Comparative comprehension on the anti-rheumatic Chinese herbal medicine Siegesbeckiae Herba: Combined computational predictions and experimental investigations.

ETHNOPHARMACOLOGICAL RELEVANCE: Siegesbeckiae Herba (SH) is a traditional anti-rheumatic herbal medicine in China. The SH-derived product is the first licensed traditional herbal medicinal product for the management of rheumatism-induced joint and muscle pain in United Kingdom. The authenticated plant origins listed in the official Chinese Pharmacopeia for SH include Siegesbeckia orientalis L. (SO), S. pubescens Markino (SP) and S. glabrescens Markino (SG). Although the therapeutic effects of these SH species in treating rheumatoid arthritis (RA) are similar, their difference in chemical profiles suggested their anti-rheumatisms mechanisms and effects may be different. AIM OF THE STUDY: This study was designed to comparatively comprehend the chemical and biological similarity and difference of SO, SP and SG for treating rheumatoid arthritis based on the combination of computational predictions and biological experiment investigations. MATERIALS AND METHODS: The reported compounds for SO, SP and SG were obtained from four chemical databases (SciFinder, Combined Chemical Dictionary v2009, Dictionary of Natural Products and Chinese academy of sciences Chemistry Database). The RA-relevant proteins involved in nuclear factor-kappa B (NF-κB), oxidative stress and autophagy signaling pathways were collected from the databases of Kyoto Encyclopedia of Genes and Genomes and Biocarta. The comparative comprehension of SH plants was performed using similarity analysis, molecular docking and compounds-protein network analysis. The chemical characterization of different SH extracts were qualitatively and quantitatively analyzed, and their effects on specific RA-relevant protein expressions were investigated using Western blotting analysis. RESULTS: Chemical analysis revealed that SO contains mainly sequiterpenes and pimarenoids; SP contains mainly pimarenoids, sequiterpenes, and kaurenoids; and SG contains mainly pimarenoids, flavonoids and alkaloids. Moreover, coincided with the predicted results from computational analysis, different SH species were observed to present different chemical constituents, and diverse effects on RA-relevant proteins at the biological level. CONCLUSIONS: The chemical and biological properties of SO, SP and SG were different and distinctive. The systematic comparison between these three confusing Chinese herbs provides reliable characterization profiles to clarify the pharmacological substances in SH for the precise management of rheumatism/-related diseases in clinics.

Discrimination of three Siegesbeckiae Herba species using UPLC-QTOF/MS-based metabolomics approach.

The plant origin is one of the most important factors for the quality control of traditional Chinese medicines (TCMs) and highly affected on their safety and effectiveness in clinical applications. Multi-origin has been widely observed for many TCMs. Siegesbeckiae Herba (SH) is a traditional anti-rheumatic TCM which is originated from the plants of Siegesbeckia pubescens Makino (SP), S. orientalis L. (SO), and S. glabrescens Makino (SG). In the present study, an UPLC-QTOF/MS method were validated and successfully applied for the determination of the chemical profiles in the three SH species. The data were statistical analyzed with the OPLS-DA analysis and One-Way ANOVA F-test. Obvious differences in chemistry were observed in different SH species and 40 components were identified. Finally, 6 components were selected as potential chemical markers for the discrimination of SP, SO and SG based on the characteristic distribution in individual SH species.

Phenolic Profiles and Antioxidant Activity of Lotus Root Varieties.

Lotus root attracts increasing attention mainly because of its phenolic compounds known as natural antioxidants. Its thirteen varieties were systematically analyzed on the content, distribution, composition and antioxidant activity of phenolic compounds for a better understanding of this aquatic vegetable. The respective mean contents of total phenolics in their flesh, peel and nodes were 1.81, 4.30 and 7.35 mg gallic acid equivalents (GAE)/g fresh weight (FW), and those of total flavonoids were 3.35, 7.69 and 15.58 mg rutin equivalents/g FW. The phenolic composition determined by a high-performance liquid chromatography method varied significantly among varieties and parts. The phenolics of flesh were mainly composed of gallocatechin and catechin; those of peel and node were mainly composed of gallocatechin, gallic acid, catechin and epicatechin. The antioxidant activities of phenolic extracts in increasing order were flesh, peel and node; their mean concentrations for 50% inhibition of 2,2-diphenyl-1-picrylhydrazyl radical were 46.00, 26.43 and 21.72 µg GAE/mL, and their mean values representing ferric reducing antioxidant power were 75.91, 87.66 and 100.43 µg Trolox equivalents/100 µg GAE, respectively. "Zoumayang", "Baheou", "No. 5 elian" and "Guixi Fuou" were the hierarchically clustered varieties with relatively higher phenolic content and stronger antioxidant activity as compared with the others. Especially, their nodes and peels are promising sources of antioxidants for human nutrition.

Modulating fcc and hcp Ruthenium on the Surface of Palladium-Copper Alloy through Tunable Lattice Mismatch.

Herein, we report an epitaxial-growth-mediated method to grow face-centered cubic (fcc) Ru, which is thermodynamically unfavorable in the bulk form, on the surface of Pd-Cu alloy. Induced by the galvanic replacement between Ru and Pd-Cu alloy, a shape transformation from a Pd-Cu@Ru core-shell to a yolk-shell structure was observed during the epitaxial growth. The successful coating of the unconventional crystallographic structure is critically dependent on the moderate lattice mismatch between the fcc Ru overlayer and PdCu3 alloy substrate. Further, both fcc and hexagonal close packed (hcp) Ru can be selectively grown through varying the lattice spacing of the Pd-Cu substrate. The presented findings provide a new synthetic pathway to control the crystallographic structure of metal nanomaterials.

[Isoprenylated phenolic compounds from leaves of Morus yunnanensis].

Phytochemical investigation on an EtOH extract of the leaves of Mons yunnanensis led to the isolation and characterization of 11 isoprenylated phenolic compounds, morusyunnansin G (1), morachalcone B (2), cudraxanthone M (3), cudraxanthone D (4), sanggenofuran B(5), moracin D (6), moracin C (7), moracin I (8), demethylmoracin I (9), morachalcone A (10), and isobacachalcone (11). Compound 1 is a new compound and compounds 2-11 were isolated from this plant for the first time.

Isoprenylated phenolic compounds from leaves of Morus yunnanensis / 中国中药杂志

Phytochemical investigation on an EtOH extract of the leaves of Mons yunnanensis led to the isolation and characterization of 11 isoprenylated phenolic compounds, morusyunnansin G (1), morachalcone B (2), cudraxanthone M (3), cudraxanthone D (4), sanggenofuran B(5), moracin D (6), moracin C (7), moracin I (8), demethylmoracin I (9), morachalcone A (10), and isobacachalcone (11). Compound 1 is a new compound and compounds 2-11 were isolated from this plant for the first time.

New isoprenylated flavones and stilbene derivative from Artocarpus hypargyreus.

Three new isoprenylated flavones, hypargyflavones A-C (1-3, resp.), and one novel stilbene derivative, hypargystilbene A (4), together with seven known compounds, 5-11, were isolated from the stems of Artocarpus hypargyreus Hance. The structures were elucidated by spectroscopic methods. Hypargyflavone A (1), cudraflavone C (8), brosimone I (10), and norartocarpin (11) showed inhibitory effects on pancreatic lipase.

[A study of traditional Chinese medicine syndromes correlated to neurologic function or to coagulation function in patients with acute cerebral infarction].

OBJECTIVE: To investigate the correlations between traditional Chinese medicine (TCM) syndrome elements and neurologic function and between them and coagulation function in patients with acute cerebral infarction (ACI). METHODS: Two hundred and twenty-three patients with ACI were enrolled. The syndromes of this disease were scored according to Stroke Diagnostic Criteria for Differentiation of Syndromes. Neurologic function deficit score (NDS) was scored according to stroke scale of the National Institutes of Health (NIHSS). The prothrombin time (PT), activated partial thromboplastin time (APTT) and fibrinogen (FIB) contents were detected. The correlations between TCM syndrome elements and NDS and between them and coagulation function were investigated. RESULTS: Two hundred and twenty-three patients with ACI were divided into six syndromes: wind syndrome (n=147, 65.92%), fire syndrome ( n=100, 44.84%), tan syndrome (n=123, 55.16%), blood stasis syndrome (n=78, 34.98%), deficiency of qi syndrome (n=31, 13.90%), and yin deficiency causing hyperactivity of yang syndrome (n=25, 11.21%). The wind, tan and fire syndromes were the main syndrome elements related to ACI. The scores of wind, fire, tan and deficiency of qi syndromes were positively related to NDS (r1=0.207, P1=0.002; r2=0.284, P2=0.000; r3=0.245, P3=0.000; r4=0.152, P4=0.023). The score of deficiency of qi syndrome was negatively correlated with PT (r=-0.170, P=0.011); and the scores of tan, blood stasis, and deficiency of qi syndromes were negatively correlated with APTT (r1=-0.182, P1=0.006; r2=-0.148, P2=0.027; r3=-0.211, P3=0.001).Other syndromes were not correlated to NDS or coagulation factors. CONCLUSION: The neurologic function deficiency due to ACI is more likely influenced by wind, tan, and fire syndromes; deficiency of qi syndrome also has some effects. The syndromes of tan, blood stasis, and deficiency of qi are closely correlated with coagulation function, and their scores may reflect the clotting function in patients with ACI.

Three di-O-caffeoylquinic acid derivatives from the heads of Cynara scolymus L.

Three di-O-caffeoylquinic acid derivatives were isolated from the ethanol extracts of the heads of Cynara scolymus L. Their structures were elucidated based on spectra analyses.

[Inhibitory effect kinetics of nitrite acting as electron acceptor on anoxic phosphorus uptake and denitrification].

Nitrite has been found in previous research an inhibitor on anoxic phosphorus uptake in enhanced biological phosphorus removal systems (EBPR). However, the inhibiting nitrite concentration reported varied in a large range and no kinetics study concerned on anoxic phosphorus uptake. This study investigates the nitrite inhibition on anoxic phosphorus uptake with sequencing batch reactor (SBR) in different concentrations of NO2- and under different pH gradient. The activated sludge was cultured with A2/O Oxidation Ditch pilot-scale reactor performing EBPR. The progress of SBR is as follows: the activated sludge was taken out an aerobic zone of the A2/O Oxidation Ditch to SBR, then phosphorus was released with acetate fed in anaerobic phase, subsequently phosphorus uptake proceeded with NO2- added in anoxic phase. It is pointed that not only NO2- but pH inhibited anoxic phosphorus uptake. The result indicated that (1) specific denitrification rate and specific phosphorus uptake rate correlated the original nitrite accord with Andrews's inhibition model under the constant pH. (2) If pH was in the range of 6.5 to 8.0, nitrite inhibited DPR much stronger when pH was less, vice versa. (3) Kinetics parameter was as follows: the max specific denitrification rate was 4.55 mg/(g x h), the half saturation constant of the denitrification process was 2.14 mg/L; and the max specific phosphorus uptake rate was 3.06 mg/(g x h), the half saturation constant of the phosphorus uptake process was 2.64 mg/L.

Changes in soil microbial community structure associated with two types of genetically engineered plants analyzing by PLFA.

With the rapid expansion of GEPs(genetically engineered plants), people are more and more concerned about the ecological risks brought by their release. Assessing the effect of GEPs on soil microbial ecology is indispensable to study their ecological risks. In our study, the phospholipids fatty acid ( PLFA) method was used to analyze the microbial community of soil samples collected from fields with two types of GEPs-Bt transgenic corn and PVY ( potato virus Y) cell protein gene transgenic potato. The principal components analysis (PCA) showed all controls were on the right of related GEPs samples along the PC1 (the first principal component) axis, which means a decrease of fungi in soils with genetically engineered crop since most of PLFAs that are strongly positively correlated with PC1 represent fungi. For samples collected from Bt transgenic cornfield, the ratios of gram-positive to gram-negative bacteria were less than those of controls. For samples of transgenic potato field, these ratios were lower than those of controls when soils were collected from deep layer (20-40 cm), but were higher when soils collected from surface layer(0-20 cm). For soils collected from 0-20 cm, the ratios of fungi to bacteria for all GEPs samples were at the same level. So were such rations for all controls. Changes of soil microbial community in two types of GEPs fields were detected in our study, but the causes and more information still needs further study.

[Studies on the alkaloids from stem of Artabotrys hainanensis].

OBJECTIVE: To investigate the alkaloids from the stem of Artabotrys hainanensis. METHOD: Compounds in plant extracts were separated by silica gel and sephadex LH-20 column chromatography. Chemical structures were elucidated by chemical and spectral analyses including UV, 1H-NMR, 13C-NMR, ESIMS and ESI-MS-MS. RESULT: Eight alkaloids were isolated and identified as spinosine (1), 3-hydroxynornuciferine (2), juzirine (3), artabotrine (4), liridine (5), assimilobine (6), isococlaurine (7), N-demethylarmepavine (8). CONCLUSION: All alkaloids were isolated from this plant for the first time and compounds 1, 3, 7 and 8 were isolated from genus Artabotrys for the first time.

Studies on the alkaloids from stem of Artabotrys hainanensis / 中国中药杂志

<p><b>OBJECTIVE</b>To investigate the alkaloids from the stem of Artabotrys hainanensis.</p><p><b>METHOD</b>Compounds in plant extracts were separated by silica gel and sephadex LH-20 column chromatography. Chemical structures were elucidated by chemical and spectral analyses including UV, 1H-NMR, 13C-NMR, ESIMS and ESI-MS-MS.</p><p><b>RESULT</b>Eight alkaloids were isolated and identified as spinosine (1), 3-hydroxynornuciferine (2), juzirine (3), artabotrine (4), liridine (5), assimilobine (6), isococlaurine (7), N-demethylarmepavine (8).</p><p><b>CONCLUSION</b>All alkaloids were isolated from this plant for the first time and compounds 1, 3, 7 and 8 were isolated from genus Artabotrys for the first time.</p>