Qualitative analysis of aromatic compounds via 1D TOCSY techniques

The aromatic compounds,including o-xylene,m-xylene,p-xylene,and ethylbenzene,primarily originate from the catalytic reforming of crude oil,and have a wide variety of applications.However,because of similar physical and chemical properties,these compounds are difficult to be identified by gas chromatography(GC)without standard samples.With the development of modern nuclear magnetic resonance(NMR)techniques,NMR has emerged as a powerful and efficient tool for the rapid analysis of complex and crude mixtures without purification.In this study,the parameters of one-dimensional(1D)total correlation spectroscopy(TOCSY)NMR techniques,including 1D selective gradient TOCSY and 1D chemicalshift-selective filtration(CSSF)with TOCSY,were optimized to obtain comprehensive molecular structure information.The results indicate that the overlapped signals in NMR spectra of nonpolar aromatic compounds(including o-xylene,m-xylene,p-xylene and ethylbenzene),polar aromatic compounds(benzyl alcohol,benzaldehyde,benzoic acid),and aromatic compounds with additional conjugated bonds(styrene)can be resolved in 1D TOCSY.More importantly,full molecular structures can be clearly distinguished by setting appropriate mixing time in 1D TOCSY.This approach simplifies the NMR spectra,provides structural information of entire molecules,and can be applied for the analysis of other structural isomers.

Change of choline compounds in sodium selenite-induced apoptosis of rats used as quantitative analysis by in vitro 9.4T MR spectroscopy

AIM: To study liver cell apoptosis caused by the toxicity of selenium and observe the alteration of choline compounds using in vitro 9.4T high resolution magnetic resonance spectroscopy. METHODS: Twenty male Wistar rats were randomly divided into two groups. The rats in the treatment group were intraperitoneally injected with sodium selenite and the control group with distilled water. All rats were sacrifi ced and the livers were dissected. 1H-MRS data were collected using in vitro 9.4T high resolution magnetic resonance spectrometer. Spectra were processed using XWINNMR and MestRe-c 4.3. HE and TUNEL staining was employed to detect and confi rm the change of liver cells. RESULTS: Good 1H-MR spectra of perchloric acid extract from liver tissue of rats were obtained. The conventional metabolites were detected and assigned. Concentrations of different ingredient choline compounds in treatment group vs control group were as follows: total choline compounds,5.08 ± 0.97 mmol/L vs 3.81 ± 1.16 mmol/L (P = 0.05); and free choline,1.07 ± 0.23 mmol/L vs 0.65 ± 0.20 mmol/L (P = 0.00). However,there was no statistical signif icance between the two groups. The hepatic sinus and cellular structure of hepatic cells in treatmentgroup were abnormal. Apoptosis of hepatic cells was confi rmed by TUNEL assay. CONCLUSION: High dose selenium compounds can cause the rat liver lesion and induce cell apoptosis in vivo. High resolution 1H-MRS in vitro can detect diversified metabolism. The changing trend for different ingredient of choline compounds is not completely the same at early period of apoptosis.

Iron Fertilization with Enhanced Phytoplankton Productivity under Minimal Sulfur Compounds and Grazing Control Analysis in HNLC Region

The present study investigated quantitatively the significance of HNLC (high-nutrient low-chlorophyll) regions and its grazing control with the improved iron fertilization for climate change. The limitation of iron (Fe) for phytoplankton growth in HNLC regions was confirmed by sulfur compounds (S) such as volcanic ash and hydrogen sulfide (H2S) in batch cultures, whose chemical sediment of Fe3S4 showed 4.06 wt%. The technologies developed for iron fertilization since 1993 till now were not practical to provide sufficient amounts of bioavailable iron due to sedimentary iron sulfides induced by undersea volcanic sulfur compounds. The proposed technology for iron fertilization was improved to enhance the bioavailable iron to phytoplankton by keeping minimal sulfur compounds in HNLC regions. The low productivity of phytoplankton by grazing control in HNLC regions was 6% diatoms whose 52% was grazed by copepods and 42% by krill on the basis of data analysis in 2000 EisenEx Experiment at boundary of Antarctic and African tectonic plates. All of the previous iron fertilization experiments were conducted at volcanic sulfur compounds enriched HNLC regions. The present study revealed that the enhanced phytoplankton productivity in batch culture without sedimentary iron sulfides can be possible only if sulfur compounds are minimal, as is in Shag Rocks (53°S, 42°W) of South Georgia in Scotia Sea in the Southern Ocean.

The Generation of a Reduced Mechanism for Flame Inhibition by Phosphorus Containing Compounds Based on Path Flux Analysis Method

In order to analyze the complex chemical kinetic mechanism systematically and find out the redundant species and reactions, a numerical platform for mechanism analysis and simplification is established basing on Path Flux Analysis （PFA）. It is used to reduce a detailed mechanism for flame inhibited by phosphorus containing compounds, a reduced mechanism with 65 species and 335 reactions is obtained. The detailed and reduced mechanism are both used to calculate the freely-propagating premix C3H8/air flame with different dimethyl methylphosphonate doped over a wide range of equivalence ratios. The concentration distributions of free radicals and major species are compared, and the results under two different mechanisms agree well. The laminar flame speed obtained by the two mechanisms also matches well, with the maximum relative error introduces as a small value of 1.7%. On the basis of the reduced mechanism validation, the correlativity analysis is conducted between flame speed and flee radical concentrations, which can provide information for target species selection in the further mechanism reduction. By analyzing the species and reactions fluxes, the species and reaction paths which contribute the flame inhibition significantly are determined.

Study on the Characteristic Organic Compounds in Red Tide by Factor Analysis Method

Factor analysis is used to study the organic compounds that have high degree of correlation with biomass in algal blooming. Based on this correlation, they are named characteristic organic compounds. The compounds found are sequalene (SQU), cedrol (CED), 2, 5-cyclohexadiene-1, 4-dione, 2, 6-bis(1, 1-dimthylethyl ) (PBQ), phenol, 2, 6-bis (1, 1-dimethylethy-4-methyl) (BHT), 3-t-butyl-4- hydroxyanisole ( BHA ), 1, 2-benzenedicarboxylie acid, bis-( 2-methyl propyl ) ester (DIBP), dibutyl phthalate (DNBP), respectively. Monitoring the variations of concentration of these characteristic organic compounds in seawater may provide scientific basis for studying and forecasting red tides.

Modern approaches for detection of volatile organic compounds in metabolic studies focusing on pathogenic bacteria:Current state of the art

Pathogenic microorganisms produce numerous metabolites,including volatile organic compounds(VOCs).Monitoring these metabolites in biological matrices(e.g.,urine,blood,or breath)can reveal the presence of specific microorganisms,enabling the early diagnosis of infections and the timely implementation of tar-geted therapy.However,complex matrices only contain trace levels of VOCs,and their constituent com-ponents can hinder determination of these compounds.Therefore,modern analytical techniques enabling the non-invasive identification and precise quantification of microbial VOCs are needed.In this paper,we discuss bacterial VOC analysis under in vitro conditions,in animal models and disease diagnosis in humans,including techniques for offline and online analysis in clinical settings.We also consider the advantages and limitations of novel microextraction techniques used to prepare biological samples for VOC analysis,in addition to reviewing current clinical studies on bacterial volatilomes that address inter-species in-teractions,the kinetics of VOC metabolism,and species-and drug-resistance specificity.

STRESS ANALYSIS OF CANNED HOT FORGING SPECIMEN OF TiAl INTERMETALLIC COMPOUND

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Efficient thermal analysis method for large scale compound semiconductor integrated circuits based on heterojunction bipolar transistor

In this paper, an efficient thermal analysis method is presented for large scale compound semiconductor integrated circuits based on a heterojunction bipolar transistor with considering the change of thermal conductivity with temperature.The influence caused by the thermal conductivity can be equivalent to the increment of the local temperature surrounding the individual device. The junction temperature for each device can be efficiently calculated by the combination of the semianalytic temperature distribution function and the iteration of local temperature with high accuracy, providing a temperature distribution for a full chip. Applying this method to the InP frequency divider chip and the GaAs analog to digital converter chip, the computational results well agree with the results from the simulator COMSOL and the infrared thermal imager respectively. The proposed method can also be applied to thermal analysis in various kinds of semiconductor integrated circuits.

GP‐FMLNet:A feature matrix learning network enhanced by glyph and phonetic information for Chinese sentiment analysis

Sentiment analysis is a fine‐grained analysis task that aims to identify the sentiment polarity of a specified sentence.Existing methods in Chinese sentiment analysis tasks only consider sentiment features from a single pole and scale and thus cannot fully exploit and utilise sentiment feature information,making their performance less than ideal.To resolve the problem,the authors propose a new method,GP‐FMLNet,that integrates both glyph and phonetic information and design a novel feature matrix learning process for phonetic features with which to model words that have the same pinyin information but different glyph information.Our method solves the problem of misspelling words influencing sentiment polarity prediction results.Specifically,the authors iteratively mine character,glyph,and pinyin features from the input comments sentences.Then,the authors use soft attention and matrix compound modules to model the phonetic features,which empowers their model to keep on zeroing in on the dynamic‐setting words in various positions and to dispense with the impacts of the deceptive‐setting ones.Ex-periments on six public datasets prove that the proposed model fully utilises the glyph and phonetic information and improves on the performance of existing Chinese senti-ment analysis algorithms.

In silico prospective analysis of the medicinal plants activity on the CagA oncoprotein from Helicobacter pylori

BACKGROUND Colonization with Helicobacter pylori(H.pylori)has a strong correlation with gastric cancer,and the virulence factor CagA is implicated in carcinogenesis.Studies have been conducted using medicinal plants with the aim of eliminating the pathogen;however,the possibility of blocking H.pylori-induced cell differentiation to prevent the onset and/or progression of tumors has not been addressed.This type of study is expensive and time-consuming,requiring in vitro and/or in vivo tests,which can be solved using bioinformatics.Therefore,prospective computational analyses were conducted to assess the feasibility of interaction between phenolic compounds from medicinal plants and the CagA oncoprotein.AIM To perform a computational prospecting of the interactions between phenolic compounds from medicinal plants and the CagA oncoprotein of H.pylori.METHODS In this in silico study,the structures of the phenolic compounds(ligands)kaempferol,myricetin,quercetin,ponciretin(flavonoids),and chlorogenic acid(phenolic acid)were selected from the PubChem database.These phenolic compounds were chosen based on previous studies that suggested medicinal plants as non-drug treatments to eliminate H.pylori infection.The three-dimensional structure model of the CagA oncoprotein of H.pylori(receptor)was obtained through molecular modeling using computational tools from the I-Tasser platform,employing the threading methodology.The primary sequence of CagA was sourced from GenBank(BAK52797.1).A screening was conducted to identify binding sites in the structure of the CagA oncoprotein that could potentially interact with the ligands,utilizing the GRaSP online platform.Both the ligands and receptor were prepared for molecular docking using AutoDock Tools 4(ADT)software,and the simulations were carried out using a combination of ADT and AutoDock Vina v.1.2.0 software.Two sets of simulations were performed:One involving the central region of CagA with phenolic compounds,and another involving the carboxy-terminus region of CagA with phenolic compounds.The receptor-ligand complexes were then analyzed using PyMol and BIOVIA Discovery Studio software.RESULTS The structure model obtained for the CagA oncoprotein exhibited high quality(C-score=0.09)and was validated using parameters from the MolProbity platform.The GRaSP online platform identified 24 residues(phenylalanine and leucine)as potential binding sites on the CagA oncoprotein.Molecular docking simulations were conducted with the three-dimensional model of the CagA oncoprotein.No complexes were observed in the simulations between the carboxy-terminus region of CagA and the phenolic compounds;however,all phenolic compounds interacted with the central region of the oncoprotein.Phenolic compounds and CagA exhibited significant affinity energy(-7.9 to-9.1 kcal/mol):CagA/kaempferol formed 28 chemical bonds,CagA/myricetin formed 18 chemical bonds,CagA/quercetin formed 16 chemical bonds,CagA/ponciretin formed 13 chemical bonds,and CagA/chlorogenic acid formed 17 chemical bonds.Although none of the phenolic compounds directly bound to the amino acid residues of the K-Xn-R-X-R membrane binding motif,all of them bound to residues,mostly positively or negatively charged,located near this region.CONCLUSION In silico,the tested phenolic compounds formed stable complexes with CagA.Therefore,they could be tested in vitro and/or in vivo to validate the findings,and to assess interference in CagA/cellular target interactions and in the oncogenic differentiation of gastric cells.

<i>In Silico</i>Pharmacological Analysis of a Potent Anti-Hepatoma Compound of Mushroom Origin and Emerging Role as an Adjuvant Drug Lead

Mushrooms are well-known to possess a continuum of anticancer metabolites that are vital in the development of anticancer adjuvant drug leads based on natural products. Owing to the fact that conventional cancer therapeutic methods were failed to lessen mortality caused by cancer to the estimated level with occurrence of adverse side effects, anticancer agents isolated from natural mushroom sources unarguably make an experimental research area worth mass focus today. The current study was targeted on in vitro cytotoxicity and in silico predictive pharmacological analysis of a flavonoid compound isolated from Fulvifomes fastuosus mushroom. Targeted compound was isolated from the mushroom using different chromatographic methods and identified by NMR spectrometry and mass spectrometry. Cytotoxicity experiments were carried out using MTT assay and apoptotic cells were identified by ethidium bromide/acridine orange staining. The SwissADME tool, BOILED-Egg construction model and Swiss target protein prediction software have been used to perform in silico predictive pharmacological analysis. The isolated compound has been identified as 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5'-methylspiro[2H-furo[3,2-c]pyran-3,2'-furan]-3',4-dione by spectrometric methods. The result of MTT assay showed that 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5'-methylspiro[2H-furo[3,2-c]pyran-3,2'-furan]-3',4-dione has potent anticancer activity for hepatoma against Hep-G2 cell line (IC50 = 20.8 μg/ml) being less toxic to normal CC-1 epithelial cells (IC50 = 167.00 μM). The cells treated with compound ex-hibited apoptotic features such as cellular shrinkage, nuclear fragmentation and condensed cytoplasm. In summary, 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5'-methylspiro[2H-furo[3,2-c]pyran-3,2'-furan]-3',4-dione has shown potent anticancer properties against hepatoma with less cytotoxicity effect on normal cells. Furthermore, in silico study has revealed that properties of 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5'-methylspiro[2H-furo[3,2-c]pyran-3,2'-furan]-3',4-dione may contribute to making a high absorption and clearance of the test compound as not interfering with the therapeutic failure of the compound. The properties of 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5'-methylspiro[2H-furo-[3,2-c]pyran-3,2'-furan]-3',4-dione were compatible with well-known anticancer drug lapatinib. In conclusion, 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5'-methylspiro[2H-furo[3,2-c]pyran-3,2'-furan]-3',4-dione has a high tendency to act as a good anticancer adjuvant drug in the treatment of hepatoma.

Semi-quantitative analysis on the content of berberine hydrochloride in compound berberine tablets with the fluorescence spectral imaging method

The content of berberine hydrochloride(BH)in compound berberine tablets(CBTs)is subject to strict requirements.Its content is usually measured based on chemical analysis.In this paper,the fluorescence spectral imaging method was used to study the relative content of BH from a physics perspective.By comparing the relative fluorescence intensity of self-made CBTs with di®erent mass percentages of BH,a linear positive relationship was observed between the BH content and the relative fluorescence intensity,and accordingly the quality of CBTs of different brands was evaluated.The results indicate that the fluorescence spectral imaging method can be a simple,fast and nondestructive semi-quantitative analysis method to determine the content of BH in CBTs,and this method has great potential in the quality control of CBTs.

Meta analysis and medication analysis of TCM compound in the treatment of senile osteoporosis

Objective:Tsystematic evaluation and Meta analysis were used to evaluate the effectiveness of TCM compound in the treatment of senile osteoporosis and to analyze the regularity of its medication.Methods:Electronic retrieval of CNKI,Wangfang Data,VIP,CBM,PubMed,Embase,Cochrane Library and other databases was conducted to include the clinical randomized controlled trial(RCT)of TCM compound as intervention measures for the treatment of senile osteoporosis as the study object.The retrieval time was set up until October 2019.The two researchers independently screened the literature according to inclusion criteria,extracted the data,and evaluated the quality of the included studies using Cochrane 5.1.0 bias risk assessment tool,and then used RevMan5.3 software for data analysis.Results:a total of 19 RCT literatures were included in the experimental group.In the control group,844 patients were treated with calcium or non-calcium.Meta analysis showed that total effective rate(RR=1.30,95%ci:1.19-1.43,P<0.05),lumbar vertebral bone density(MD=0.02,95%ci:0.01-0.04,P<0.05),femoral neck bone density(MD=0.01,95%ci:0.00~0.02,P<0.05),VAS score(MD=-1.04,95%ci:-1.67~0.40,P<0.05),BMC value(MD=0.06,95%ci:0.01~0.11,P=0.03),radial bone density(MD=0.04,95%ci:0.03~0.05,P<0.05),TCM syndrome score(MD=-6.76,95%ci:-7.94^-5.59,P<0.05),and TCM syndrome efficacy rate(RR=1.49,95%ci:1.28~1.73,P<0.05)were all statistically significant.ALP(MD=4.72,95%ci:-6~15.44,P=0.39),estradiol(MD=10.45,95%ci:-1.75~22.64,P=0.09),root bone index(MD=0.01,95%ci:-0.17~0.18,P=0.95),other bone mineral density(MD=0.11,95%ci:-0.01~0.22,P=0.06),urinary calcium/urinary creatinine(MD=-0.09,95%ci:There was no significant difference in serum calcium(MD=-0.01,95%ci:-0.11~0.09,P=0.83),serum phosphorus(MD=0.03,95%ci:-0.01~0.07,P=0.09).Among the Chinese herbal compounds used,astragalus is the most frequently used tonic.Conclusion:traditional Chinese medicine compound is effective in treating senile osteoporosis,and it is mainly used as tonic.

Quantitative Analysis of Anti-hypertensive Compound Formulations by Capillary Zone Electropboresis

Two capillary electrophoresis methods were developed for the determination of the active constituents in four anti-hrpertensive formulations.These active constituents are nitrendipine and atenolol in Tabellae Nile, and hydrochlorothiazide, amiloride hydrochloride, captopril, and enalapril maleate in three other tablet formulations,respectively. The internal standard method was employed for quantitation with RSD between 1 .2~4.3%, recoveries ranging from 93. 1 ~ 101 .0%.

Meta-analysis and Trial Sequential Analysis of Compound Qingdai Capsule in the Treatment of Psoriasis

[Objectives]To analyze the efficacy of Compound Qingdai Capsule in the treatment of psoriasis and conduct a systematic evaluation.[Methods]The clinical total effective rate,PASI index score,IL-17 level,IL-23 level,TNF-level,and adverse reactions were analyzed.TSA 0.9 software was used to conduct sequential analysis of the total effective rate,and subgroup analysis was performed according to the average age of the experimental group.[Results]Single application of Compound Qingdai Capsule or in combination with other methods in the treatment of psoriasis was superior to non-Compound Qingdai Capsule group,and the side effects were less than non-Compound Qingdai Capsule group;the n≥40 year-old group had certain heterogeneity,suggesting that the difference was statistically significant,and the effective rate was higher than that of the control group.The funnel plot showed that the graph was asymmetrical,and there may be publication bias or the possibility of low-quality literature.The TSA results indicated that the actual sample size was far lower than the expected sample size,and the cumulative Z value did not reach the TSA cut-off value and more trials need to be included to confirm the efficacy.[Conclusions]Compound Qingdai Capsule has a clear curative effect on psoriasis,and its safety is high.This study can provide relevant evidence for the effectiveness of Chinese patent drugs(CPD)in treating psoriasis.

Analysis of novel coronavirus pneumonia treatment with Chinese herbal compound

Objective: To analyze the prescription law of TCM compound in the treatment of new coronavirus pneumonia, and provides reference for the clinical treatment of new coronavirus pneumonia. Methods: Collected Collected 24 novel coronavirus pneumonia related diagnostic and therapeutic plans issued by the National Health Council and the Chinese medicine authority from January 26, 2020 to March 8th ,the filtered solution involved in the formula, establishing database of traditional Chinese medicine compound prescription for the treatment of new crown pneumonia, the frequency of using frequency analysis methods of analysis and clustering analysis and association rules analysis to sort out data mining analysis of traditional Chinese medicine compound. Results: In this study, a total of 159 TCM compounds were included in the treatment of new crown pneumonia from the country and 23 provinces, municipalities and autonomous regions, involving 189 TCM compounds. A total of 62 high-frequency traditional Chinese medicines (frequency ≥ 11) were obtained, mainly including licorice, almond, ephedra, gypsum, Poria cocos, Huoxiang, etc The drug types are mainly heat-clearing drugs, vacuous drugs, moisture-curing drugs, and surfactant drugs. The main effect of the medicine was warm, cold, lukewarm and flat, the main effect of the medicine was bitter and bitter, and the main effect of the medicine was the lung, stomach and spleen. Cluster analysis results according to the performance of traditional Chinese medicine treatment of new crown pneumonia high frequency drugs into 7 classes;Association rule analysis results in 29 common drug pairs. Conclusion: In the treatment of pneumonia caused by new coronavirus infection with traditional Chinese medicine, the following characteristics are presented: the number of times of supplementing qi and Yin is more than that of attacking evil and maintaining health;The method of dispersing and solving the attack of wet, beneficial, wet, permeable and wet medicine fully embodies a variety of ways to drive away evil;In terms of drugs, heat-clearing drugs, deficiency drugs, dampness drugs and surface drugs are the main ones, highlighting that the basic treatment method is to dissolve dampness and detoxify, and replenish qi and Yin. In summary, this study can provide reference for guiding clinical drug use and developing new drugs.

Analyzing the Flavor Compounds in Chinese Traditional Fermented Shrimp Pastes by HS-SPME-GC/MS and Electronic Nose

Shrimp paste is a type of condiments with high nutritional value.However,the flavors of shrimp paste,particularly the non-uniformity flavors,have limited its application in food processing.In order to identify the characteristic flavor compounds in Chinese traditional shrimp pastes,five kinds of typical commercial products were evaluated in this study.The differences in the volatile composition of the five products were investigated.Solid phase micro-extraction method was employed to extract the volatile compounds.GC-MS and electronic nose were applied to identify the compounds,and the data were analyzed using principal component analysis(PCA).A total of 62 volatile compounds were identified,including 8 alcohols,7 aldehydes,3 ketones,7 ethers,7 acids,3 esters,6 hydrocarbons,12 pyrazines,2 phenols,and 7 other compounds.The typical volatile compounds contributing to the flavor of shrimp paste were found as follows:dimethyl disulfide,dimethyl tetrasulfide,dimethyl trisulfide,2,3,5-trimethyl-6-ethyl pyrazine,ethyl-2,5-dimethyl-pyrazine,phenol and indole.Propanoic acid,butanoic acid,furans,and 2-hydroxy-3-pentanone caused unpleasant odors,such as pungent and rancid odors.Principal component analysis showed that the content of volatile compounds varied depending on the processing conditions and shrimp species.These results indicated that the combinations of multiple analysis and identification methods could make up the limitations of a single method,enhance the accuracy of identification,and provide useful information for sensory research and product development.

Effect of the Inclusion of Chestnut in the Finishing Diet on Volatile Compounds of Dry-Cured Ham from Celta Pig Breed

The effect of the inclusion of chestnut in pigs ifnishing diet on volatile compounds of dry-cured Celta ham was studied. Twelve hams of each type （from three different pigs ifnishing diets：concentrate （CO）, mixed （MI） and chestnut （CH）） were used. Volatiles were extracted using a purge-and-trap method and analyzed by gas chromatography/mass spectrometry （GC/MS）. Thirty-nine volatile compounds were identified in dry-cured Celta ham samples. Most abundant volatiles in ham samples were aldehydes, which represented respectively, 53% （CO）, 51% （MI） and 46% （CH） of the total volatile composition. With the exception of 2-butenal, 2-methyl, all aldehydes were affected by feeding system. On the other hand, hydrocarbons n-alkanes were the second major group in the volatile proifle of dry-cured Celta hams and represented 28.9, 35.7 and 32.4%of the total volatile composition for CO, MI and CH groups, respectively. Ham samples from chestnut group showed a higher content of alcohols and this result could be related with the inclusion of chestnut in the ifnishing diet of pigs. Principal component analysis showed a good separation among groups. The discriminant analysis selected eight variables （butanoic acid, hexanal, octanal, nonenal （E）, decenal （E）, tetradecane, decane trimethyl and pyridine 2-methyl） and calculated two discriminating functions to predict if chestnut has been included in the ifnishing diet. Thus, it was possible to discriminate between groups fed with ifnishing diets containing chestnuts in their composition （mixed and chestnut group）.

The Benefit Risk Assessment of Consumption of Marine Species Based on Benefit-Risk Analysis for Foods(BRAFO)-tiered Approach

Objective To assess the net health effect caused by the consumption of specific marine species based on Benefit-Risk Analysis for Foods （BRAFO）-tiered approach. Methods Twenty species were collected from the Zhoushan Archipelago, China. Concentrations of n-3 long-chain polyunsaturated fatty acids, methyl mercury （MeHg）, and dioxin-like compounds （DLCs） in the samples were analyzed for benefit risk assessment based on BRAFO-tiered approach. Results Based on the BRAFO-tiered approach, reference scenario （no intake） and alternative scenario （intake of specific species of 200 g/week） were determined. The exposure to MeHg/DLCs via alternative scenario of all studied species did not exceed provisional tolerable weekly/monthly intake. However, the adult population with high DLCs exposure in China would significantly exceed the upper limit of DLCs via an additional alternative scenario of some species such as Auxis thazard. The results of deterministic computation showed that alternative scenario of all studied species generated clear net beneficial effects on death prevention and child IQ gain. Conclusion The alternative scenario of all studied species could be recommended to population with average DLCs exposure, and the reference scenario of species with relatively high DLCs concentration could be recommended to population exposed to high DLCs.

Changes of microbial community structures and functional genes during biodegradation of phenolic compounds under high salt condition

The changes of microbial community structures and functional genes during the biodegradation of single phenol and phenol plus p-cresol under high salt condition were explored.It was found that the phenol-fed system（PFS） exhibited stronger degrading abilities and more stable biomass than that of the phenol plus p-cresol-fed system（PCFS）.The microbial community structures were revealed by a modern DNA fingerprint technique,ribosomal intergenic spacer analysis（RISA）.The results indicated that the microbial community of PFS changed obviously when gradually increased phenol concentration,while PCFS showed a little change.16S rRNA sequence analysis of the major bands showed that Alcanivorax sp.genus was predominant species during phenolic compounds degradation.Furthermore,amplified functional DNA restriction analysis（AFDRA） on phenol hydroxylase genes showed that the fingerprints were substantially different in the two systems,and the fingerprints were not the same during the different operational periods.