL. El aceite escencial también mostró actividad contra Staphylococ cus aureus ATCC25923 (MIC 31.57 ± 0.01 µg/mL) y Bacillus cereus ATCC14579 (MIC, 34.21 µg/mL ± 0.01 µg/mL), y valor IC 50 de 64.0 ± 0.01 µg/mL. Este es el primer reporte sobre la composición del aceite de rizoma, así como de las propiedades antimicrobianas d e los aceites escenciales de A. menghaiensis . El artículo discute el análisis comparativo de los aceites escenciales de A. menghaiensis .
Subject(s)
Oils, Volatile/chemistry , Alpinia/chemistry , Anti-Bacterial Agents/chemistry , Sesquiterpenes/analysis , Vietnam , Oils, Volatile/pharmacology , Microbial Sensitivity Tests , Monoterpenes/analysis , Gram-Negative Bacteria/drug effects , Gram-Positive Bacteria/drug effects , Gas Chromatography-Mass Spectrometry , Anti-Bacterial Agents/pharmacologyABSTRACT
The essential oils of Lippia citriodora (Ort.) and Lippia origanoides (Kunth) have shown antimicrobial activity associated with mastitis. The objective of this study was to evaluate its ecotoxic effect with the Artemia salina bioassay and the prevention of mastitis through an in vivo test in cattle (n=20) with a product based on these oils using a conventional product as a control. Contact hypersensitivity, the effect on somatic cells, and residuality in mil k samples were evaluated. The results of the Artemia salina bioassay were 10.05 and 19.36 (µg/mL) respectively. No negative effects or contact hypersensitivity were observed, and no residual metabolites were found in post - test milk. The somatic cell count showed 75% effectiveness in the prevention of mastitis with essential oils compared to 62.5% with the conventional product. The evaluated formulation could be used in the prevention of bovine mastitis safely, further investigation is required.
Los aceites esenciales de Lippia citriodora (Ort.) y Lippia origanoides (Kunth), han mostrado acti vidad antimicrobiana asociada a la mastitis. El objetivo de este estudio fue evaluar su efecto ecotóxico con el bioensayo Artemia salina y la prevención de mastitis mediante un ensayo in vivo en bovinos (n=20) con un producto a base de estos aceites utiliz ando como control un producto convencional. Se evaluó la hipersensibilidad de contacto, efecto en células somáticas y residualidad en muestra de leche. Los resultados del bioensayo de Artemia salina fueron 10,05 y 19,36 (µg/mL) respectivamente. No se obser varon efectos negativos, ni hipersensibilidad de contacto, y no se encontraron metabolitos residuales en leche posterior al ensayo. El conteo de células somáticas mostró efectividad en la prevención de mastitis del 75% con aceites esenciales frente al 62.5 % del producto convencional. La formulación evaluada podría ser utilizada en la prevención de la mastitis bovina de forma segura, se requiere profundizar en la investigación.
Subject(s)
Oils, Volatile/administration & dosage , Lippia/chemistry , Mastitis, Bovine/prevention & control , Artemia , Terpenes/analysis , Biological Assay , Oils, Volatile/chemistry , Hypersensitivity , Gas Chromatography-Mass SpectrometryABSTRACT
Abstract This study presents the first preliminary phytochemical screening and investigation of the lipoidal matter of Latania verschaffeltii Lem. leaves, belonging to the Arecaceae family. Gas chromatography coupled with mass spectroscopy (GC/MS) was used to analyze and identify compounds of saponifiable and unsaponifiable content. The preliminary phytochemical screening of total methanolic extract of Latania verschaffeltii Lem. leaves revealed the presence of unsaturated sterols and/or triterpenes, carbohydrates and/or glycosides, flavonoids, tannins, saponins, and phenolic acids in the leaves. However, cardenolides, cyanogenic compounds, alkaloids, and iridoids were not detected. The results of the gas chromatography/mass spectrometry (GC/MS) analysis indicated that the percentage of saturated fatty acids (83.82%) is higher than that of unsaturated fatty acids (9.42%). The predominant methyl ester of a saturated fatty acid detected in the sample was hexadecanoic acid methyl ester, accounting for 41.68% of the total. The composition of the unsaponifiable matter consisted of hydrocarbons (5.66%), fatty alcohols (0.96%), terpenes (85.97%), and sterols (2.18%). The major terpenes observed were phytol (43.62%) and squalene (39.27%).
Subject(s)
Triage , Plant Leaves/adverse effects , Arecaceae/classification , Egypt/ethnology , Phytochemicals/analysis , Alkaloids/agonists , Gas Chromatography-Mass Spectrometry/methodsABSTRACT
Os sintomas depressivos durante a gravidez e o período pós-parto (PP) são prevalentes e podem ter implicações profundas para o bem-estar materno e infantil. Evidências emergentes sugerem que a microbiota intestinal pode desempenhar um papel na regulação do humor. Este estudo explora a relação entre a composição da microbiota intestinal e os sintomas depressivos em mulheres grávidas e no pós-parto com diferentes intensidade de sintomas. Foram recrutadas gestantes que faziam acompanhamento nos hospitais HCFMUSP e HU- USP. A partir do preenchimento do questionário de Escala de Edimburgo as participantes foram triadas para os grupos de sintomas ausentes ou leves (AL) e sintomas graves ou moderados (MG). Para a análise de microbiota, as participantes forneceram amostras de fezes em três momentos diferentes. Uma no terceiro trimestre de gestação (G) e duas no período pós-parto. A primeira amostra deste período foi coletada durante a internação do pós-parto (P1), e a segunda durante a consulta de retorno um mês após o parto (P2). A composição da microbiota intestinal foi analisada usando técnicas de sequenciamento de alto rendimento e os ácidos graxos de cadeia curta (AGCC) foram quantificados por cromatografia gasosa acoplada à espectrometria de massas (GC-MS). Análises bioinformáticas e estatísticas foram realizadas utilizando os softwares QIIME 2 (2022.2) e R (4.3.1) para identificar possíveis associações entre a composição da microbiota intestinal e a gravidade dos sintomas depressivos. Os resultados indicam que a familia Enterobacteriacea aparece com maior abundância nas mulheres do grupo MG, especialmente durante o período P1 (p<0,05) e que há uma diminuição significativa (p<0,05) de sintomas depressivos nas participantes do grupo MG desde sua triagem até o fim do acompanhamento do estudo, indicando que conduta terapêutica está sendo eficaz. Apesar de não ter sido estabelecida diferença estatística na abundância relativa da microbiota entre os grupos durante a gestação e nos índices de alfa e beta diversidade entre grupos e entre os períodos, é possivel observar uma tendência de mudança de microbiota ao longo do tratamento com aumento do gênero Bifidobacterium, diminuição da familia Enterobacteraceae e é possivel observar uma aparente correlação inversa entre a diminuição da intensidade de sintomas depressivos e o aumento da abundância dos gêneros Bifidobacterium e Clostridium, além do aumento das concentrações de AGCC. Em conclusão, a composição da microbiota intestinal parece ser influenciada pela gravidade dos sintomas depressivos em mulheres grávidas e no pós-parto. Pesquisas adicionais são necessárias para explorar a relação entre a microbiota intestinal e a depressão perinatal e determinar as implicações clínicas dessas descobertas para a saúde materna e infantil.
Depressive symptoms during pregnancy and the postpartum period (PP) are prevalent and can have profound implications for maternal and infant well-being. Emerging evidence suggests that the gut microbiota may play a role in mood regulation. This study explores the relationship between gut microbiota composition and depressive symptoms in pregnant and postpartum women with different symptom severities. A cohort of pregnant women were recruited from HCFMUSP and HU-USP. Participants completed standardized depression assessment tools and were allocate in groups of absent or mild depressive symptoms (AL) and moderate or severe depressive symptoms (MG) and provided stool samples in three different time periods. One at the third gestation trimester (G) and two at the postpartum period. The first sample from this period was collected during postpartum hospitalization(P1), and the second during the onemonth postpartum follow-up appointment (P2). Their gut microbiota composition was analyzed using high-throughput sequencing techniques and Gas chromatography mass spectrometry (GS-MS) for quantification of short-chain fatty acids (SCFAs). Bioinformatic and statistical analyses were performed using softwares QIIME 2 (2022.2) and R (4.3.1) to identify potential associations between gut microbiota composition and depressive symptom severity. Findings that the Enterobacteriaceae family appears more abundantly in women of the MG group, especially during period P1 (p<0.05), and that there is a significant decrease (p<0.05) in depressive symptoms among the participants of the MG group from their screening to the end of the study follow-up, suggesting that the therapeutic approach is effective. Although no statistical differences in alpha and beta diversity indices were established between groups and across periods, it is possible to observe a trend of microbiota change during the treatment, with an increase in the Bifidobacterium genus, a decrease in the Enterobacteriaceae family, and an apparent inverse correlation between the reduction in the intensity of depressive symptoms and the increased abundance of the Bifidobacterium, Clostridium, and Dorea genera, as well as an increase in the concentrations of SCFAs. In conclusion, composition of gut microbiota appears to be influenced by the severity of depressive symptoms in pregnant and postpartum women. Further research is warranted to explore links between gut microbiota and perinatal depression and to determine the clinical implications of these findings for maternal and infant health
Subject(s)
Humans , Female , Pregnancy , Pregnancy , Depression/pathology , Gastrointestinal Microbiome/immunology , Obstetrics/classification , Referral and Consultation/classification , Mass Spectrometry/methods , Bifidobacterium/immunology , Chromatography, Gas/instrumentation , Hospitals/classification , Infant Welfare/classification , Gas Chromatography-Mass Spectrometry/methods , Maternal Welfare/classificationABSTRACT
The lack of effective conventional therapie s against dengue has created an interest in herbal preparations as alternative therapies. In the present study, in vitro effects of Cordia curassavica essential oil (EO) on both dengue virus replication and cytokine production were examined. Predictions of molecular interactions between EO compounds and virus and cell proteins were performed with AutoDock Vina. The EO inhibited replication of dengue virus serotypes at IC 50 < 30 µg/mL, and it reduced 87% TNF - α, 67% IL - 8 and 46% IFN - α in LPS - stimulated PBMCs. The main EO compounds were trans - ß - caryophyllene (21.4%), germacrene D (17.8%), α - copaene (16.5%), trans - ß - guaiene (8.2%), and α - pinene (6.0%). The first two compounds, δ - cadinene, α - muurolene, α - cubebene and ß - burbonene were coupled to proteins involved in the TLR - 4 cytokine effector pathway. 3,7 - Guaiadiene was coupled to the viral E and C proteins. This study demonstrates the potential of C. curassavica EO as a starting point for discovering novel therapeutic for dengue.
La falta de terapias eficaces para el dengue ha suscitado interés por preparados herbales como terapias alternativas. En el presente estudio se examinaron efectos in vitro del aceite e sencial (AE) de Cordia curassavica sobre la replicación del virus dengue y producción de citoquinas. Se realizaron predicciones de interacciones moleculares entre los compuestos del AE y proteínas virales y celulares con AutoDock Vina. El AE inhibió la rep licación de serotipos del virus a CI 50 < 30 µg/mL y redujo 87% TNF - α, 67% IL - 8 y 46% IFN - α en MNCP. Los principales compuestos del AE fueron trans - ß - cariofileno, germacreno D, α - copaeno, trans - ß - guaieno y α - pineno. Los dos primeros compuestos, el δ - cadineno, el α - muuroleno, el α - cubebeno y el ß - burboneno se acoplaron a proteínas implicadas en la vía efectora de citoquinas TLR - 4. El 3,7 - guaiadiene se acopló a las proteínas virales E y C. Este estudio demuestra el potencial del AE de C. curassavica como punto de partida para descubrir nuevas tera pias para el dengue.
Subject(s)
Virus Replication/drug effects , Oils, Volatile/pharmacology , Cytokines , Cordia/chemistry , Dengue Virus/drug effects , Terpenes/analysis , In Vitro Techniques , Enzyme-Linked Immunosorbent Assay , Oils, Volatile/chemistry , Phytotherapeutic Drugs , Gas Chromatography-Mass SpectrometryABSTRACT
The aim of this study was to identify the chemical composition of the Piper arboreum Aubl. essential oil (EO), and to evaluate its inhibitory activity in vitro against the enzymes butyrylcholinesterase (BuChE) and acetylcholinesterase (AChE). The EO was obtained by steam distillation of the leaves, which were collected in Pindal canton of the Loja province in southern Ecuador. The chemical composition was analyzed using the gas chromatography technique coupled to a mass spectrometry detector (GC-MS) and gas chromatography coupled to a flame ionization detector (GC-FID). A total of 41 compounds were identified, the major components found in the oil were limonene (31,46%), ß-selinene (12,01%), (E)-caryophyllene (7,53%), bicyclogermacrene (6,72%), germacrene D (3,83%) and ß-elemene (3,63%). In in vitro analyzes, the EO showed high selective inhibition for BuChE with an IC50 inhibition value of 29,3±3,3 µg/mL. By contrast, the EO was not active against the AChE enzyme (IC50was 100,1±15,2 µg/mL).
El objetivo del presente estudio consistió en identificar la composición química del aceite esencial de la especie Piper arboreum Aubl. y evaluar su actividad inhibitoria in vitro frente a las enzimas butirilcolinesterasa (BuChE) y acetilcolinesterasa (AChE). El aceite esencial (AE) se obtuvo mediante destilación por arrastre de vapor de las hojas de la planta, que se colectaron en el cantón Pindal de la provincia de Loja al sur de Ecuador. La composición química se analizó mediante la técnica de cromatografía de gases acoplado a un detector de espectrometría de masas (GC-MS) y cromatografía de gases acoplado a un detector de ionización de llama (GC-FID). Se identificaron en total 41 compuestos, siendo los mayoritarios, el limoneno (31,46%), ß-selineno (12,01%), (E)-cariofileno (7,53%), biciclogermacreno (6,72%), germacreno D (3,83%) y ß-elemeno (3,63%). En los análisis in vitro, el AE mostró una alta inhibición selectiva para BuChE con un valor de inhibición CI50 de 29,3±3,3 µg/mL. Por el contrario,el AE no resultó activo frente a la enzima AChE con un valor de inhibión CI50= 100,1±15,2 µg/mL.
Subject(s)
Oils, Volatile/pharmacology , Oils, Volatile/chemistry , Cholinesterase Inhibitors/pharmacology , Cholinesterase Inhibitors/chemistry , Piper/chemistry , Sesquiterpenes/analysis , Monoterpenes/analysis , Ecuador , Flame Ionization , Gas Chromatography-Mass SpectrometryABSTRACT
Vegetable extracts have become important raw materials for food, pharmaceutical and cosmetic industries because of their biological potential. The objective of this study was to assess the biological activity of vegetable oils (VOs) extracted from Annona muricata and A. cherimola. Antibacterial activity was determined by plaque microdilution. The assessment of hemolytic inhibition and morphological alterations was performed in erythrocyte cultures by spectrophotometry and microscopy, respectively. Neutrophils were used to analyze both cytotoxicity by the trypan blue exclusion method and the effect on gelatinase granule release (MMP9) via zymography. Whereas VOs showed a mild antibacterial activity (900 µL/mL) on five ATCC bacterial strains, they had no effect on multi-resistant bacteria. In addition, VOs inhibited hydrogen peroxide induced hemolysis and did not cause erythrocyte cell abnormalities. Cytotoxicity was not detected in neutrophils and VOs were able to stimulate MMP9 release. These results support their potential use by the food and cosmetic industries due to their antioxidant, non-cytotoxic, and slight antibacterial capacities.
Los extractos vegetales adquieren importancia en la industria alimentaria, farmacéutica y cosmética, por su potencial biológico. El objetivo de este estudio fue evaluar actividad biológica de los Aceites Vegetales (AV) de semillas de Annona muricata y A. cherimola. La actividad antibacteriana se determinó mediante microdilución en placa; en cultivo de eritrocitos se evaluó inhibición hemolítica por espectrofotometría y alteraciones morfológicas por recuento microscópico; en neutrófilos se evaluó citotoxicidad por método de exclusión con azul de tripán, y el efecto sobre liberación de gránulos de gelatinasa (MMP9) mediante zimografía. Los AV presentaron actividad antibacteriana leve (900 µL/mL) en cinco cepas ATCC, pero no en bacterias multirresistentes; inhibieron la hemolisis inducida por peróxido de hidrogeno; no generaron deformaciones eritrocitarias; no se evidenció citotoxicidad en neutrófilos y estimularon la liberación de MMP9. Los resultados podrían sustentar el uso potencial de estos AV en la industria alimenticia o cosmética, gracias a su capacidad antioxidante, no citotóxica y levemente antibacteriana.
Subject(s)
Plant Oils/pharmacology , Annona/chemistry , Anti-Bacterial Agents/pharmacology , Phytosterols/analysis , Plants, Medicinal , Seeds , Bacteria/drug effects , Plant Oils/chemistry , Microbial Sensitivity Tests , Matrix Metalloproteinase 9 , Erythrocytes/drug effects , Gas Chromatography-Mass Spectrometry , Anti-Bacterial Agents/chemistry , Neutrophils/enzymologyABSTRACT
Food spoilage is a widely neglected problem and the constant use of synthetic fungicides could develop resistant fungi. The objective of this study was to evaluate the chemical composition and antimicrobial activity of Tetradenia riparialeaf essential oil against foodborne disease microorganisms. Leaf essential oil was obtained by hydrodistillation and identified by gas chromatography coupled to mass spectrometry. The antimicrobial activity was studied by broth microdilution. The major compounds identified were oxygenated sesquiterpenes (43.6%): 14-hydroxy-9-epi-(E)-cariophylene (20.8%) and τ-cadinol (18.4%); followed by oxygenated diterpenes (24.6%): 6,7-dehydroroyleanone (12.6%) and 9ß, 13ß-epoxy-7-abiethene (10.6%); sesquiterpenic hydrocarbons (17.1%) and oxygenated monoterpenes (7.4%): fenchone (5.6%). The essential oil had broad antibacterial and antifungal activity, mainly against A. versicolor and P. ochrochloron with fungistatic and fungicidal activities and B. cereus, L. monocytogenes, and S. aureuswith bacteriostatic and bactericidal activities. T. riparialeaf essential oil is a potential alternative to control microorganisms-
El deterioro de los alimentos es un problema ampliamente desatendido y el uso constante de fungicidas sintéticos podría desarrollar hongos resistentes. El objetivo de este estudio fue evaluar la composición química y la actividad antimicrobiana del aceite esencial de hoja de Tetradenia riparia contra microorganismos patógenos transmitidos por los alimentos. El aceite esencial de hoja se obtuvo por hidrodestilación y se identificó mediante cromatografía de gases acoplada a espectrometría de masas. La actividad antimicrobiana estudiada fue por microdilución en caldo. Los compuestos principales del aceite esencial se identificaron como sesquiterpenos oxigenados (43,6%): 14-hidroxi-9-epi-(E)-cariofileno (20,8%) y τ-cadinol (18,4%); seguido de diterpenos oxigenados (24,6%): 6-7-deshidroroileanona (12,6%) y 9ß, 13ß-epoxi-7-abieteno (10,6%); hidrocarburos sesquiterpénicos (17,1%) y monoterpenos oxigenados (7,4%): fenchona (5,6%). Tenía amplia actividad antibacteriana y antifúngica, principalmente contra A. versicolor y P. ochrochloron con actividades fungistáticas y fungicidas, y principalmente contra B. cereus, L. monocytogenes y S. aureus con actividades bacteriostáticas y bactericidas. El aceite esencial de hoja de T. riparia es una alternativa potencial para controlar microorganismos.
Subject(s)
Oils, Volatile/pharmacology , Plant Extracts/pharmacology , Lamiaceae/chemistry , Anti-Infective Agents/pharmacology , Sesquiterpenes/analysis , Staphylococcus/drug effects , Bacillus/drug effects , Microbial Sensitivity Tests , Monoterpenes/analysis , Diterpenes/analysis , Fungi/drug effects , Listeria/drug effects , Gas Chromatography-Mass SpectrometryABSTRACT
Fractions from the Hexane Extract (HE) of Eugenia uniflora L. leaves were subjected to various chromatographic systems. Germacrone sesquiterpene and bornyl acetate bicyclic ester were characterized by High Performance Liquid Chromatography coupled to Mass Spectrometry (HPLC-MS) with APCI Mass detector comparing with their homonymous spectrum provided by databases and characteristic fragmentation pathways were proposed. The monoterpene pulegone and the pentacyclic triterpene compound, ursolic acid, were found through High Performance Liquid Chromatography coupled to High Resolution Mass Spectrometry (HPLC - HRMS) by atmospheric pressure ionization (API) and the detector used was mass of Electronic Impact (IE). Both ursolic acid and bornyl acetate are present in other species of the same genus, but not in the species studied.
Fracciones provenientes del Extracto Hexánico (EH) de hojas de Eugenia uniflora L. fueron sometidas a diversos sistemas cromatográficos. El sesquiterpeno germacrone y el éster bicíclico acetato de bornilo fueron caracterizados por Cromatografía Líquida de Alta Performance acoplada a Espectrometría de Masas (HPLC-MS) con detector Masa APCI comparando con su espectro homónimo aportado por bases de datos y fueron propuestas vías de fragmentación características. El monoterpeno pulegona y el compuesto triterpénico pentacíclico, ácido ursólico, fueron encontrados a través de Cromatografía Líquida de Alta Performance acoplada a Espectrometría de Masas de Alta Resolución (HPLC -HRMS) por ionización a presión atmosférica (API) y el detector usado fue masa de Impacto Electrónico (IE). Tanto el ácido ursólico como el acetato de bornilo están presentes en otras especies del mismo género, no así en la especie estudiada.
Subject(s)
Plant Extracts/chemistry , Eugenia/chemistry , Camphanes/analysis , Plant Extracts/pharmacology , Chromatography, High Pressure Liquid , Plant Leaves , Ursolic Acid/analysis , Hexanes , Gas Chromatography-Mass SpectrometryABSTRACT
Kelussia odoratissima fruits are utilized in Persian traditional medicine as a painkiller and to prevent inflammation-based disorders. Considering the higher content of essential oil in the fruits, the oil's anti-inflammatory and analgesic activities were investigated via the paw edema triggered in mice and the writhing test and hot plate technique, respectively. It was observed that the 100, and 200 mg/Kg doses of the oil revealed an analgesic impact (p<0.001) considering the increment in the reaction time needed for the hot plate approach. Furthermore, 100 and 200 mg/Kg doses of the oil caused a reduction in the frequency of writhes in the mice (p<0.01 and p<0.001, respectively). Using all examined doses of theoil (25, 50, and 100 mg/Kg) caused inflammatory reduction (p<0.001). The findings indicated that the oil possess significant activities against acute inflammation. It had both peripheral and central pain-killing impacts. The main components 3-n-butylphthalide (28.3%) and germacrene D (17.3%) can be considered as the responsible compounds to manage the inflammation and pain.
Las frutas de Kelussia odoratissima se utilizan en la medicina tradicional persa como analgésico y para prevenir los trastornos basados en la inflamación. Teniendo en cuenta el mayor contenido de aceite esencial en las frutas, se investigaron las actividades antiinflamatorias y analgésicas del aceite a través del edema de la pata desencadenado en ratones y la prueba de contorsiones y la técnica del plato caliente, respectivamente. Se observó que las dosis de 100 y 200 mg / kg del aceite revelaron un impacto analgésico (p<0,001) considerando el incremento en el tiempo de reacción necesario para el enfoque de placa caliente. Además, dosis de 100 y 200 mg / kg del aceite provocaron una reducción en la frecuencia de retorcimientos en los ratones (p<0,01 y p<0,001, respectivamente). El uso de todas las dosis examinadas del aceite (25, 50 y 100 mg/kg) provocó una reducción inflamatoria (p<0,001). Los hallazgos indicaron que el aceite posee actividades significativas contra la inflamación aguda. Tiene impactos analgésicos tanto periféricos como centrales. Los principales componentes 3-n-butilftalida (28,3%) y germacreno D (17,3%) pueden considerarse como los compuestos responsables del manejo de la inflamación y el dolor.
Subject(s)
Animals , Male , Rats , Oils, Volatile/administration & dosage , Plant Extracts/administration & dosage , Apiaceae/chemistry , Analgesics/administration & dosage , Anti-Inflammatory Agents/administration & dosage , Benzofurans/cerebrospinal fluid , Oils, Volatile/chemistry , Rats, Wistar , Sesquiterpenes, Germacrane/analysis , Fruit , Gas Chromatography-Mass SpectrometryABSTRACT
Based on GC-MS and network pharmacology, the active constituents, potential targets, and mechanism of essential oil from Gleditsiae Fructus Abnormalis(EOGFA) against cerebral ischemia/reperfusion(I/R) injury were explored, and the effective constituents were verified by experiment. To be specific, GC-MS was used identify the constituents of the volatile oil. Secondly, the targets of the constituents and disease were predicted by network pharmacology, and the drug-constituent-target network was constructed, followed by Gene Ontology(GO) term enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment of the core targets. Molecular docking was performed to investigate the binding affinity between the active constituents and the targets. Finally, SD rats were used for experimental verification. The I/R injury model was established, and the neurological behavior score, infarct volume, and pathological morphology of brain tissue were measured in each group. The content of interleukin-1β(IL-1β), interleukin-6(IL-6), and tumor necrosis factor-alpha(TNF-α) was determined by enzyme-linked immunosorbent assay(ELISA), and the protein expression of vascular endothelial growth factor(VEGF) by Western blot. A total of 22 active constituents and 17 core targets were screened out. The core targets were involved in 56 GO terms and the major KEGG pathways of TNF signaling pathway, VEGF signaling pathway, and sphingolipid signaling pathway. Molecular docking showed that the active constituents had high affinity to the targets. The results of animal experiment suggested that EOGFA can alleviate the neurological impairment, decrease the cerebral infarct volume and the content of IL-1β, IL-6 and TNF-α, and down-regulate the expression of VEGF. The experiment verified the part results of network pharmacology. This study reflects the multi-component, multi-target, and multi-pathway characteristics of EOGFA. The mechanism of its active constituents is related to TNF and VEGF pathways, which provides a new direction for in-depth research on and secondary development of Gleditsiae Fructus Abnormalis.
Subject(s)
Animals , Rats , Rats, Sprague-Dawley , Network Pharmacology , Oils, Volatile , Gas Chromatography-Mass Spectrometry , Interleukin-6 , Molecular Docking Simulation , Tumor Necrosis Factor-alpha , Vascular Endothelial Growth Factor A , Reperfusion Injury , Cerebral InfarctionABSTRACT
In this study, ultra-performance liquid chromatography-quadrupole/time-of-flight mass spectrometry(UPLC-Q-TOF-MS) and gas chromatography-mass spectrometry(GC-MS) were combined with non-targeted metabonomic analysis based on multivariate statistics analysis, and the content of five indicative components in nardosinone was determined and compared by UPLC. The main chemical components of Nardostachyos Radix et Rhizoma with imitative wild cultivation and wild Nardostachyos Radix et Rhizoma were comprehensively analyzed. The results of multivariate statistical analysis based on liquid chromatography-mass spectrometry(LC-MS) and GC-MS were consistent. G1 and G2 of the imitative wild cultivation group and G8-G19 of the wild group were clustered into category 1, while G7 of the wild group and G3-G6 of the imitative wild cultivation group were clustered into category 2. After removing the outlier data of G1, G2, and G7, G3-G6 of the imitative wild cultivation group were clustered into one category, and G8-G19 of the wild group were clustered into the other category. Twenty-six chemical components were identified according to the positive and negative ion modes detected by LC-MS. The content of five indicative components(VIP>1.5) was determined using UPLC, revealing that chlorogenic acid, isochlorogenic acid A, isochlorogenic acid C, linarin, nardosinone, and total content in the imitative wild cultivation group were 1.85, 1.52, 1.26, 0.90, 2.93, and 2.56 times those in the wild group, respectively. OPLS-DA based on GC-MS obtained 10 diffe-rential peaks. Among them, the relative content of α-humulene and aristolene in the imitative wild cultivation group were extremely significantly(P<0.01) and significantly(P<0.05) higher than that in the wild group, while the relative content of 7 components such as 5,6-epoxy-3-hydroxy-7-megastigmen-9-one, γ-eudesmol, and juniper camphor and 12-isopropyl-1,5,9-trimethyl-4,8,13-cyclotetrade-catriene-1,3-diol was extremely significantly(P<0.01) and significantly(P<0.05) lower than that in the wild group, respectively. Therefore, the main chemical components of the imitative wild cultivation group and wild group were basically the same. However, the content of non-volatile components in the imitative wild cultivation group was higher than that in the wild group, and the content of some volatile components was opposite. This study provides scientific data for the comprehensive evaluation of the quality of Nardostachyos Radix et Rhizoma with imitative wild cultivation and wild Nardostachyos Radix et Rhizoma.
Subject(s)
Gas Chromatography-Mass Spectrometry , Chromatography, Liquid , Chromatography, High Pressure Liquid , Drugs, Chinese Herbal/chemistry , Tandem Mass SpectrometryABSTRACT
A gas chromatography-triple quadrupole mass spectrometry(GC-MS) method was established for the simultaneous determination of eleven volatile components in Cinnamomi Oleum and the chemical pattern recognition was utilized to evaluate the quality of essential oil obtained from Cinnamomi Fructus medicinal materials in various habitats. The Cinnamomi Fructus medicinal materials were treated by water distillation, analyzed using GC-MS, and detected by selective ion monitoring(SIM), and the internal standards were used for quantification. The content results of Cinnamomi Oleum from various batches were analyzed by hierarchical clustering analysis(HCA), principal component analysis(PCA), and orthogonal partial least squares-discriminant analysis(OPLS-DA) for the statistic analysis. Eleven components showed good linear relationships within their respective concentration ranges(R~2>0.999 7), with average recoveries of 92.41%-102.1% and RSD of 1.2%-3.2%(n=6). The samples were classified into three categories by HCA and PCA, and 2-nonanone was screened as a marker of variability between batches in combination with OPLS-DA. This method is specific, sensitive, simple, and accurate, and the screened components can be utilized as a basis for the quality control of Cinnamomi Oleum.
Subject(s)
Gas Chromatography-Mass Spectrometry , Plant Oils , Oils, Volatile , Drugs, Chinese Herbal/analysis , Cluster AnalysisABSTRACT
OBJECTIVE@#To analyze the clinical phenotype and genetic basis for a child with acute form of tyrosinemia type I (TYRSN1).@*METHODS@#A child with TYRSN1 who presented at the Gansu Provincial Maternal and Child Health Care Hospital in October 2020 was selected as the subject. The child was subjected to tandem mass spectrometry (MS-MS) and urine gas chromatography-mass spectrometry (GC-MS) for the detection of inherited metabolic disorders, in addition with whole exome sequencing (WES). Candidate variants were validated by Sanger sequencing.@*RESULTS@#The child's clinical features included abdominal distension, hepatomegaly, anemia and tendency of bleeding. By mass spectrometry analysis, her serum and urine tyrosine and succinylacetone levels have both exceeded the normal ranges. WES and Sanger sequencing revealed that she has harbored c.1062+5G>A and c.943T>C (p.Cys315Arg) compound heterozygous variants of the FAH gene, which were inherited from her father and mother, respectively. Among these, the c.943T>C was unreported previously.@*CONCLUSION@#Considering her clinical phenotype and result of genetic testing, the child was diagnosed with TYRSN1 (acute type). The compound heterozygous variants of the FAH gene probably underlay the disease in this child. Above finding has further expanded the spectrum of FAH gene variants, and provided a basis for accurate treatment, genetic counseling and prenatal diagnosis for her family.
Subject(s)
Female , Humans , Child , Gas Chromatography-Mass Spectrometry , Genetic Testing , Mutation , Phenotype , Prenatal Diagnosis , Tyrosinemias/geneticsABSTRACT
Starting with the relationship between mulberry leaves and silkworm droppings as food and metabolites, this study systematically compared the chemical components, screened out differential components, and quantitatively analyzed the main differential components based on ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MS) and UPLC-Q-TRAP-MS combined with principal component analysis(PCA) and orthogonal partial least squares-discriminant analysis(OPLS-DA). Moreover, the in vitro enzymatic transformation of the representative differential components was studied. The results showed that(1) 95 components were identified from mulberry leaves and silkworm droppings, among which 27 components only exist in mulberry leaves and 8 components in silkworm droppings. The main differential components were flavonoid glycosides and chlorogenic acids.(2) Nineteen components with significant difference were quantitatively analyzed, and the components with significant differences and high content were neochlorogenic acid, chlorogenic acid, and rutin.(3) The crude protease in the mid-gut of silkworm significantly metabolized neochlorogenic acid and chlorogenic acid, which may be an important reason for the efficacy change in mulberry leaves and silkworm droppings. This study lays a scientific foundation for the development, utilization, and quality control of mulberry leaves and silkworm droppings. It provides references for clarifying the possible material basis and mechanism of the pungent-cool and dispersing nature of mulberry leaves transforming into the pungent-warm and dampness-resolving nature of silkworm droppings, and offers a new idea for the study of nature-effect transformation mechanism of traditional Chinese medicine.
Subject(s)
Animals , Bombyx , Morus/chemistry , Chlorogenic Acid/analysis , Gas Chromatography-Mass Spectrometry , Chromatography, High Pressure Liquid/methods , Plant Leaves/chemistryABSTRACT
OBJECTIVES@#To identify 1-(4-fluorophenyl)-2-(1-pyrrolidinyl) pentan-1-one (4-F-α-PVP) analog 1-(4-fluoro-3-methyl phenyl)-2-(1-pyrrolidinyl) pentan-1-one (4-F-3-Methyl-α-PVP) hydrochloride without reference substance.@*METHODS@#The direct-injection electron ionization-mass spectrometry (EI-MS), GC-MS, electrospray ionization-high resolution mass spectrometry (ESI-HRMS), ultra-high performance liquid chromatography-high resolution tandem mass spectrometry (UPLC-HRMS/MS), nuclear magnetic resonance (NMR), ion chromatography and Fourier transform infrared spectroscopy (FTIR) were integrated utilized to achieve the structural analysis and characterization of the unknown compound in the sample, and the cleavage mechanism of the fragment ions was deduced by EI-MS and UPLC-HRMS/MS.@*RESULTS@#By analyzing the direct-injection EI-MS, GC-MS, ESI-HRMS and UPLC-HRMS/MS of the compound in the samples, it was concluded that the unknown compound was a structural analog of 4-F-α-PVP, possibly with one more methyl group in the benzene ring. According to the analysis results of 1H-NMR and 13C-NMR, it was further proved that the methyl group is located at the 3-position of the benzene ring. Since the actual number of hydrogen in 1H-NMR analysis was one more than 4-F-3-Methyl-α-PVP neutral molecule, it was inferred that the compound existed in the form of salt. Ion chromatography analysis results showed that the compound contained chlorine anion (content 11.14%-11.16%), with the structural analysis of main functional group information by FTIR, the unknown compound was finally determined to be 4-F-3-Methyl-α-PVP hydrochloride.@*CONCLUSIONS@#A comprehensive method using EI-MS, GC-MS, ESI-HRMS, UPLC-HRMS/MS, NMR, ion chromatography and FTIR to identify 4-F-3-Methyl-α-PVP hydrochloride in samples is established, which will be helpful for the forensic science laboratory to identify this compound or other analog compounds.
Subject(s)
Benzene , Gas Chromatography-Mass Spectrometry/methods , Spectrometry, Mass, Electrospray Ionization , Chromatography, High Pressure Liquid/methodsABSTRACT
This study aims to investigate the impact of the invasive pest Corythucha marmorata on the growth and quality of Artemi-sia argyi. The signs of insect damage at the cultivation base of A. argyi in Huanggang, Hubei were observed. The pests were identified based on morphological and molecular evidence. The pest occurrence pattern and damage mechanism were investigated. Electron microscopy, gas chromatography-mass spectrometry(GC-MS), and high performance liquid chromatography(HPLC) were employed to analyze the microstructure, volatile oils, and flavonoid content of the pest-infested leaves. C. marmorata can cause destructive damage to A. argyi. Small decoloring spots appeared on the leaf surface at the initial stage of infestation. As the damage progressed, the spots spread along the leaf veins and aggregated into patches, causing yellowish leaves and even brownish yellow in the severely affected areas. The insect frequently appeared in summer because it thrives in hot dry conditions. After occurrence on the leaves, microscopic examination revealed that the front of the leaves gradually developed decoloring spots, with black oily stains formed by the black excrement attaching to the glandular hairs. The leaf flesh was also severely damaged, and the non-glandular hairs were broken, disor-ganized, and sticky. The content of neochlorogenic acid, cryptochlorogenic acid, isochlorogenic acids A and B, hispidulin, jaceosidin, and eupatilin at the early stage of infestation was significantly higher than that at the middle stage, and the content decreased at the last stage of infestation. The content of eucalyptol, borneol, terpinyl, and caryophyllin decreased in the moderately damaged leaves and increased in the severely damaged leaves. C. marmorata was discovered for the first time on A. argyi leaves in this study, and its prevention and control deserves special attention. The germplasm materials resistant to this pest can be used to breed C. marmorata-resis-tant A. argyi varieties.
Subject(s)
Artemisia/chemistry , Plant Breeding , Gas Chromatography-Mass Spectrometry , Oils, Volatile/analysis , Chromatography, High Pressure Liquid , Plant Leaves/chemistryABSTRACT
This study is based on ultra-high-performance liquid chromatography(UPLC), gas chromatography-mass spectrometry(GC-MS), and network pharmacology methods to analyze and predict potential quality markers(Q-markers) of Artemisiae Argyi Folium. First, UPLC and GC-MS techniques were used to analyze the content of 12 non-volatile components and 8 volatile components in the leaves of 33 Artemisia argyi germplasm resources as candidate Q-markers. Subsequently, network pharmacology was employed to construct a "component-target-pathway-efficacy" network to screen out core Q-markers, and the biological activity of the markers was validated using molecular docking. Finally, cluster analysis and principal component analysis were performed on the content of Q-markers in the 33 A. argyi germplasm resources. The results showed that 18 candidate components, 60 targets, and 185 relationships were identified, which were associated with 72 pathways related to the treatment of 11 diseases and exhibited 5 other effects. Based on the combination of freedom and component specificity, six components, including eupatilin, cineole, β-caryophyllene, dinatin, jaceosidin, and caryophyllene oxide were selected as potential Q-markers for Artemisiae Argyi Folium. According to the content of these six markers, cluster analysis divided the 33 A. argyi germplasm resources into three groups, and principal component analysis identified S14 as having the highest overall quality. This study provides a reference for exploring Q-markers of Artemisiae Argyi Folium, establishing a quality evaluation system, further studying its pharmacological mechanisms, and breeding new varieties.
Subject(s)
Molecular Docking Simulation , Network Pharmacology , Plant Breeding , Chromatography, High Pressure Liquid/methods , Gas Chromatography-Mass Spectrometry , Artemisia/chemistry , Drugs, Chinese Herbal/chemistryABSTRACT
This study aims to compare the chemical constituents in 24 batches of Artemisiae Argyi Folium samples collected from three different Dao-di producing areas(Anguo in Hebei, Nanyang in Henan, and Qichun in Hubei). An ultra-performance liquid chromatography(UPLC) method was established to determine the content of 13 nonvolatile components, and headspace-gas chromatography-mass spectrometry(HS-GC-MS) was employed for qualitative analysis and comparison of the volatile components. The content of phenolic acids in Artemisiae Argyi Folium was higher than that of flavonoids, and the content of nonvolatile components showed no significant differences among the samples from the three Dao-di producing areas. A total of 40 volatile components were identified, and the relative content of volatile components in Artemisiae Argyi Folium was significantly different among the samples from different Dao-di producing areas. The principal component analysis and partial least squares discriminant analysis identified 8 volatile components as the potential markers for discrimination of Artemisiae Argyi Folium samples from different Dao-di producing areas. This study revealed the differences in the chemical composition of Artemisiae Argyi Folium samples from three different Dao-di producing areas, providing analytical methods and a scientific basis for the discrimination and quality evaluation of Artemisia Argyi Folium in different Dao-di producing areas.