Metabolomic analysis of methyl jasmonate treated Brassica rapa leaves by 2-dimensional NMR spectroscopy

The metabolomic analysis of Brassica rapa leaves treated with methyl jasmonate was performed using 2-dimensional J-resolved NMR spectroscopy combined with multivariate data analysis. The principal component analysis of the J-resolved NMR spectra showed discrimination between control and methyl jasmonate treated plants by principal components 1 and 2. While the level of glucose, sucrose and amino acids showed a decrease after methyl jasmonate treatment, hydroxycinnamates and glucosinolate were highly increased. Methyl jasmonate treatment resulted in a long-term accumulation of indole glucosinolate and indole-3-acetic acid, lasting up to 14 days after treatment. Malate conjugated hydroxycinnamates also exhibited an increase until 14 days after methyl jasmonate treatment, these compounds might play an important role in plant defence responses mediated by methyl jasmonate.     

Nitrogen-containing compounds from Solanum lyratum Thunb

The medicinal plant Solanum lyratum Thunb（Solanaceae）is distributed widely in China. The present phytochemical investigation on S. lyratum led to the isolation of ten known Nitrogen-containing compounds. Compounds 1, 2, 3, 6, 9 were isolated for the first time from this plant and compounds 8,10 were obtained for the first time from Solanum. Compound 10 was isolated from Solanaceae family and obtained outside from Loganiaceae family for the first time. This has important chemotaxonomic significance on solanaceae.     

Comparison of transgenic <Emphasis Type="Italic">Gerbera hybrida</Emphasis> lines and traditional varieties shows no differences in cytotoxicity or metabolic fingerprints

Genetic modification using gene transfer (GM) is still controversial when applied to plant breeding at least in Europe. One major concern is how GM affects other genes and thus the metabolism of the plant. In this study, 225 genetically modified lines of the ornamental plant Gerbera hybrida and 42 non-GM gerbera varieties were used to investigate changes in secondary metabolism. The cytotoxicity of GM and non-GM gerbera extracts was evaluated on human cell lines derived from lung, liver, and intestinal tissues. The results indicate that the safety profile for GM gerbera lines is similar to the viability pattern for non-GM varieties-none of the extracts were toxic. In addition, metabolic fingerprints of gerbera extracts were identified using thin-layer chromatography and analysed by principal component analysis (PCA), the nearest neighbour classifier, and Fligner-Killeen test. No new compounds unique to GM lines were observed. With PCA, no separation between GM gerbera lines and varieties could be demonstrated. In the nearest neighbour classifier, 54% of the samples found the expected neighbour based on the gene constructs used for transformation. With Fligner-Killeen test, we studied if the amounts of compounds vary more in GM gerberas than in varieties. In most cases, there were no statistically significant differences between the varieties and GM lines or there was more variation among the non-GM varieties than in the GM lines. The variance of a single compound was significantly larger in transgenic gerbera lines than in varieties and of three compounds in non-GM varieties.     

姜黄属花卉种质资源表型性状分析

依据姜黄属(Curcuma)花卉育种目标，对16份姜黄属植物的11个数量性状及7个质量性状进行因子和聚类分析评价。结果表明，姜黄属植物表型性状复杂多变，供试材料数量性状变异系数介于26.70%～95.44%，叶片主脉绿色，上苞片藕粉或玫红色，晕斑绿色，唇瓣紫色和旗瓣白色为姜黄属典型表型性状。主成分分析表明，9个重要观赏性状归于3个主成分中。根据表型性状各主成分进行聚类分析，供试16份种质被分为三大类群，第Ⅰ类群11个品种均为姜荷花(Curcuma alismatifolia)，其中‘清迈粉’的上苞片面积最大，观赏性最突出，但株型偏小。第Ⅱ类群4个品种，花型花色极具特色，株型更大，抗性强，以所罗门姜黄(C. soloensis)表现最优。第Ⅲ类群的女皇郁金(C. petiolata)生长势最为强健。在三个类群之间开展杂交育种有望获得兼具观赏性和生长势的后代。     

Metabolic fingerprinting of salt-stressed tomatoes

The aim of this study was to adopt the approach of metabolic fingerprinting through the use of Fourier transform infrared (FT-IR) spectroscopy and chemometrics to study the effect of salinity on tomato fruit. Two varieties of tomato were studied, Edkawy and Simge F1. Salinity treatment significantly reduced the relative growth rate of Simge F1 but had no significant effect on that of Edkawy. In both tomato varieties salt-treatment significantly reduced mean fruit fresh weight and size class but had no significant affect on total fruit number. Marketable yield was however reduced in both varieties due to the occurrence of blossom end rot in response to salinity. Whole fruit flesh extracts from control and salt-grown tomatoes were analysed using FT-IR spectroscopy. Each sample spectrum contained 882 variables, absorbance values at different wavenumbers, making visual analysis difficult and therefore machine learning methods were applied. The unsupervised clustering method, principal component analysis (PCA) showed no discrimination between the control and salt-treated fruit for either variety. The supervised method, discriminant function analysis (DFA) was able to classify control and salt-treated fruit in both varieties. Genetic algorithms (GA) were applied to identify discriminatory regions within the FT-IR spectra important for fruit classification. The GA models were able to classify control and salt-treated fruit with a typical error, when classifying the whole data set, of 9% in Edkawy and 5% in Simge F1. Key regions were identified within the spectra corresponding to nitrile containing compounds and amino radicals. The application of GA enabled the identification of functional groups of potential importance in relation to the response of tomato to salinity.     

Quality evaluation of Astragali Radix using a multivariate statistical approach

The quality of 43 Astragali Radix samples collected in China and Mongolia was evaluated using multivariate statistical analysis of data obtained from liquid chromatography-ion trap-time of flight (LC-IT-TOF) mass spectrometry. The samples were classified into four characteristic groups and most of the marker compounds were identified by elemental composition data and the results of MS/MS analysis. The approach provides useful information and gives an overview of the difference between crude drugs originating from different production environments and the genetic nature of the medicinal plants. In addition, the ease with which particular marker compounds could be identified and the effectiveness of the comparison by means of multivariate statistics, such as principal component analysis (PCA), indicates that this method could be utilized for the establishment of standardization and quality control procedures for crude drugs.     

不同微型月季品种扦插生根效果综合评价

为了筛选易生根的优良微型月季品种,采用主成分分析、隶属函数和聚类分析方法,对7个微型月季品种扦插的7个根系形态指标进行综合评价。结果表明,微型月季品种之间的生根能力存在差异,7个根系形态指标用3个相互独立的综合指标代替,即第1主成分、第2主成分和第3主成分,7个微型月季品种扦插生根效果依次为：‘淑女’、 ‘红色恋人’、‘绝恋’、‘女儿红’、‘维纳斯’、‘春色’、‘灵感’,其中‘淑女’在种苗生产上采用常规扦插方法即可保证较高的插穗成活率。     

不同微型月季品种扦插生根效果综合评价

为了筛选易生根的优良微型月季品种,采用主成分分析、隶属函数和聚类分析方法,对7个微型月季品种扦插的7个根系形态指标进行综合评价。结果表明,微型月季品种之间的生根能力存在差异,7个根系形态指标用3个相互独立的综合指标代替,即第1主成分、第2主成分和第3主成分,7个微型月季品种扦插生根效果依次为：‘淑女’、 ‘红色恋人’、‘绝恋’、‘女儿红’、‘维纳斯’、‘春色’、‘灵感’,其中‘淑女’在种苗生产上采用常规扦插方法即可保证较高的插穗成活率。     

Application of principal components analysis to 1H-NMR data obtained from propolis samples of different geographical origin

Propolis is a widely used natural remedy and a range of biological activities have been attributed to it. The chemical composition of propolis is highly variable and its quality is often controlled on the basis of one or two marker compounds. In order to progress towards a method for the quality control of this complex material, HPLC and 1H-NMR approaches as methods of quality control have been compared. HPLC analyses of 43 samples of propolis were carried out and six marker compounds were quantified in each sample. The same samples were analysed using 1H-NMR and the spectra were then converted into their first derivative forms and digitised using the software application MestRe-C. The digitised data were subjected to principal component analysis using the software application Simca-P. It was found that the chemical composition of propolis mapped well according to the geographical origins of the samples studied when the first three principal components were used to display them. In addition, each sample was assessed for anti-oxidant activity, and the results were then overlaid onto the sample groupings according to 1H-NMR data. It was observed that anti-oxidant properties also mapped quite well according to geographical origin.     

NMR metabolomics of berry quality in sea buckthorn (Hippophae L.)

Sea buckthorn (Hippophae L.) is a woody perennial shrub or small tree whose berries are rich in bioactive compounds with powerful nutritional and medicinal properties. Untargeted ¹H nuclear magnetic resonance (NMR) spectroscopy and principal component analysis (PCA) were used to characterize the metabolic profile of berry quality. There was strong separation in the NMR signal intensity of bioactive compounds between pulp and seeds, such as amino acids [gamma-aminobutyric acid (GABA), aspartate, glutamate, theanine, and proline], organic acids (citrate, succinate, malate, acetate, quinate, and heriguard), and carbohydrates (sucrose, fructose, glucose, and melibiose). Sea buckthorn cultivars could be clearly separated into two groups using principal component analysis (PCA) based on NMR spectroscopy of bioactive compounds in the pulp and seeds. Several metabolic compounds such as sugar, organic acids, and amino acids could serve as biomarkers for prediction of berry quality and for classification of germplasm collections. This dataset provides potential information concerning the mechanisms of berry quality formation and contributes to increasing the breeding efficiency of sea buckthorn quality improvement.     

Chemical Constituents of Species in the Genus Pleione (Orchidaceae) and the Implications from Molecular Phylogeny

Pleiones are popular ornamental orchids and different species of Pleione are long being used as traditional medicine in many Asian countries. However, previous chemical investigations of the genus Pleione are restricted to only a few species. In the present study, high performance liquid chromatography (HPLC) fingerprint of Pleione plants was established, which in particular, eight common peaks were confirmed in 16 species/hybrids. Three of the compounds corresponding to the chromatographic peaks were identified by electrospray ionization tandem mass spectrometry (ESI-tandem-MS). HPLC analysis confirmed the studied taxa shared most of chemical compounds but the content of chemical compounds was significantly different between species. Comparison of hierarchical clustering result with phylogenetic tree revealed that closely related species have higher similarities in chemical constituents. In consideration of low chemical similarity between spring-flowering and autumn-flowering species, we suggest a discrimination of these two groups during medicinal use of the genus Pleione. Species with a large pseudobulb and with high content of a certain compound should be given priority in future artificial cultivation and medicinal cultivar breeding. We hope our findings will contribute to the quality control and promote conservation of such endangered plant group.     

Quantitative Analysis of Bioactive Carbazole Alkaloids in Murraya koenigii (L.) from Six Different Climatic Zones of India Using UPLC/MS/MS and Their Principal Component Analysis

Murraya koenigii (L.) Spreng (Curry leaf) is a commercially important medicinal plant in South Asia, containing therapeutically valuable carbazole alkaloids (CAs). Thus, the quantitative evaluation of these compounds from different climatic zones of India are an important aspect for quality assessment and economic isolation of targeted compounds from the plant. In this study, quantitative estimation of CAs among 34 Indian natural populations of M. koenigii was assessed using UPLC/MS/MS. The collected populations represent the humid subtropical, tropical wet & dry, tropical wet, semi-arid, arid, and montane climatic zones of India. A total of 11 CAs viz. koenine-I, murrayamine A, koenigine, koenimbidine, koenimbine, O-methylmurrayamine A, girinimbine, mahanine, 8,8’’-biskoenigine, isomahanimbine, and mahanimbine were quantified using multiple reaction monitoring (MRM) experiments within 5.0 min. The respective range for natural abundance of CAs were observed as 0.097–1.222, 0.092–5.014, 0.034–0.661, 0.010–1.673, 0.013–7.336, 0.010–0.310, 0.010–0.114, 0.049–5.288, 0.031–1.731, 0.491–3.791, and 0.492–5.399 mg/g in leaves of M. koenigii. The developed method shown linearity regression coefficient (r²>0.9995), LOD (0.003–0.248 ng/mL), LOQ (0.009–0.754 ng/mL), and the recovery was between 88.803–103.729 %. The bulk of these CAs were recorded in their highest concentrations in the humid subtropical zone, followed by the tropical wet & dry zones of India. Further, principal component analysis (PCA) was performed which differentiated the climatic zones according to the dominant and significant CAs contents within the populations. The study concludes that the method established is simple, rapid, with high sample throughput, and can be used as a tool for commercial purposes and quality control of M. koenigii.     

基于主成分分析法的墨兰品种观赏价值评价

以福州地区栽培多年的30个墨兰品种为材料,对其植株高、花色、瓣型等20个观赏性状进行测定和观察,分析墨兰品种观赏性状的变异范围、性状间的相关性以及主成分因子,并利用主成分分析法对30个墨兰品种的观赏价值进行评价。结果表明,不同品种间的16个数量性状均存在不同程度的变异,花部形态存在较大差异,叶片形态和数量变异小;4个质量性状中,花色和叶艺的遗传多样性较高。叶部形态和花部形态的观赏性状间存在显著相关性。20个观赏性状指标可以分为7个主成分因子,分别为株高因子、瓣型因子、花色因子、叶片数因子、花径因子、叶宽因子和叶艺因子,7个主成分因子的方差贡献率累计达全部性状信息的87.35%。通过计算30个品种的重要主成分值并对其进行排序,筛选出4个观赏性状优良的品种,分别为‘白墨’、‘宝山爪’、‘龙梅’和‘金华山’。     

普通鹿蹄草品质与根际和非根际土壤的关系

以野外调查和室内分析相结合,采用相关分析、主成分分析、回归分析、通径分析等多种分析方法,对秦岭太白山区不同生境下野生普通鹿蹄草有效成分(总黄酮、单宁、金丝桃苷、槲皮素和抗氧化活性(DPPHIC50)与其根际和非根际土壤性质的关系做了研究。结论如下:(1)根际土壤速效钾、pH和脲酶与单个有效成分含量之间呈现出显著或极显著作用,而非根际土壤速效钾与5种有效成分均达到显著或极显著正相关。(2)根际土壤速效钾、pH、转化酶和脲酶是影响普通鹿蹄草有效成分含量的主导因子,而非根际土壤有效氮、速效钾、pH和转化酶是综合影响其含量的主导因子。(3)根际土壤速效钾是影响普通鹿蹄草有效成分含量的主要决策因素,而pH、转化酶和脲酶是其主要限制因素;非根际土壤有效氮和速效钾是影响普通鹿蹄草有效成分含量的主要决策因素,而pH和转化酶是其主要限制因素。由此得出,普通鹿蹄草有效成分含量受根际和非根际多种土壤因子的综合影响,且土壤速效钾含量、pH、转化酶是影响其含量的共同因子。     

A new adduct of iriflophene and flavonoid from Sedum aizoon L.

A new adduct of iriflophene and flavonoid, 1, 8, 10, 10b-tetrahydroxy-3-methoxy-5a-(3,4-dihydr- oxyphenyl)-9-(4-hydroxybenzoyl)-5a,10b-dihydro-11H-benzofuro[2,3-b]chromen-11-one (1), together with six known compounds were isolated from the EtOH extract from Sedum aizoon L. Their chemical structures were elucidated by analyses of spectral data. The chemotaxonomic analysis of the compounds was discussed, compounds 1–4 provide important chemotaxonomic markers for S. aizoon.     

不同品种淫羊藿黄酮类有效成分的主成分分析及对肾阳虚大鼠保护作用的研究

采用HPLC测定不同品种淫羊藿黄酮类即淫羊藿苷、朝藿定A、朝藿定B、朝藿定C4种有效成分含量,结合主成分分析对不同品种淫羊藿进行质量分析与评价,并考察淫羊藿对大鼠肾阳虚保护作用.将实验动物随机分为阳虚模型对照组(模型组)、金匮肾气丸干预组(阳性组)、淫羊藿低(125 mg/kg)、中(250 mg/kg)、高(500 ...     

药用木本植物的生态保护

在分析我国药用木本植物的利用现状和特殊性的基础上。揭示了药用木本植物保护与利用之间的矛盾。提出了解决矛盾的根本出路和需要开展的基础研究工作．研究成树主要药用成分的器官分布、季节变化、年龄差异以及与环境因素的相关性;研究幼树主要药用成分的器官分布、季节变化特别是年龄差异;研究环境因素(培育条件)对幼树主要药用成分的影响和调控规律;进一步从蛋白质(主要药用成分代谢过程中的关键酶)和核酸(关键酶的编码基因)水平解析环境因子对幼树主要药用成分的调控机理．     

Innovative development and validation of an HPLC/DAD method for the qualitative and quantitative determination of major cannabinoids in cannabis plant material

GC is commonly used for the analysis of cannabis samples, e.g. in forensic chemistry. However, as this method is based on heating of the sample, acidic forms of cannabinoids are decarboxylated into their neutral counterparts. Conversely, HPLC permits the determination of the original composition of plant cannabinoids by direct analysis. Several HPLC methods have been described in the literature, but most of them failed to separate efficiently all the cannabinoids or were not validated according to general guidelines. By use of an innovative methodology for modelling chromatographic responses, a simple and accurate HPLC/DAD method was developed for the quantification of major neutral and acidic cannabinoids present in cannabis plant material: Δ9-tetrahydrocannabinol (THC), THC acid (THCA), cannabidiol (CBD), CBD acid (CBDA), cannabigerol (CBG), CBG acid (CBGA) and cannabinol (CBN). Δ8-Tetrahydrocannabinol (Δ8-THC) was determined qualitatively. Following the practice of design of experiments, predictive multilinear models were developed and used in order to find optimal chromatographic analytical conditions. The method was validated following an approach using accuracy profiles based on β-expectation tolerance intervals for the total error measurement, and assessing the measurements uncertainty. This analytical method can be used for diverse applications, e.g. plant phenotype determination, evaluation of psychoactive potency and control of material quality.     

Integrative Approach to Analyze Biodiversity and Anti-Inflammatory Bioactivity of Wedelia Medicinal Plants

For the development of “medical foods” and/or botanical drugs as defined USA FDA, clear and systemic characterizations of the taxonomy, index phytochemical components, and the functional or medicinal bioactivities of the reputed or candidate medicinal plant are needed. In this study, we used an integrative approach, including macroscopic and microscopic examination, marker gene analysis, and chemical fingerprinting, to authenticate and validate various species/varieties of Wedelia, a reputed medicinal plant that grows naturally and commonly used in Asian countries. The anti-inflammatory bioactivities of Wedelia extracts were then evaluated in a DSS-induced murine colitis model. Different species/varieties of Wedelia exhibited distinguishable morphology and histological structures. Analysis of the ribosomal DNA internal transcribed spacer (ITS) region revealed significant differences among these plants. Chemical profiling of test Wedelia species demonstrated candidate index compounds and distinguishable secondary metabolites, such as caffeic acid derivatives, which may serve as phytochemical markers or index for quality control and identification of specific Wedelia species. In assessing their effect on treating DSS induced-murine colitis, we observed that only the phytoextract from W. chinensis species exhibited significant anti-inflammatory bioactivity on DSS-induced murine colitis among the various Wedelia species commonly found in Taiwan. Our results provide a translational research approach that may serve as a useful reference platform for biotechnological applications of traditional phytomedicines. Our findings indicate that specific Wedelia species warrant further investigation for potential treatment of human inflammatory bowel disease.