Research on correlation of compositions with oestrogenic activity of Cistanche based on LC/Q-TOF-MS/MS technology

AbstractLC technology is a recognized method used worldwide to evaluate the quality of traditional Chinese medicines (TCM). The quality of TCM has a direct impact on its efficacy. Therefore, in order to thoroughly reveal how TCM exerts its efficacy, first of all, it is necessary to understand the material basis for its efficacy, and then to control the quality of active compounds. The application of the spectrum-effect relationship method is crucial for determining the pharmacological material basis. The goal of this paper was to investigate the underlying correlations between the chemical profiles and oestrogenic activity of Cistanche, to reveal the active compounds. The chemical profiles of Cistanche were recorded using HPLC/Q-TOF-MS/MS, and oestrogenic activity was determined by the Uterus growth test and the MTT assay. Then combining the results of bivariate analysis, principal component analysis and gray correlation analysis method, fifteen active compounds were identified. They are 8-epiloganic acid, salidroside, syringalide A 3’-α-l-rhamnopyranoside, cistanoside A, echinacoside, cistanoside F, cistanoside B, cistanoside C, osmanthuside B, acteoside, isoacteoside, tubuloside B, 2’-acetylacteoside, and two unknown compounds. This study lays a foundation for in vivo studies of Cistanche and for the development of its clinical application.

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Metabolomic Study of a Rat Fever Model Induced with 2,4-Dinitrophenol and the Therapeutic Effects of a Crude Drug Derived from Coptis chinensis

The American Journal of Chinese Medicine ◽

10.1142/s0192415x11008671 ◽

2011 ◽

Vol 39 (01) ◽

pp. 95-109 ◽

Cited By ~ 11

Author(s):

Shumin Liu ◽

Fang Lu ◽

Xijun Wang ◽

Wenjun Sun ◽

Pingping Chen ◽

...

Keyword(s):

New Technology ◽

Principal Component ◽

Xanthurenic Acid ◽

Therapeutic Effects ◽

Healthy Individuals ◽

Coptis Chinensis ◽

Similarities And Differences ◽

Metabolomic Study ◽

Tof Ms

This study describes the metabonomics of fevers in animal models and the therapeutic effects of Rhizoma coptidis extract (RCE) on them. The rat urinary samples were analyzed by UPLC/ ESI–Q-TOF/MS, combined with principal component analysis (PCA). Nine ions were chosen to characterize the similarities and differences in the responses to fever. The ion at m/z 206.0278 was unambiguously identified to be xanthurenic acid. This study demonstrated that the metabonomic approach can readily distinguish between febrile and healthy individuals. This data support the contention that the metabonomic approach represents a promising new technology for the development of rapid-throughput in vivo fever screening. Furthermore, this approach can detect the interfering effects of RCE. This investigation has led the authors to believe that metabonomics is a valid approach for explaining the therapeutic effects of traditional Chinese medicine on fevers.

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Mining the Royal Jelly Proteins: Combinatorial Hexapeptide Ligand Library Significantly Improves the MS-Based Proteomic Identification in Complex Biological Samples

Molecules ◽

10.3390/molecules26092762 ◽

2021 ◽

Vol 26 (9) ◽

pp. 2762

Author(s):

Eliza Matuszewska ◽

Joanna Matysiak ◽

Grzegorz Rosiński ◽

Elżbieta Kędzia ◽

Weronika Ząbek ◽

...

Keyword(s):

Biological Samples ◽

Protein Identification ◽

Royal Jelly ◽

Hypothetical Proteins ◽

Health Promoting ◽

Standards And Regulations ◽

Proteomic Identification ◽

Tof Ms

Royal jelly (RJ) is a complex, creamy secretion produced by the glands of worker bees. Due to its health-promoting properties, it is used by humans as a dietary supplement. However, RJ compounds are not fully characterized yet. Hence, in this research, we aimed to broaden the knowledge of the proteomic composition of fresh RJ. Water extracts of the samples were pre-treated using combinatorial hexapeptide ligand libraries (ProteoMinerTM kit), trypsin-digested, and analyzed by a nanoLC-MALDI-TOF/TOF MS system. To check the ProteoMinerTM performance in the MS-based protein identification, we also examined RJ extracts that were not prepared with the ProteoMinerTM kit. We identified a total of 86 proteins taxonomically classified to Apis spp. (bees). Among them, 74 proteins were detected in RJ extracts pre-treated with ProteoMinerTM kit, and only 50 proteins were found in extracts non-enriched with this technique. Ten of the identified features were hypothetical proteins whose existence has been predicted, but any experimental evidence proves their in vivo expression. Additionally, we detected four uncharacterized proteins of unknown functions. The results of this research indicate that the ProteoMinerTM strategy improves proteomic identification in complex biological samples. Broadening the knowledge of RJ composition may contribute to the development of standards and regulations, enhancing the quality of RJ, and consequently, the safety of its supplementation.

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Identification and Analysis of Chemical Constituents and Rat Serum Metabolites in Gushuling Using UPLC-Q-TOF/MS Coupled with Novel Informatics UNIFI Platform

Evidence-based Complementary and Alternative Medicine ◽

10.1155/2021/2894306 ◽

2021 ◽

Vol 2021 ◽

pp. 1-18

Author(s):

Hong Chang ◽

Shujie Lv ◽

Tengteng Yuan ◽

Huan Wu ◽

Lei Wang ◽

...

Keyword(s):

Chemical Constituents ◽

Ultra Performance Liquid Chromatography ◽

Rat Serum ◽

Treatment Of Osteoporosis ◽

Material Basis ◽

Fragmentation Spectrum ◽

Depth Study ◽

Tof Ms

Gushuling (GSL), a well-known hospital preparation composed of traditional Chinese medicine (TCM), has been widely used in the clinical treatment of osteoporosis (OP) for decades due to its remarkable therapeutic effect. However, the chemical constituents of GSL are still unclear so far, which limits the in-depth study of its pharmacodynamic material basis and further restricts its clinical application. In this study, we developed a strategy for qualitative analysis of the chemical constituents of GSL in vitro and in vivo. Based on the results of ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS) and the UNIFI informatics platform, the chemical constituents of GSL can be determined quickly and effectively. By comparing the retention time, accurate mass, and fragmentation spectrum of the compounds in GSL, a total of 93 compounds were identified or preliminarily identified, including flavonoids, terpenoids, phenylpropanoids, steroids, etc. Among them, nine compounds have been confirmed by standard substances, namely epimedin A, epimedin B, epimedin C, icariin, ecdysterone, calycosin, calycosin-7-glucoside, ononin, and ginsenoside Ro. Fragment patterns and characteristic ions of representative compounds with different chemical structure types were analyzed. At the same time, 20 prototype compounds and 42 metabolites were detected in rat serum. Oxidation, hydration, reduction, dehydration, glutathione S-conjugation, and acetylcysteine conjugation were the main transformation reactions of GSL in rat serum. In this research, the rapid method to characterize the in vitro and in vivo chemical constituents of GSL can not only be used for the standardization and quality control of GSL but also be helpful for further research on its pharmacodynamic material basis.

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Investigation on Spectrum-Effect Correlation between Constituents Absorbed into Blood and Bioactivities of Baizhu Shaoyao San before and after Processing on Ulcerative Colitis Rats by UHPLC/Q-TOF-MS/MS Coupled with Gray Correlation Analysis

Molecules ◽

10.3390/molecules24050940 ◽

2019 ◽

Vol 24 (5) ◽

pp. 940 ◽

Cited By ~ 5

Author(s):

Hao Cai ◽

Yangyang Xu ◽

Li Xie ◽

Yu Duan ◽

Jia Zhou ◽

...

Keyword(s):

Ulcerative Colitis ◽

Correlation Analysis ◽

Gastrointestinal Diseases ◽

Trinitrobenzene Sulfonic Acid ◽

Therapeutic Effects ◽

Before And After ◽

Gray Correlation ◽

Chemical Profiles ◽

Gray Correlation Analysis ◽

Tof Ms

Baizhu Shaoyao San (BSS) is a crucial traditional Chinese medicinal formula widely applied for the treatment of painful diarrhea, diarrhea-predominant irritable bowel syndrome, ulcerative colitis, and some other gastrointestinal diseases. Corresponding to the clinical medication, the three medicinal herbs (Atractylodis Macrocephalae Rhizoma, Paeoniae Radix Alba, and Citri Reticulatae Pericarpium) included in BSS should be processed using some specific methods of stir-frying. To find the underlying correlations between serum chemical profiles and curative effects of crude and processed BSS on ulcerative colitis rats, and further explore for the effective material basis of processing, an UHPLC/Q-TOF-MS/MS technique coupled with gray correlation analysis (GCA) was developed. A total of 134 compounds were identified in rat sera after oral administration of BSS, among which 24 compounds were prototypes and 110 compounds were metabolites. Meanwhile, an ulcerative colitis model was established in rats by enema with 2,4,6-trinitrobenzene sulfonic acid, and the pharmacodynamic indicators for drug efficacies were evaluated as well. According to the results, processed BSS showed better efficacy than crude BSS. The top 10 potential effective components with high degree of correlation were identified based on GCA results, which were thought to be the crucial compounds that contributed to the enhancement of therapeutic effects in BSS after processing.

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Shall I trust you? From child human-robot interaction to trusting relationships

10.31234/osf.io/jqfwp ◽

2019 ◽

Author(s):

Cinzia Di Dio ◽

Federico Manzi ◽

Giulia Peretti ◽

Angelo Cangelosi ◽

Paul L. Harris ◽

...

Keyword(s):

Behavioral Pattern ◽

Human Robot Interaction ◽

School Age Children ◽

Social Relevance ◽

Robot Interaction ◽

Cognitive Correlates ◽

The Social ◽

The Relationship

Studying trust within human-robot interaction is of great importance given the social relevance of robotic agents in a variety of contexts. We investigated the acquisition, loss and restoration of trust when preschool and school-age children played with either a human or a humanoid robot in-vivo. The relationship between trust and the quality of attachment relationships, Theory of Mind, and executive function skills was also investigated. No differences were found in children’s trust in the play-partner as a function of agency (human or robot). Nevertheless, 3-years-olds showed a trend toward trusting the human more than the robot, while 7-years-olds displayed the reverse behavioral pattern, thus highlighting the developing interplay between affective and cognitive correlates of trust.

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Effects of Saccharomyces Cerevisiae Strains on Chemical Profiles of Cabernet Sauvignon Wines: Based on the Combined Results of 1H NMR, HS-SPME/GC-MS and HPLC-DAD-ESI-MS/MS

Current Topics in Nutraceutical Research ◽

10.37290/ctnr2641-452x.18:115-131 ◽

2018 ◽

Vol 18 (2) ◽

pp. 115-131

Author(s):

Liang Heng-Yu ◽

Su Ning ◽

Guo Kun ◽

Wang Yuan ◽

Yang De-Yu

Keyword(s):

Saccharomyces Cerevisiae ◽

Principal Component ◽

Grape Juice ◽

Pilot Scale ◽

Ethyl Esters ◽

Cabernet Sauvignon ◽

Esi Ms ◽

H Nmr ◽

Chemical Profiles ◽

Indigenous Yeasts

Five Saccharomyces cerevisiae strains (Chinese indigenous yeasts SC5, WC5, SC8, CC17 and commercial starter F15) were inoculated into Cabernet sauvignon grape must and fermented at pilot scale. For the first time, combination of 1H NMR, HS-SPME/GC-MS and HPLC-DAD-ESI-MS/MS metabonomic profiling techniques was performed to analyze the global chemical fingerprints of sampled wines at the end of alcoholic and malolactic fermentation respectively, then 13 non-volatile flavor compounds, 52 volatile organic aromas and 43 polyphenolic molecules were identified and determined correspondently. All principal component analysis (PCA) of two fermentation stages based on the analytical results of 1H NMR, HS-SPME/GC-MS and HPLC-DAD-ESI-MS/MS divided these strains into three clusters: (1) SC5 and SC8, (2) WC5 and F15 and (3) CC17. The wine fermented by indigenous yeast, CC17, showed a very unique chemical profile, such as low pH and high color intensity, reduced amino acids (including proline) and the lowest total higher alcohols levels, most of the fixed acids, glycerol, ethyl esters and anthocyanins concentrations. The statistical results indicate that CC17 strain possesses very special anabolism and catabolism abilities on such substances in grape juice and has potentiality to produce characteristic wines with high qualities.

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Multivariate micropollutants analysis in marine waters

Water Science & Technology ◽

10.2166/wst.1995.0701 ◽

1995 ◽

Vol 32 (9-10) ◽

pp. 341-348

Author(s):

V. Librando ◽

G. Magazzù ◽

A. Puglisi

Keyword(s):

Multivariate Data Analysis ◽

Partial Least Squares Regression ◽

Environmental Chemistry ◽

Sampling Site ◽

Principal Component ◽

Least Squares Regression ◽

Organic Micropollutants ◽

Suspended Material ◽

The Difference

The monitoring of water quality today provides a great quantity of data consisting of the values of the parameters measured as a function of time. In the marine environment, and especially in the suspended material, increasing importance is being given to the presence of organic micropollutants, particularly since some are known to be carcinogenic. As the number of measured parameters increases examining the data and their consequent interpretation becomes more difficult. To overcome such difficulties, numerous chemometric techniques have been introduced in environmental chemistry, such as Multivariate Data Analysis (MVDA), Principal Component Analysis (PCA) and Partial Least Squares Regression (PLSR). The use of the first technique in this work has been applied to the interpretation of the quality of Augusta bay, by measuring the concentration of numerous organic micropollutants, together with the classical water pollution parameters, in different sites and at different times. The MVDA has highlighted the difference between various sampling sites whose data were initially thought to be similar. Furthermore, it has allowed a choice of more significant parameters for future monitoring and more suitable sampling site locations.

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Lactoferrin in Bone Tissue Regeneration

Current Medicinal Chemistry ◽

10.2174/0929867326666190503121546 ◽

2020 ◽

Vol 27 (6) ◽

pp. 838-853 ◽

Cited By ~ 6

Author(s):

Madalina Icriverzi ◽

Valentina Dinca ◽

Magdalena Moisei ◽

Robert W. Evans ◽

Mihaela Trif ◽

...

Keyword(s):

Bone Tissue ◽

Tissue Regeneration ◽

Bone Cells ◽

Bone Diseases ◽

Biologically Active Compounds ◽

Biologically Active ◽

Bone Tissue Regeneration ◽

Bone Homeostasis ◽

Active Compounds

: Among the multiple properties exhibited by lactoferrin (Lf), its involvement in bone regeneration processes is of great interest at the present time. A series of in vitro and in vivo studies have revealed the ability of Lf to promote survival, proliferation and differentiation of osteoblast cells and to inhibit bone resorption mediated by osteoclasts. Although the mechanism underlying the action of Lf in bone cells is still not fully elucidated, it has been shown that its mode of action leading to the survival of osteoblasts is complemented by its mitogenic effect. Activation of several signalling pathways and gene expression, in an LRPdependent or independent manner, has been identified. Unlike the effects on osteoblasts, the action on osteoclasts is different, with Lf leading to a total arrest of osteoclastogenesis. : Due to the positive effect of Lf on osteoblasts, the potential use of Lf alone or in combination with different biologically active compounds in bone tissue regeneration and the treatment of bone diseases is of great interest. Since the bioavailability of Lf in vivo is poor, a nanotechnology- based strategy to improve the biological properties of Lf was developed. The investigated formulations include incorporation of Lf into collagen membranes, gelatin hydrogel, liposomes, loading onto nanofibers, porous microspheres, or coating onto silica/titan based implants. Lf has also been coupled with other biologically active compounds such as biomimetic hydroxyapatite, in order to improve the efficacy of biomaterials used in the regulation of bone homeostasis. : This review aims to provide an up-to-date review of research on the involvement of Lf in bone growth and healing and on its use as a potential therapeutic factor in bone tissue regeneration.

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Exploratory Monitoring of the Quality and Authenticity of Commercial Honey in Ecuador

Foods ◽

10.3390/foods8030105 ◽

2019 ◽

Vol 8 (3) ◽

pp. 105 ◽

Cited By ~ 5

Author(s):

Lorena Salvador ◽

Michelle Guijarro ◽

Daniela Rubio ◽

Bolívar Aucatoma ◽

Tanya Guillén ◽

...

Keyword(s):

Honey Bees ◽

Reducing Sugars ◽

Conductivity Measurement ◽

Principal Component ◽

Economic Importance ◽

Critical Problem ◽

Spectroscopic Analyses ◽

Chemical Threats ◽

Raman And Ir Spectroscopy

Honey is one of the oldest sweetening foods and has economic importance, making this product attractive to adulteration with cheap sugars. This can cause a critical problem in the honey industry and a possible health risk. The present work has the aim of evaluating the authenticity of honey commercialized in two different provinces of Ecuador (Pichincha and Loja) by performing physicochemical and spectroscopic analyses. For this study 25 samples were collected from different places and markets and characterized by water, sucrose, reducing sugars and electric conductivity measurement. Also, their Raman and Infrared (IR) spectra were recorded and analysed using a Principal Component Analysis (PCA) in order to verify the quality of the honeys. In addition, a screening of several pesticides was performed in order to verify possible chemical threats to human health and honey bees. It was found that 8 samples have a deviation from the Standard established parameters. Two of them have a high difference in the content of sucrose and reducing sugars, which are located deviated from all the other samples in the PCA of the applied vibrational spectroscopy (IR/Raman), shaping two clear clusters. The results show that Raman and IR spectroscopy is appropriate techniques for the quality control of honey and correlates well with the physicochemical analyses.

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Influence of calcium ion-modified implant surfaces in protein adsorption and implant integration

International Journal of Implant Dentistry ◽

10.1186/s40729-021-00314-1 ◽

2021 ◽

Vol 7 (1) ◽

Author(s):

Eduardo Anitua ◽

Andreia Cerqueira ◽

Francisco Romero-Gavilán ◽

Iñaki García-Arnáez ◽

Cristina Martinez-Ramos ◽

...

Keyword(s):

Protein Adsorption ◽

Titanium Implant ◽

Volume Density ◽

Bone Implant ◽

The Mean ◽

Intervention Costs ◽

Medial Section ◽

Post Implantation

Abstract Background Calcium (Ca) is a well-known element in bone metabolism and blood coagulation. Here, we investigate the link between the protein adsorption pattern and the in vivo responses of surfaces modified with calcium ions (Ca-ion) as compared to standard titanium implant surfaces (control). We used LC–MS/MS to identify the proteins adhered to the surfaces after incubation with human serum and performed bilateral surgeries in the medial section of the femoral condyles of 18 New Zealand white rabbits to test osseointegration at 2 and 8 weeks post-implantation (n=9). Results Ca-ion surfaces adsorbed 181.42 times more FA10 and 3.85 times less FA12 (p<0.001), which are factors of the common and the intrinsic coagulation pathways respectively. We also detected differences in A1AT, PLMN, FA12, KNG1, HEP2, LYSC, PIP, SAMP, VTNC, SAA4, and CFAH (p<0.01). At 2 and 8 weeks post-implantation, the mean bone implant contact (BIC) with Ca-ion surfaces was respectively 1.52 and 1.25 times higher, and the mean bone volume density (BVD) was respectively 1.35 and 1.13 times higher. Differences were statistically significant for BIC at 2 and 8 weeks and for BVD at 2 weeks (p<0.05). Conclusions The strong thrombogenic protein adsorption pattern at Ca-ion surfaces correlated with significantly higher levels of implant osseointegration. More effective implant surfaces combined with smaller implants enable less invasive surgeries, shorter healing times, and overall lower intervention costs, especially in cases of low quantity or quality of bone.

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