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1.
Journal of Forensic Medicine ; (6): 59-66, 2022.
Article in English | WPRIM | ID: wpr-984096

ABSTRACT

OBJECTIVES@#The metabolomics technique of LC-MS/MS combined with data analysis was used to detect changes and differences in metabolic profiles in the vitreous humor of early rat carcasses found in water, and to explore the feasibility of its use for early postmortem submersion interval (PMSI) estimation and the cause of death determination.@*METHODS@#The experimental model was established in natural lake water with 100 SD rats were randomly divided into a drowning group (n=50) and a postmortem (CO2 suffocation) immediately submersion group (n=50). Vitreous humor was extracted from 10 rats in each group at 0, 6, 12, 18 and 24 h postmortem for metabolomics analyses, of which 8 were used as the training set to build the model, and 2 were used as test set. PCA and PLS multivariate statistical analysis were performed to explore the differences in metabolic profiles among PMSI and causes of death in the training set samples. Then random forest (RF) algorithm was used to screen several biomarkers to establish a model.@*RESULTS@#PCA and PLS analysis showed that the metabolic profiles had time regularity, but no differences were found among different causes of death. Thirteen small molecule biomarkers with good temporal correlation were selected by RF algorithm. A simple PMSI estimation model was constructed based on this indicator set, and the data of the test samples showed the mean absolute error (MAE) of the model was 0.847 h.@*CONCLUSIONS@#The 13 metabolic markers screened in the vitreous humor of rat corpses in water had good correlations with the early PMSI. The simplified PMSI estimation model constructed by RF can be used to estimate the PMSI. Additionally, the metabolic profiles of vitreous humor cannot be used for early identification of cause of death in water carcasses.


Subject(s)
Animals , Rats , Biomarkers/metabolism , Cadaver , Chromatography, Liquid , Immersion , Postmortem Changes , Rats, Sprague-Dawley , Tandem Mass Spectrometry , Vitreous Body/metabolism , Water/metabolism
2.
Health SA Gesondheid (Print) ; 27(NA): 1-10, 2022. figures, tables
Article in English | AIM | ID: biblio-1380122

ABSTRACT

Background: The proliferation of information through social media and on other communication networks during the corona virus disease 2019 (COVID-19) era altered information transfer in many countries. The content of the messages from government officials, media coverage and alternative narratives, affected the level of compliance in adhering to the various health protocols amongst the public. Aim: This article aimed to determine the relationship between the message used, media coverage, alternative narratives, the public's attitude towards staying at home and their commitment to stay at home during the COVID-19 pandemic campaign period in Ghana. Setting: A total of 352 respondents was sampled from the Kumasi metropolis. Methods: A survey sample strategy and a convenience sampling technique were used while structural equation modelling with Partial least square (PLS) version 3.0 was used for the analysis. Results: The study revealed that the nature of media coverage employed and the alternative narratives had a significant positive effect on the attitude of the respondents, whilst the content of the message had insignificant effects on the attitude of the public. Finally, the attitude of the people had a significant positive influence on their respective commitment to stay home. Conclusion: Developing countries in Africa need to fight pandemics using purely subsidised health officials or directorates rather than have government-appointed health experts and officials spearheading activities during a pandemic.


Subject(s)
Surveys and Questionnaires , Coronavirus , Communication , Social Media , COVID-19 , Public Health
3.
Article | IMSEAR | ID: sea-210740

ABSTRACT

Alpha-mangostin is the major component in Mangosteen (Garcinia mangostana Linn) pericarp having severalpharmacological activities including reducing blood pressure, antidiabetic, anticancer, and antioxidants. The objectiveof this study was to develop Fourier transform infrared spectroscopy-multivariate calibration of partial least square(PLS) for quantitative analysis of alpha-mangostin and to classify mangosteen pericarp using principal componentanalysis. Mangosteen pericarps from different locations (Java provinces and South Sulawesi, Republic of Indonesia)were extracted using ethanol and were subjected to high performance liquid chromatography (HPLC) for the analysisof alpha-mangostin and Fourier transform infrared (FTIR) spectroscopy measurements. HPLC was used to determinethe levels of alpha-mangostin and used as actual values during FTIR spectroscopy analysis. The prediction of alphamangostin was obtained from the correlation between actual values and FTIR predicted values and facilitated withthe PLS model. The results showed that the wavenumbers region of 3,825–937 cm−1 offered a reliable model with acoefficient correlation (r) value of 0.9927 and root mean square error of calibration of 0.0831%. The validation modelsalso exhibited the accurate and precise results for the prediction of alpha-mangostin with an r-value of 0.9754 androot mean square error of prediction value of 0.174%. Furthermore, the chemometrics of principal component analysisusing variables of absorbances at selected fingerprint (1,000–800 cm−1) could classify mangosteen pericarp fromdifferent regions. FTIR spectroscopy combined with chemometrics offered a reliable method for quality assurance ofmangosteen pericarp

4.
China Journal of Chinese Materia Medica ; (24): 2417-2424, 2020.
Article in Chinese | WPRIM | ID: wpr-827932

ABSTRACT

Artemisiae Argyi Folium, the dried leaves of Artemisia argyi, has been widely used in traditional Chinese and folk medicines for a long time. Qiai is one of the top-geoherb of Artemisiae Argyi Folium. Qiai contains various bioactive constituents, such as volatile oils, phenolic acids, flavonoids and terpenoids. Phytochemical studies demonstrated that volatile compounds are the main bioactive constituents in Qiai. Try to investigate dynamic changes of volatile components of Qiai from different harvest time and explore the optimum harvest time of Qiai, in this study, the contents of total volatile oils in Qiai collected from five different harvest time were analyzed by steam distillation method. The results showed that the contents of volatile oils of Qiai were higher in the third harvest time(around the Dragon Boat Festival), which is basically consistent with the traditional harvest time. Furthermore, a sensitive method based on gas chromatography-mass spectrometry(GC-MS) was established for qualitative analysis of volatile compounds in Qiai, and a total of thirty volatile compounds were identified. Chemometrics methods including principal component analysis(PCA) and orthogonal partial least-squares discriminate analysis(OPLS-DA) were applied to explore chemical markers and dynamic changes of volatile components in Qiai from different harvest time, and the results indicated that there were obvious differences in the relative contents of volatile compounds of Qiai samples from different harvest time. Eight volatile compounds, including α-terpinene, γ-terpinene, D-camphor, trans-carveol, α-copaene, isobornylisobutyrate, humulene, and caryophyllene oxide were selected as potential chemical markers. Among the eight chemical markers, the relative contents of α-terpinene, γ-terpinene, α-copaene and caryophyllene oxide were higher in the third harvest period(around the Dragon Boat Festival), which is consistent with the contents of total volatile oils. The present study could provide the basis for investigating the optimum harvest time of Qiai, and might be useful for the quality control of this herbal medicine.


Subject(s)
Artemisia , Drugs, Chinese Herbal , Flavonoids , Gas Chromatography-Mass Spectrometry , Oils, Volatile
5.
Chinese Journal of Experimental Traditional Medical Formulae ; (24): 205-210, 2019.
Article in Chinese | WPRIM | ID: wpr-801752

ABSTRACT

In recent years, near-infrared spectroscopy has developed into an analytical technique widely used in various fields. Because of its advantages of fast, green and non-destructive, it plays an increasingly prominent role in the field of traditional Chinese medicine (TCM) analysis. However, due to the complexity and overlap of spectra, near-infrared spectroscopy needs to be combined with chemometrics for analysis and calculation. The principle, application scope, advantages and limitations of near infrared spectroscopy and chemometrics are summarized in detail, in addition, their combined applications in the identification of the origin, authenticity, processed products, composition prediction and water content detection of TCM are reviewed. The authors discussed and analyzed the joint application of near-infrared spectroscopy and chemometrics in the field of TCM analysis, and summarized the unique advantages of the combined technology in the field of TCM, which had certain guiding significance for medical workers to better use this technology.

6.
China Journal of Chinese Materia Medica ; (24): 150-157, 2019.
Article in Chinese | WPRIM | ID: wpr-771504

ABSTRACT

Ten fractions(A-J) were prepared by separation of Longxue Tongluo Capsules(LTC) by using silica gel column chromatography and orthogonal experimental design,showing similar chemical profiles with different abundances of peaks.These ten samples were assessed with UHPLC-QE OrbitrapHRMS for 97 common peaks.For the pharmacological activity experiment,three kinds of in vitro cell models including lipopolysaccharide(LPS)-induced BV-2 microglial cells NO release model,oxygen-glucose deprivation/reoxygenation(OGD/R)-treated HUVEC vascular endothelial cells injury model,and OGD/R-treated PC-12 nerve cells injury model were employed to evaluated the bioactivity of each fraction.Based on the contribution of each identified component,grey relation analysis and partial least squares(PLS) analysis were performed to establish component-activity relationship of LTC,identify the potential active components.After that,validation of the potential active components in LTC was carried out by using the same models.The results indicated that 4 phenolic compounds including 7,4'-dihydroxyhomoisoflavanone,loureirin C,4,4'-dihydroxy-2,6-dimethoxydihydrochalcone,and homoisosocotrin-4'-ol,might be the active components for anti-neuroinflammation effect;five phenolic compounds such as 3,5,7,4'-tetrahydroxyhomoisoflavanone,loureirin D,7,4'-dihydroxyhomoisoflavane,and 5,7-dihydroxy-4'-methoxy-8-methyflavane,might have positive effects on the vascular endothelial injury;three phenolic compounds including 5,7,4'-trihydroxyflavanone,7,4'-dihydroxy-5-methoxyhomoisoflavane,and loureirin D,might be the active components in LTC against neuronal injury.


Subject(s)
Humans , Brain Ischemia , Drug Therapy , Capsules , Cell Line , Drugs, Chinese Herbal , Pharmacology , Glucose , Human Umbilical Vein Endothelial Cells , Microglia , Oxygen
7.
Chinese Traditional and Herbal Drugs ; (24): 2194-2200, 2019.
Article in Chinese | WPRIM | ID: wpr-851171

ABSTRACT

Objective To establish an HPLC method for the fingerprints analysis of decoction pieces of tangerine peel, so as to provide reference for the quality control of it. Methods Fingerprints of 17 batches of decoction pieces of tangerine peel were established by HPLC and evaluated by cluster analysis (CA), principal component analysis (PCA) and orthogonal partial least square discriminate analysis (OPLS-DA). Results The method of fingerprint of decoction pieces of tangerine peel was established, the similarities were greater than 0.9. There were 25 common peaks in the HPLC fingerprint, of which variable importance projection (VIP) of 14 peaks were greater than 1. Compared with the spectrogram of reference substances, peak 13 was narirutin, peak 14 was hesperidin, peak 23 was nobiletin, peak 24 was 3,5,6,7,8,3’,4’-heptamethoxy flavone, and peak 25 was hesperetin. Conclusion This simple and reliable method can be used for the identification and quality control of decoction pieces of Citri Reticulatae Pericarpium.

8.
Chinese Pharmaceutical Journal ; (24): 489-493, 2019.
Article in Chinese | WPRIM | ID: wpr-858046

ABSTRACT

OBJECTIVE: To establish the HPLC fingerprint of Valeriana jatamansi and provide a reference for its effective quality control. METHODS: The HPLC-DAD analysis was performed on Diamonsil C18 column (4.6 mm×250 mm, 5 μm), with acetonitrile (A)-0.1% formic acid (B) solution as the mobile phase for gradient elution, the detection wavelength was set at 327 nm (0-33 min) and 256 nm (33-90 min), the flow rate was 1.0 mL•min-1, and the column temperature was maintained at 30 ℃. The fingerprints of 25 batches of Valeriana jatamansi samples were analyzed by similarity analysis, hierarchical clustering analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (PLS-DA). RESULTS: The fingerprints of 25 batches of Valeriana jatamansi samples were established. There were 36 common peaks in the fingerprints and nine common peaks were identified by reference substances. The fingerprints similarity of 18 batches of samples was over 0.9, and the samples were classified into two groups. Six components were the main markers that cause differences in different batches of samples, including valepotriate, acevaltrate, isochlorogenic acid A, and some others. CONCLUSION: HPLC fingerprint combined with recognition of chemical pattern can reflect the intrinsic quality of Valeriana jatamansi, which may provide reference for the quality control and evaluation of Valeriana jatamansi.

9.
China Journal of Chinese Materia Medica ; (24): 2051-2058, 2019.
Article in Chinese | WPRIM | ID: wpr-773129

ABSTRACT

To establish ultra performance liquid chromatography( UPLC) fingerprint of Puerariae Lobatae Radix from different habitats and simultaneously determine the contents of six isoflavonoids. The UPLC fingerprint analysis and content determination were performed on a Waters ACQUITY UPLC BEH C_(18)( 2. 1 mm×50 mm,1. 7 μm) chromatographic column,with acetonitrile-0. 05% formic acid as mobile phase for gradient elution. The detection wavelength was set at 250 nm; the flow rate was 0. 2 mL·min~(-1); the column temperature was 30 ℃ and the injection volume was 2 μL. Similarity evaluation system for chromatographic fingerprint of traditional Chinese medicine( TCM) was adopted; principal component analysis( PCA) and discriminant analysis by partial least square method( PLS-DA) in Simca-P software were used to identify the differential components in samples from three habitats. The similarity was over 0. 90 in 29 batches of samples,indicating good consistency of the samples. The samples were clustered into 3 categories by PCA and PLS-DA,and six differential components such as puerarin apioside,daidzin,and isoflavoues aglycone were found. The determination results of 6 isoflavones,including 3'-hydroxy puerarin,puerarin,3'-methoxy puerarin,puerarin apioside,daidzin,and isoflavoues aglycone,showed that the content of the same component and the fluctuation range between different components were all different among different habitats. The total content of 6 isoflavones from different regions was Anhui 11. 21% >Henan 10. 97% >Shannxi 9. 38%. The establishment of UPLC fingerprint combined with simultaneous determination of 6 active components provides a more comprehensive reference for quality control and quality evaluation of Puerariae Lobatae Radix.


Subject(s)
Chromatography, High Pressure Liquid , Drugs, Chinese Herbal , Chemistry , Ecosystem , Flavonoids , Phytochemicals , Plant Roots , Chemistry , Pueraria , Chemistry
10.
Article | IMSEAR | ID: sea-200616

ABSTRACT

A non-destructive optical method based on near-infrared spectroscopy has been used for the evaluation of litchi fruit quality. Diffuse reflectance measurements (12500–3600 cm-1), physical, and biochemical measurements were performed individually on 100 litchi fruits of cv.Shahi cultivar harvested at different ripening stages. Relationships between spectral wavelengths and quality attributes were evaluated by application of chemometric techniques based on partial least squares (PLS) regression. The fruit set was divided into two groups: 60 fruits for calibration and 39 for validation. Good prediction performance was obtained for pH, soluble solids, and titratable acidity with correlation coefficients of 0.96, 0.91 and 0.94 respectively and root mean square errors of prediction of 0.009, 0.291ºBrix and 0.011% malic acid respectively. For the other quality traits such as vitamin C and color the prediction models were not satisfactorily accurate due to the higherror of calibration and prediction.

11.
China Journal of Chinese Materia Medica ; (24): 3243-3248, 2018.
Article in Chinese | WPRIM | ID: wpr-776929

ABSTRACT

Near infrared spectroscopy combined with chemometrics methods was used to distinguish Ganoderma lucidum samples collected from different origins, and a prediction model was established for rapid determine polysaccharides contents in these samples. The classification accuracy for training dataset was 96.87%, while for independent dataset was 93.33%; as for the prediction model, 5-fold cross-validation was used to optimize the parameters, and different signal processing methods were also optimized to improve the prediction ability of the model. The best square of correlation coefficients for training dataset was 0.965 4, and 0.851 6 for validation dataset; while the root-mean-square deviation values for training dataset and validation dataset were 0.018 5 and 0.023 6, respectively. These results showed that combining near infrared spectroscopy with suitable chemometrics approaches could accuracy distinguish different origins of G. lucidum samples; the established prediction model could precious predict polysaccharides contents, the proposed method can help determine the activity compounds and quality evaluation of G. lucidum.


Subject(s)
Fungal Polysaccharides , Geography , Least-Squares Analysis , Reishi , Chemistry , Spectroscopy, Near-Infrared
12.
Journal of Biomedical Engineering ; (6): 578-582, 2018.
Article in Chinese | WPRIM | ID: wpr-687592

ABSTRACT

Partial least square (PLS) combining with Raman spectroscopy was applied to develop predictive models for plasma paclitaxel concentration detection. In this experiment, 312 samples were scanned by Raman spectroscopy. High performance liquid chromatography (HPLC) was applied to determine the paclitaxel concentration in 312 rat plasma samples. Monte Carlo partial least square (MCPLS) method was successfully performed to identify the outliers and the numbers of calibration set. Based on the values of degree of approach ( ), moving window partial least square (MWPLS) was used to choose the suitable preprocessing method, optimum wavelength variables and the number of latent variables. The correlation coefficients between reference values and predictive values in both calibration set ( ) and validation set ( ) of optimum PLS model were 0.933 1 and 0.926 4, respectively. Furthermore, an independent verification test was performed on the prediction model. The results showed that the correlation error of the 20 validation samples was 9.36%±2.03%, which confirmed the well predictive ability of established PLS quantitative analysis model.

13.
China Pharmacy ; (12): 1616-1620, 2018.
Article in Chinese | WPRIM | ID: wpr-704855

ABSTRACT

OBJECTIVE:To establish the method for rapid judgement of blending endpoint of Jingqi shuangshen capsules and content determination of astragaloside Ⅳ. METHODS:AOTF-NIR combined with principal component analysis and Moving Block Standard Deviation method was used to identify the blending endpoint. First derivative combined with savitzky-golay filter method were used to spectrum pretreatment. The partial least square method was used to establish quantitative analysis model of the content of astragaloside Ⅳin mixed endpoint sample. The content of astragaloside Ⅳ in mixed endpoint sample was determined by HPLC-ELSD to validate the model. RESULTS:Methodology validation of content determination of astragaloside Ⅳ in mixed material sample and mixed endpoint sample was in line with the requirements. NIR monitoring results showed that the product reached the blending endpoint after 30 min. The results of NIR monitoring were generally consistent with the results of HPLC-ELSD. The principal component dimension of the quantitative model was 9;determination coefficients was 0.954 9;Root Mean Square of Calibration of the model was 0.039 2;Root Mean Square Error of Prediction of the model was 0.042 6. Predicted average value of astragaloside Ⅳ by NIR was 11.74 mg/g,and measured average value of astragaloside Ⅳ by HPLC-ELSD was 11.38 mg/g;average deviation was 3.16%. CONCLUSIONS:AOTF-NIR can rapidly judge the blending endpoint sample of Jingqi shuangshen capsules,rapidly determine the content of astragalosideⅣin mixed endpoint material,improve the quality control level of blending process and shorten blending cycle.

14.
China Pharmacy ; (12): 1044-1048, 2018.
Article in Chinese | WPRIM | ID: wpr-704732

ABSTRACT

OBJECTIVE:To establish rapid method for content determination of cryptotanshinone in Salvia miltiorrhiza. METHODS:The content of cryptotanshinone in sample was determined by HPLC(as reference value). AOTF-NIDRS combined with PLS was used to establish quantitative correction model for the content of cryptotanshinone in S. miltiorrhiza. According to the results of content determination of cryptotanshinone in samples,35 samples of medicinal material were collected. First-order derivative combined with smoothing filter coefficient method was used to pretreat spectrum,and optimal band range for content determination of cryptotanshinone in sample ranged 1 250-2 150 nm. RESULTS:Methodology validation of content determination of cryptotanshinone in sample was in line with the requirements. Correction mean square deviation of quantitative correction model of cryptotanshinone was 0.014 6,and predicted mean square deviation was 0.022 3,coefficient of association was 0.976 6. The internal verification deviation was 2.41% and the external verification deviation was 4.06%. CONCLUSIONS:This method is rapid,accurate,simple and pollution-free.It can be used for rapid content determination of cryptotanshinone in S.miltiorrhiza.

15.
Journal of Forensic Medicine ; (6): 223-227, 2018.
Article in Chinese | WPRIM | ID: wpr-984926

ABSTRACT

OBJECTIVES@#To analyse the Fourier transform infrared (FTIR) spectral data of renal tissue at different temperatures in rats after death, and to explore the effects of temperature on the FTIR spectral characteristics of renal tissue.@*METHODS@#The rats were sacrificed by cervical dislocation and placed at 4 ℃, 20 ℃ and 30 ℃. The FTIR spectral data of renal tissue were collected at different time points and analysed by data mining method.@*RESULTS@#The principal component analysis (PCA) results showed that there were significant trends of clustering in the samples of partial time point at 4 ℃, 20 ℃ and 30 ℃. Partial least square (PLS) regression models were established with the spectral data at three temperature groups. The performance of PLS regression models in 20 ℃ and 30 ℃ groups were more superior than that in 4 ℃ group, and the stability of the model in 20 ℃ group was better than that in 30 ℃ group.@*CONCLUSIONS@#There are differences in the FTIR spectral characteristics of renal tissue of rats after death at different temperatures. Temperature has a major impact on the performance of FTIR spectral PLS regression model. Therefore, in order to improve the accuracy of postmortem interval estimation, the effects of temperature on the model should be considered in the related study by spectral method.


Subject(s)
Animals , Rats , Autopsy , Death , Postmortem Changes , Spectroscopy, Fourier Transform Infrared/methods , Temperature
16.
China Pharmacy ; (12): 2539-2542, 2017.
Article in Chinese | WPRIM | ID: wpr-619798

ABSTRACT

OBJECTIVE:To establish the method for the rapid determination of stilbene glycoside in Shouwu pills. METH-ODS:HPLC method was used to determine the content of stilbene glycoside in Shouwu pills(as measured value). The determina-tion was performed on ODS-C18 column with mobile phase consisted of acetonitrile-water(25:75,V/V)at the flow rate of 0.8 mL/min. The detection wavelength was set at 320 nm,and the column temperature was 30 ℃. The sample size was 10 μL. The partial least square method-near infrared diffuse reflectance spectrophotometry was used to establish quantitative calibration model for pre-dicting the content of stilbene glycoside in Shouwu pills. According to measured value,76 calibration set samples and 24 validation set samples were collected. Standard normalization method and first-order derivative method combined with Savitzky-Goly filter method were used for spectrum pretreatment. The optimal band ranged 9000-4150 cm-1,and main component factor was 12. RE-SULTS:The content determination method of stilbene glycoside in Shouwu pills was in line with the requirements. The correlation coefficients,the root-mean-square error of calibration,the root-mean-square error of predication and the root-mean-square error of cross-validation(RMSECV)of the quantitative calibration model were 0.99190,0.0201,0.0236 and 0.07629. There was no sta-tistical significance between predicted value and measured value(P>0.05). CONCLUSIONS:The method is accurate,stable and simple,and can be used for rapid determination of stilbene glycoside in Shouwu pills.

17.
China Journal of Chinese Materia Medica ; (24): 1043-1047, 2017.
Article in Chinese | WPRIM | ID: wpr-275422

ABSTRACT

Quality by design (QbD) highlights the concept of "begin with the end", which means to thoroughly understand the target product quality first, and then guide pharmaceutical process development and quality control throughout the whole manufacturing process. In this paper, the Ginkgo biloba granules intermediates were taken as the research object, and the requirements of the tensile strength of tablets were treated as the goals to establish the methods for identification of granules' critical quality attributes (CQAs) and establishment of CQAs' limits. Firstly, the orthogonal partial least square (OPLS) model was adopted to build the relationship between the micromeritic properties of 29 batches of granules and the tensile strength of ginkgo leaf tablets, and thereby the potential critical quality attributes (pCQAs) were screened by variable importance in the projection (VIP) indexes. Then, a series of OPLS models were rebuilt by reducing pCQAs variables one by one in view of the rule of VIP values from low to high in sequence. The model performance results demonstrated that calibration and predictive performance of the model had no decreasing trend after variables reduction. In consideration of the results from variables selection as well as the collinearity test and testability of the pCQAs, the median particle size (D₅₀) and the bulk density (Da) were identified as critical quality attributes (CQAs). The design space of CQAs was developed based on a multiple linear regression model established between the CQAs (D₅₀ and Da) and the tensile strength. The control constraints of the CQAs were determined as 170 μm< D₅₀<500 μm and 0.30 g•cm⁻³<Da<0.44 g•cm⁻³ according to the design space, which provided a basis for controlling and optimizing the wet granulation process of the ginkgo leaf tablet..

18.
Chinese Journal of Rehabilitation Theory and Practice ; (12): 448-454, 2016.
Article in Chinese | WPRIM | ID: wpr-492158

ABSTRACT

Objective To analyze the metabolic profile of children with dyskinetic cerebral palsy by metabolomics, and its abnormal metabolic pathway. Methods The serum of 10 children with dyskinetic cerebral palsy (patient group) and 7 healthy children (control group) aged 6 to 12 years were collected at clinic from May to August, 2014. The serum samples were tested by the nuclear magnetic resonance spectrometer and the spectroscopies were discriminated by partial least squares-discriminant analysis. According to the human metabolome database, the final metabolites disturbed would be figured out. Results 15 chemical shifts were defined, and 6 of them, including 2.04 ppm, 2.12 ppm, 3.00 ppm, 3.24 ppm, 3.76 ppm, 6.50 ppm, were significantly different between 2 groups (P<0.05). The KEGG Pathway Database showed that the levels of taurine, fumarate, oxaloacete, pyruvate, citrate, aspartate, succinate, malate, cysteine decreased, and the levels of glutamate, 2-oxoglutarate, glutamine, leucine, alanine increased. The abnormal metabolism was found in taurine metabolism, glutamine me-tabolism and energy metabolism pathways. Conclusion Based on metabolomics, the metabolic profile of children with dyskinetic cerebral palsy was discriminated out successfully. The further research can focus on the small molecules found out.

19.
Chinese Pharmaceutical Journal ; (24): 1905-1911, 2015.
Article in Chinese | WPRIM | ID: wpr-859319

ABSTRACT

OBJECTIVE: To evaluate hepatoprotection in Nrf2/ARE oxidation/chemical stress defense pathwaycaused by isoliquiritigenin (Iso) based on analysis of bile acids using profile of bile acids. METHODS: High performance liquid chromatography coupled with quadrupole mass spectrometry (HPLC-MS/MS) was applied to determine the contents of all kinds of endogenous bile acids including free bile acids, taurine conjugates and glycine conjugates. By the luciferase reporter gene assay for screening Nrf2-ARE signal targeting molecular experiments in liquorice extract, isoliquiritigenin was capable of markedly activating Nrf2-driven gene expression, therefore it was used to evaluate hepatoprotection in Nrf2/ARE oxidation/chemical stress defense pathway. RESULTS: Based on the analysis using principle components analysis (PCA), partial least square-discriminant analysis (PLS-DA), Nrf2+/+, Nrf2-/- and Iso Nrf2+/+ groups could be distinguished from their Iso Nrf2-/- group, which suggested that the variance of the contents of bile acids could evaluate hepatoprotection caused by Iso. Bile acids of ursodeoxycholic acid (UDCA), chenodeoxycholic acid (CDCA), cholic acid(CA), sodium taurodeoxycholate hydrate (TDCA), deoxycholic acid (DCA), taurocholic acid(TCA) proved to be important corresponds to Iso induced liver protection according to analysis of partial least square-discriminant analysis (PLS-DA) and the statistical analysis showed that there were significant differences among the four groups. It indicated that UDCA, CDCA, CA, TDCA, DCA and TCA could be considered as sensitive biomarkers of Iso induced liver protection. CONCLUSION: This work can provide the base for the further research on the evaluation and mechanism of hepatoprotection caused by liquorice.

20.
Rev. bras. eng. biomed ; 30(1): 54-63, Mar. 2014. ilus, tab
Article in English | LILACS | ID: lil-707137

ABSTRACT

INTRODUCTION: Rheumatic diseases are considered public health problems affecting millions of people worldwide resulting in high and rising health-care costs. In this work, Fourier Transform Infrared spectroscopy associated to Partial Least Square regression (PLS) analysis was used to diagnose rheumatoid arthritis (RA) from human serum. METHODS: The sera of 94 individuals were collected, which included 47 from rheumatic patients and 47 from healthy individuals. The results from PLS analysis were compared to standard clinical trials such as anti-citrullinated peptide antibodies, C- Reactive protein, and Rheumatoid factor. RESULTS: For clinical diagnosis, the anti-citrullinated peptide antibodies of second generation proved to be the most specific to diagnosis rheumatoid arthritis even after long periods of drug therapy. CONCLUSIONS: The qualitative PLS analysis has shown higher values of IgM of RA group, but the difference was very small. The RA patients were under medication, which interfered with the IgM concentration.

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