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The chemical components of natural fragrant plant extracts are of high complexity, and the strategies for quality control (QC) and further discovery of fragrance mechanisms still need to be further investigated. This study integrated the strategies and methods of untargeted metabolomics and chemometrics and statistical modeling to attain the goal. The techniques of reversed-phase and HILIC analysis of ultra-performance liquid chromatography-high-resolution mass spectrometry (UPLC-HRMS) were simultaneously used to collect data in both positive and negative ion modes. The pattern analysis of fingerprints and discovery of characteristic molecular markers for QC analysis were comprehensively employed to reach in-depth analysis of the quality variation and discovery of differential molecules among natural fragrant plant extracts. The former uses fingerprint technique to analyze their overall similarities and differences, and the latter comprehensively discovers molecular substances characterizing the chemical characteristics of fragrant extracts with the help of metabolomics and univariate and multivariate methods. The findings are expected to be used as the molecular markers in product manufacturing, sales, and consumption to achieve accurate quality control and recognition of targeted molecules for potential quality monitoring using spectroscopy techniques. In this work, 27 natural fragrant extracts were applied as examples, and their chemical components were comprehensively analyzed with discovery of markers for quality control. After data integration, 1178 molecules were annotated, and 267 differential metabolite molecules with the values of variable importance in the projection (VIP) larger than 1.0 were found. The results show that the method proposed in this work is of great significance for high-coverage analysis, QC marker discovery, and aroma mechanism elucidation, which has potential applications in the areas of food, cosmetics, pharmaceuticals, tobacco, and others.
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KEY MESSAGE: 4382 available sgRNAs targeting 1060 tobacco genes were obtained, and 10,682 targeted mutants were created using high-throughput methods. Four optimization experiments were established to solve problems encountered during genetic transformation.
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Sistemas CRISPR-Cas , Nicotiana , Sistemas CRISPR-Cas/genética , Nicotiana/genética , ARN Guía de Sistemas CRISPR-Cas , Edición GénicaRESUMEN
A method of ultra high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry was developed for the simultaneous quantification of 11 sesquiterpene lactones in 11 Jerusalem artichoke leaf samples harvested in a number of areas at different periods. The optimal chromatographic conditions were achieved on a ZORBAX Eclipse Plus C18 column (3.0 × 150 mm, 1.8 µm) with linear gradient elution of methanol and water in 8 min. Quantitative analysis was carried out under selective ion monitoring mode. All of the sesquiterpene lactones showed good linearity (R2 ≥ 0.9949), repeatability (relative standard deviations < 4.66%), and intra- and interday precisions (relative standard deviations < 4.52%) with an accuracy of 95.24-104.84%. The recoveries measured at three concentration levels varied from 95.07 to 104.87% with relative standard deviations less than 4.9%. The limit of detection and limit of quantitation for this method were 0.89-5.05 and 1.12-44.33 ng/mL, respectively. The results showed that the contents of sesquiterpene lactones varied significantly in the Jerusalem artichoke leaf samples from different areas. Among them, the content of sesquiterpene lactones in the sample collected from Dalian, Liaoning province was the highest and the early flowering period was considered to be the optimal harvest time.
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Cromatografía Líquida de Alta Presión , Helianthus/química , Lactonas/análisis , Espectrometría de Masas , Límite de Detección , Hojas de la Planta/química , Sesquiterpenos/análisis , Sesquiterpenos/químicaRESUMEN
Screening of bioactive components is important for modernization and quality control of herbal medicines, while the traditional bioassay-guided phytochemical approach is time-consuming and laborious. The presented study proposes a strategy for rapid screening of active components from herbal medicines. As a case study, the quantitative pattern-activity relationship (QPAR) between compounds and the osteoclastic inhibitory effect of Herba epimedii, a widely used herbal medicine in China, were investigated based on joint models. For model construction, standard mixtures data showed that the joint-action models are better than the partial least-squares (PLS) model. Then, the Good2bad value, which could reflect components' importance based on Monte Carlo sampling, was coupled with the joint-action models for screening of active components. A compound (baohuoside I) and a component composed of compounds with retention times in the 6.9-7.9 min range were selected by our method. Their inhibition rates were higher than icariin, the key bioactive compound in Herba epimedii, which could inhibit osteoclast differentiation and bone resorption in a previous study. Meanwhile, the half-maximal effective concentration, namely, EC50 value of the selected component was 7.54 µg/mL, much smaller than that of baohuoside I-77 µg/mL-which indicated that there is synergistic action between compounds in the selected component. The results clearly show our proposed method is simple and effective in screening the most-bioactive components and compounds, as well as drug-lead components, from herbal medicines.
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Flavonoides/farmacología , Osteoclastos/efectos de los fármacos , Extractos Vegetales/farmacología , Plantas Medicinales/química , Animales , Diferenciación Celular/efectos de los fármacos , Evaluación Preclínica de Medicamentos , Flavonoides/química , Humanos , Análisis de los Mínimos Cuadrados , Osteoclastos/citología , Extractos Vegetales/química , Relación Estructura-Actividad CuantitativaRESUMEN
AIM: To determine how the relative amino acid contents and metabolic pathways regulate the pharmacological phenotypes in rats with cerebral ischemia after treatment with varying doses of DanHong injection (DHI). METHODS: Adult male rats underwent middle cerebral artery occlusion (MCAO), and were injected with DHI (DH-1: 1 mL/kg; DH-2: 2.5 mL/kg; DH-3: 5 mL/kg, and DH-4: 10 mL/kg, iv) daily for 3 d. The neurological deficit score, body weights and infarct volume were assessed. Serum levels of 20 free amino acids were determined using HPLC, and the values were transformed through the quantitative analysis of the amino acids in the serum metabolic spectrum. Multivariate statistical analysis methods (PCA and PLS-DA) and web-based metabolomics tools (MetPa and MetaboAnalyst) were used to analyze the biological data sets for the amino acids. RESULTS: Administration of DHI dose-dependently decreased cerebral infarct volume, and ameliorated neurological deficits. A total of 5, 6, 7 and 7 non-overlapping metabolites were identified in the DH-1, DH-2, DH-3, and DH-4 groups, respectively. Eight metabolites were shared between the DHI groups and the vehicle group. In addition, the serum levels of glutamic acid, aspartic acid and serine increased with increasing DHI dose. A total of 3, 2, 2 and 5 non-overlapping metabolic pathways were identified in the DH-1, DH-2, DH-3 and DH-4 groups, respectively, and glycine, serine, threonine and histidine metabolism were identified as overlapping pathways among the 4 dose groups. CONCLUSION: Overlapping and non-overlapping amino acid metabolites and metabolic pathways are associated with the dose-dependent neuroprotective effect of DHI.
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Aminoácidos/sangre , Encéfalo/efectos de los fármacos , Medicamentos Herbarios Chinos/farmacología , Infarto de la Arteria Cerebral Media/prevención & control , Medicina Tradicional China/métodos , Metabolómica/métodos , Fármacos Neuroprotectores/farmacología , Biología de Sistemas/métodos , Animales , Biomarcadores/sangre , Encéfalo/metabolismo , Encéfalo/patología , Cromatografía Líquida de Alta Presión , Modelos Animales de Enfermedad , Relación Dosis-Respuesta a Droga , Infarto de la Arteria Cerebral Media/sangre , Infarto de la Arteria Cerebral Media/diagnóstico , Masculino , Análisis Multivariante , Fenotipo , Ratas Sprague-Dawley , Integración de SistemasRESUMEN
This is to report the screening, extracting and validating antitumor components and compounds from Stellera chamaejasme L. under the case of discrete distribution of active data. In this work, different components from Stellera chamaejasme L. were collected by HPD macroporous resin and polyamide resin column, and their antitumor activity on A549 were tested by MTT assay. Activity results indicate that activity of components at 30-39 min is more potent than that of Stellera chamaejasme L. extract, and the activity of components at 33.97 min is equivalent to positive drug, cis-platinum at 100 microg x mL(-1), but with totally different mode of action. Under the case of discrete activity, the weight analysis is capable of screening active components and compounds from natural products.
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Antineoplásicos Fitogénicos/farmacología , Thymelaeaceae/química , Línea Celular Tumoral , Ensayos de Selección de Medicamentos Antitumorales , HumanosRESUMEN
The variation of qualitative information among different types of mainstream hyphenated instruments of ultra-performance liquid chromatography coupled to high-resolution mass spectrometry (UPLC-HRMS) makes data sharing and standardization, and further comparison of results consistency in metabolite annotation not easy to attain. In this work, a quantitative study of correlation and difference was first achieved to systematically investigate the variation of retention time (tR), precursor ion (MS1), and product fragment ions (MS2) generated by three typical UPLC-HRMS instruments commonly used in metabolomics area. In terms of the findings of systematic and correlated variation of tR, MS1, and MS2 between different instruments, a computational strategy for integrated metabolite annotation was proposed to reduce the influence of differential ions, which made full use of the characteristic (common) and non-common fragments for scoring assessment. The regular variations of MS2 among three instruments under four collision energy voltages of high, medium, low, and hybrid levels were respectively inspected with three technical replicates at each level. These discoveries could improve general metabolite annotation with a known database and similarity comparison. It should provide the potential for metabolite annotation to generalize qualitative information obtained under different experimental conditions or using instruments from various manufacturers, which is still a big headache in untargeted metabolomics. The mixture of standard compounds and serum samples with the addition of standards were applied to demonstrate the principle and performance of the proposed method. The results showed that it could be an optional strategy for general use in HRMS-based metabolomics to offset the difference in metabolite annotation. It has some potential in untargeted metabolomics.
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Espectrometría de Masas , Metabolómica , Cromatografía Líquida de Alta Presión/métodos , Metabolómica/métodos , Espectrometría de Masas/métodos , Metaboloma/fisiología , HumanosRESUMEN
The application of artificial intelligence art therapies (AIATs) in mental health care represents an innovative merger between digital technology and the therapeutic potential of creative arts. This systematic review aimed to assess the effectiveness and ethical considerations of AIATs, incorporating robots, AI painting and AI Chatbots to augment traditional art therapies. Aligning with the Preferred Reporting Items for systematic reviews (PRISMA) guidelines, we meticulously searched PubMed, Cochrane Library, Web of Science and CNKI, resulting in 15 selected articles for detailed analysis. To ensure methodological quality, we applied the Joanna Briggs Institute (JBI) criteria for quality assessment and extracted data using the PICO(S) format, specifically targeting randomised controlled trials (RCTs). Our findings suggest that AIATs can profoundly enhance the therapeutic experience by providing new creative outlets and reinforcing existing methods, despite possible drawbacks and ethical challenges. This examination underscores AIATs' potential to enrich mental health therapies, emphasising the critical importance of ethical considerations and the responsible application of AI as the field evolves. With a focus on expanding treatment efficacy and patient expressiveness, the promise of AIATs in mental health care necessitates a careful balance between innovation and ethical responsibility. Trial Registration: PROSPERO: CRD42024504472.
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Introduction: Arts therapies offer effective non-pharmacological intervention for Sleep Initiation and Maintenance Disorders (SIMDs), encompassing both passive and active modalities. This review assesses their effectiveness and ethical considerations, focusing on music therapy, meditation, and Tai Chi. Methods: Following PRISMA guidelines, a detailed search across PubMed, the Cochrane Library, Web of Science, and CNKI identified 17 relevant RCTs. Utilizing the Joanna Briggs Institute (JBI) quality criteria and the PICO(S) framework for data extraction ensured methodological integrity. Results: Analysis shows arts therapies significantly improve sleep quality. Music therapy and meditation yield immediate benefits, while Tai Chi and Qigong require longer commitment for significant outcomes. Discussion: The link between SIMDs and mental health issues like anxiety, stress, and depression suggests arts therapies not only enhance sleep quality but also address underlying mental health conditions. The evidence supports a wider adoption of arts therapies in treating SIMDs due to their dual benefits. Systematic review registration: PROSPERO, ID: CRD42024506393.
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Molecular docking has been widely applied in the discovery of new sweeteners, yet the interpretation of computational results sometimes remains difficult. Here, the interaction between the T1R2-T1R3 sweet taste receptor and 66 tasting compounds, including 26 sweet, 19 bitter, and 21 sour substances was investigated by batch molecular docking processes. Statistical analysis of the docking results generated two novel methods of interpreting taste properties. Quantitative correlation between relative sweetness (RS) and docking results created a multiparameter model to predict sweetness intensity, whose correlation coefficient r = 0.74 is much higher than r = 0.17 for the linear correlation model between sweetness and binding energy. The improved correlation indicated that docking results besides binding energy contain undiscovered information about the ligand-protein interaction. Qualitative discriminant analysis of different tasting molecules generated an uncorrelated linear discriminant analysis (UDLA) model, which achieved an overall 93.1% accuracy in discriminating the taste of molecules, with specific accuracy for verifying sweet, bitter, and sour compounds reaching 88.0%, 92.1%, and 100%. These unprecedented models provide a unique perspective for interpreting computational results and may inspire future research on sweetener discovery.
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Edulcorantes , Gusto , Edulcorantes/química , Simulación del Acoplamiento Molecular , Receptores Acoplados a Proteínas G/metabolismo , Percepción del GustoRESUMEN
OBJECTIVE: To screen the best antitumor components of Stellera chamaejasme and their sensitive cell lines. METHOD: Sixteen different components of alcohol extracts from S. chamaejasme, including HH, H1-H8, JH and J1-J8, were got by gradient column chromatography eluted with alcohol in different concentrations. In the first screening, the solvent control group, the drug group, the positive group and the blank group were set up. Then the human cancer cell lines such as hepatocarcinoma BEL-7402, SK-HEP-1, and lung cancer A549, NCI-H157 were processed with the components, and the concentration for each drug group was 100 mg x L(-1). Thus, the 48 hour suppression ratio to the four kinds of cancer cells for each component were compared by the SRB method, to select the most inhibitive components and the most sensitive cell lines, which were used as the subjects of the second screening. In the second screening, each component including the concentration of 6.25, 12.5, 25, 50, 100 mg x L(-1) was used to treat the sensitive cell lines and the inhibition rates to each cell line of 24, 48, 72 h by the SRB assay were detected. Also, the IC50 of each component was calculated and their main chemical composition was analyzed by UPLC-MS. RESULT: The inhibition effect to the proliferation of the different cancer cells has great difference among 16 components, and the lung cancer cells are more sensitive to them than the hepatocarcinoma cells. Besides, the inhibition rates of JS, J6 and H8 are higher than the other components and their effect has a certain time and concentration dependence. At 72 h, the inhibition rate of each component ranges from (60.57 +/- 3.83)% to (96.66 +/- 0.51)% for lung cancer cells, and IC50 from (9.61 +/- 0.79) mg x L(-1) to (55.76 +/- 2.31) mg x L(-1). J5, J6 and H8 are the biflavonoids. CONCLUSION: The biflavonoids in alcohol extracts from S. chamaejasme have exerted a satisfactory inhibitory effect on the lung cancer cell proliferation.
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Antineoplásicos Fitogénicos/farmacología , Extractos Vegetales/farmacología , Thymelaeaceae/química , Antineoplásicos Fitogénicos/química , Línea Celular Tumoral , Proliferación Celular/efectos de los fármacos , Humanos , Concentración 50 Inhibidora , Neoplasias Hepáticas , Neoplasias Pulmonares , Extractos Vegetales/química , Células Tumorales CultivadasRESUMEN
Natural flavors and fragrances or their extracts have been widely used in a large variety of areas, including food, cosmetic, and tobacco industrial processes, among others. The compositions and intrinsic attributes of flavors and fragrances were related to many factors, such as species, geographical origin, planting environment, storage condition, processing method, and so on. This not only increased the difficulty in analyzing the product quality of flavors and fragrances, but also challenged the idea of "quality-by-design (QbD)". This work proposed an integrated strategy for precise discovery of differential compounds among different classes and subsequent quality analysis of complex samples through flavors and fragrances used in tobacco industry as examples. Three pretreatment methods were first inspected to effectively characterize the sample compositions, including direct injection (DI), thermal desorption (TD), and stir bar sorptive extraction (SBSE)-TD, coupled with gas chromatography-mass spectrometry (GC-MS) analysis to obtain characteristic information of samples of flavors and fragrances. Then, principal component analysis (PCA) was applied to discover the relation and difference between chromatographic fingerprints and peak table data once significant components were recognized in a holistic manner. Model population analysis (MPA) was then used to quantitatively extract the characteristic chemicals representing the quality differences among different classes of samples. Some differential marker compounds were discovered for difference analysis, including benzyl alcohol, latin acid, l-menthol acid, decanoic acid ethyl ester, vanillin, trans-o-coumaric acid, benzyl benzoate, and so on. Furthermore, partial least squares-discriminant analysis (PLS-DA) and support vector machine (SVM) were respectively applied to construct multivariate models for evaluation of quality differences and variations. It was found that the accuracy attains to 100% for sample classification. With the help of optimal sample pretreatment technique and chemometric methods, the strategy for quality analysis and difference discovery proposed in this work can be widely delivered to more areas of complex plants with good interpretability and high accuracy.
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Quimiometría , Odorantes , Odorantes/análisis , Cromatografía de Gases y Espectrometría de Masas/métodosRESUMEN
The anti-tumor action of Taxol was investigated in the changes of amino-acids involved in tumor cell survival. By tracing the intracellular amino-acid profiles of HeLa cells treated with non-conditioned and three conditioned media (Taxol, L-alanine, and Taxol + L-alanine), it was observed that an alteration of amino-acid metabolism participates in Taxol-induced death of HeLa cells. The contents of 18 out of 21 detected amino-acids are 5-95% and the ones of lysine and methionine are 158 and 117% of the corresponding contents in the control after treatment with Taxol for 24 h, respectively. Addition of L-alanine inhibited cell apoptosis upon Taxol treatment by partially blocking the increase of lysine and methionine and reversing decrease trend of alanine, glycine, and glutamic acid. These results suggest that interference of amino-acid metabolism might be an important mechanism of Taxol cytotoxicity.
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Aminoácidos/análisis , Antineoplásicos/metabolismo , Muerte Celular , Células Epiteliales/química , Células Epiteliales/efectos de los fármacos , Paclitaxel/metabolismo , Supervivencia Celular/efectos de los fármacos , Medios de Cultivo/química , Medios de Cultivo Condicionados/química , Células HeLa , HumanosRESUMEN
Epimedium was obtained from different habitats, and their bioactive components for inhibiting RAW264.7 were screened by MTT assay. Results indicate that epimedium from different habitats displayed significant different activities. By means of model population analysis (MPA), a latent bioactive component, baohuoside-I was got. Activity of baohuoside-I wasvalidated and prior to icariin. MPA can be used for bioactive components screening.
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Epimedium/química , Flavonoides/farmacología , Proliferación Celular/efectos de los fármacos , Técnicas Citológicas/métodos , Medicamentos Herbarios Chinos/aislamiento & purificación , Medicamentos Herbarios Chinos/farmacología , Flavonoides/aislamiento & purificación , Humanos , Osteoclastos/citología , Plantas Medicinales/químicaRESUMEN
The mining of weak correlation information between two data matrices with high complexity is a very challenging task. A new method named principal component analysis-based multiconfidence ellipse analysis (PCA/MCEA) was proposed in this study, which first applied a confidence ellipse to describe the difference and correlation of such information among different categories of objects/samples on the basis of PCA operation of a single targeted data. This helps to find the number of objects contained in the overlapping and nonoverlapping areas of ellipses obtained from PCA runs. Then, a quantitative evaluation index of correlation between data matrices was defined by comparing the PCA results of more than one data matrix. The similarity and difference between data matrices was further quantified through comprehensively analyzing the outcomes. Complicated data of tobacco agriculture were used as an example to illustrate the strategy of the proposed method, which includes rich features of climate, altitude, and chemical compositions of tobacco leaves. The number of objects of these data reached 171,516 with 14, 4, and 5 descriptors of climate, altitude, and chemicals, respectively. On the basis of the new method, the complex but weak relationship between these independent and dependent variables were interestingly studied. Three widely used but conventional methods were applied for comparison in this work. The results showed the power of the new method to discover the weak correlation between complicated data.
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In order to identify real and fake Panax notoginseng samples, the high performance liquid chromatography (HPLC) was used to analyze P. notoginseng samples of non-volatile characteristic components in P. notoginseng powder samples with 10 %, 30 %, 50 % ratio, combined with principal component analysis - mahalanobis distance (PCA-MD). The results showed that: (1) The PCA analysis showed that mahalanobis with different stem and leaf powder were divided into four categories, and the gravity center of the pattern (classification) showed that the long axis of the trend chart gradually increased with the increase of the proportion of the stem and leaf powder, and the trend chart was gradually away from the control group; (2) The mahalanobis distance indicated that the range of mahalanobis distance fluctuation (upper limit) of several P. notoginseng powder samples is 395.03â¼48252.70. The larger the percentage of the stem and leaf powder in P. notoginseng samples, it is farther away from the normal P. notoginseng samples. It indicated that the product of P. notoginseng samples can be evaluated with the mahalanobis distance. The results of this study can be applied to identification and homogenization evaluation of P. notoginseng between real and fake samples.
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Cromatografía Líquida de Alta Presión/métodos , Panax notoginseng/química , Polvos/química , Hojas de la Planta , Tallos de la Planta , Polvos/análisis , Análisis de Componente PrincipalRESUMEN
Increasing evidence shows the therapeutic superiority of herbal extracts in comparison to isolated single constituents. One of the reasons may be attributed to the synergy effect of compound combinations. Flavonoids from Herba Epimedii have been shown to have therapeutic effect against bone loss. Our previous study showed that Icariside II inhibited pre-osteoclast RAW264.7 growth. The aim of this study was to investigate whether the activity of Icariside II is synergized by other components of Herba Epimedii. The inhibitory activity of Icariside II was significantly enhanced in the presence of the extract of Herba Epimedii (EHE) at the ratio of 1:1, 1:5 and 1:10. Icaritin, another flavonoid constituent, was shown here to inhibit RAW264.7 growth in a dose-dependent manner. Further, we found that Icariside II, together with Icaritin, synergistically inhibited RAW264.7 growth. The synergistic effect is significant when the ratio of Icariside II and Icaritin was 10:1, 5:1, 1:1, 1:2, and 1:5, respectively. In conclusion, Icaritin were an active component. The inhibitory activity of Icariside II on pre-osteoclast RAW264.7 growth was synergized by Icaritin, which maybe contribute to the efficiency of Herba Epimedii extract on curing bone-related diseases, such as osteoporosis.
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Epimedium/química , Flavonoides/farmacología , Osteoclastos/efectos de los fármacos , Animales , Línea Celular , Proliferación Celular/efectos de los fármacos , Sinergismo Farmacológico , Ratones , Extractos Vegetales/farmacologíaRESUMEN
Diabetes is a common metabolic syndrome which presents a serious threat to human health. Traditional Chinese medicine (TCM) has been widely paid attention to its advantages and characteristics in the diagnosis and the treatment of diabetes. A strategy of classifying five TCM syndromes in diabetes (Qi-deficiency, Yin-deficiency, Qi- and Yin-deficiency, Damp heat and Blood stasis) was employed based on plasma fatty acid metabolic profiles, lipid metabolism indicators and chemometrics methods. Using orthogonal signal correction-partial least squares (OSC-PLS) method, the five syndromes were obviously distinguished from those of the health control, which confirmed there existed metabolite differences in different traditional Chinese medicine syndromes. Furthermore, a new method, uncorrelated linear discriminant analysis (ULDA), was applied in the discrimination of health control, TCM deficiency syndromes (Qi-deficiency, Yin-deficiency, Qi- and Yin-deficiency) and TCM empirical syndromes (Damp heat, Blood stasis), which demonstrated better clustering results, the correct rate reached 95.7%. The four potential biomarkers, C20: 2, C20: 5, triglycerides (TG) and high density lipoprotein (HDL), performed large contributions to the classification which can provide important information assisting TCM clinical diagnosis.
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Cromatografía Líquida de Alta Presión/métodos , Diabetes Mellitus/diagnóstico , Ácidos Grasos/sangre , Medicina Tradicional China/métodos , Metaboloma , Diabetes Mellitus/sangre , Diagnóstico Diferencial , Humanos , Metabolómica/métodos , Dinámicas no LinealesRESUMEN
AIMS OF THE STUDY: Traditional Chinese medicine (TCM) has a long history and particular advantages in the diagnosis and treatment of type 2 diabetes mellitus (T2DM). Syndrome differentiation is the foundation and essence of TCM theories. The aims of the study are to discriminate T2DM corresponding to different syndromes (Qi-deficiency, Qi and Yin-deficiency and Damp heat) and discover syndrome-related biomarkers using metabolomics technology. MATERIALS AND METHODS: Plasma fatty acid profiles of 85 clinical samples were established by high performance liquid chromatography (HPLC). Moreover, some of the lipid parameters, including total cholesterol (TC), triglycerides (TG), high-density lipoprotein (HDL) and low-density lipoprotein (LDL), were obtained through clinical testing methods. Orthogonal signal correction-partial least squares (OSC-PLS) and uncorrelated linear discriminant analysis (ULDA) were employed to establish two-class models for three different syndromes. RESULTS: Compared with the plasma fatty acid profiles of healthy controls, the characteristic fatty acids of three TCM syndromes were discovered (p<0.01). Totally, the plasma fatty acids of T2DM were up-regulated, while significant differences existed in different syndromes. Results of ULDA indicate that the three TCM syndromes could be effectively separated by the plasma fatty acid profiles and the syndrome-related biomarkers were also screened. CONCLUSIONS: The fact that three TCM syndromes can be separated indicates certain metabolic differences in different TCM syndromes of T2DM really exist and such differences can be manifested by fatty acids and lipid parameters. The results benefit modern biological interpretation of the three TCM syndromes and in a sense the diagnosis and treatment of diabetes.
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Diabetes Mellitus Tipo 2/sangre , Ácidos Grasos/sangre , Qi , Deficiencia Yin/sangre , Adulto , Humanos , SíndromeRESUMEN
An approach for quantitative determination of amino-acid consumption profiling in culture media by high performance liquid chromatography with fluorescence detection (HPLC-FLD) was developed and validated, using o-phthalic dicarboxaldehyde (OPA) as the derivatizing reagent and norvaline as the internal standard. Mobile phase A was 10 mmol/L Na2HPO4Na2B4O7 buffer (pH 7.95), and mobile phase B was acetonitrile-methanol-water (45:45:10, v/v/v). The linear elution program was 5% B at the start and 52% B at the end in 35 min. The 17 free amino-acids (FAAs) were separated satisfactorily in 33 min. Following HeLa cells incubation in conditioned medias of taxol (4 micromol/L) and mitomycin (75 micromol/L), respectively, with control for 24 h, the media 17 amino-acid consumption profilings were determined, and then analyzed by multivariate statistical analysis based on Matlab7.1 software platform. Relation analysis performed by partial least squares-discriminant analysis (PLS-DA) indicated that in comparison with the control group, the media amino-acid consumption profiling can distinguish the two anticancer drugs with different mechanisms, which provides a new perspective for the pre-classification of drug action mechanisms during the screening of new anticancer drugs. Meanwhile, the idea from the outer into the inner has convenient and economic characteristics.