Application of Metabolomics in Traditional Chinese Medicine Differentiation of Deficiency and Excess Syndromes in Patients with Diabetes Mellitus

Metabolic profiling is widely used as a probe in diagnosing diseases. In this study, the metabolic profiling of urinary carbohydrates was investigated using gas chromatography/mass spectrometry (GC/MS) and multivariate statistical analysis. The kernel-based orthogonal projections to latent structures (K-OPLS) model were established and validated to distinguish between subjects with and without diabetes mellitus (DM). The model was combined with subwindow permutation analysis (SPA) in order to extract novel biomarker information. Furthermore, the K-OPLS model visually represented the alterations in urinary carbohydrate profiles of excess and deficiency syndromes in patients with diabetes. The combination of GC/MS and K-OPLS/SPA analysis allowed the urinary carbohydrate metabolic characterization of DM patients with different traditional Chinese medicine (TCM) syndromes, including biomarkers different from non-DM patients. The method presented in this study might be a complement or an alternative to TCM syndrome research

The Effects Of Surface Characteristics On Liquid Behaviors Of Fins During Frosting And Defrosting Processes

Liquid behaviors, including droplet condensation and frost melt water retention, of fins during frosting and defrosting processes on three aluminum fins with different surface characteristics under winter operating conditions of an air source heat pump were investigated. The effects of the surface characteristics, including the contact angle and the contact angle hysteresis, were analyzed. Droplets were observed firstly on a bare fin and on a super hydrophobic fin last, and exhibited different sizes and shapes under the effects of the surface characteristics. The droplet distribution was sparser on the super hydrophobic fin than on the other two fins because of the consolidation, rolling and departure of droplets. There was an obvious difference on frost melt water retention between the three fins. Residual water formed a thin water film on a hydrophilic fin, while only a few spherical droplets of small sizes stayed on the super hydrophobic fin. The effects of the surface characteristics were found to be significant on the mass of residual water, which decreased by 79.82% on the super hydrophobic fin compared with that on the hydrophilic fin. Finally, the effects of the contact angle and the contact angle hysteresis on frost melt water retention were quantitatively analyzed. Results indicate that the super hydrophobic fin can restrain the droplet condensation and frost melt water retention

2,2′-(p-Phenyl­ene)bis­(4,5-dihydro-1H-imidazol-3-ium) bis­(3-nitro­benzoate)

In the title compound, C12H16N4 +·2C7H4NO4 −, the complete 2,2′-(p-phenyl­ene)bis­(4,5-dihydro-1H-imidazol-3-ium) (bib) dication is generated by crystallographic inversion symmetry. The bib cations reside on crystallographic inversion centers, which coincide with the centroids of the respective benzene rings. In the cation, the imidazole ring adopts an envelop conformation with the flap atom displaced by 0.082 (3) Å from the plane through the other ring atoms. In the crystal, the cations and anions are linked through inter­molecular N—H⋯O hydrogen bonds, forming chains running along the a axis. C—H⋯O inter­actions also occur. Weak π–π contacts between the imidazole rings of bib and between the benzene rings of NB [centroid–centroid distances = 3.501 (1) and 3.281 (2) Å, respectively] may further stabilize the structure

Creating hospital-specific customized clinical pathways by applying semantic reasoning to clinical data

AbstractObjectiveClinical pathways (CPs) are widely studied methods to standardize clinical intervention and improve medical quality. However, standard care plans defined in current CPs are too general to execute in a practical healthcare environment. The purpose of this study was to create hospital-specific personalized CPs by explicitly expressing and replenishing the general knowledge of CPs by applying semantic analysis and reasoning to historical clinical data.MethodsA semantic data model was constructed to semantically store clinical data. After querying semantic clinical data, treatment procedures were extracted. Four properties were self-defined for local ontology construction and semantic transformation, and three Jena rules were proposed to achieve error correction and pathway order recognition. Semantic reasoning was utilized to establish the relationship between data orders and pathway orders.ResultsA clinical pathway for deviated nasal septum was used as an example to illustrate how to combine standard care plans and practical treatment procedures. A group of 224 patients with 11,473 orders was transformed to a semantic data model, which was stored in RDF format. Long term order processing and error correction made the treatment procedures more consistent with clinical practice. The percentage of each pathway order with different probabilities was calculated to declare the commonality between the standard care plans and practical treatment procedures. Detailed treatment procedures with pathway orders, deduced pathway orders, and orders with probability greater than 80% were provided to efficiently customize the CPs.ConclusionsThis study contributes to the practical application of pathway specifications recommended by the Ministry of Health of China and provides a generic framework for the hospital-specific customization of standard care plans defined by CPs or clinical guidelines

Polyketides from the Halotolerant Fungus Myrothecium sp. GS-17

Two new polyketides, myrothecol (1) and 5-hydroxy-3-methyl-4-(1- hydroxylethyl)-furan-2(5H)-one (2), were isolated from the fermentation broth of the halotolerant fungus Myrothecium sp. GS-17 along with three known compounds, 5-hydroxyl-3-[(1S)-1-hydroxyethyl]-4-methylfuran-2(5H)-one (3), 3,5-dimethyl-4- hydroxylmethyl-5-methoxyfuran-2(5H)-one (4), and 3,5-dimethyl-4-hydroxymethyl-5- hydroxyfuran-2(5H)-one (5). Compound 1 is the first natural occurring polyketide with a unique furylisobenzofuran skeleton. The structures of these compounds were established via extensive spectroscopic analyses including 1D-, 2D-NMR, HRESI-MS, and crystal X-ray diffraction analysis