Naphthenic acids,NAs,are a major contaminant of concern and a focus of much research around remediation of oil sand process affected waters,OSPW.Using activated carbon adsorbents are an attractive option given their l...Naphthenic acids,NAs,are a major contaminant of concern and a focus of much research around remediation of oil sand process affected waters,OSPW.Using activated carbon adsorbents are an attractive option given their low cost of fabrication and implementation.A deeper evaluation of the effect NA structural differences have on uptake affinity is warranted.Here we provide an in-depth exploration of NA adsorption including many more model NA species than have been assessed previously with evaluation of adsorption kinetics and isotherms at the relevant alkaline pH of OSPW using several different carbon adsorbents with pH buffering to simulate the behaviour of real OSPW.Uptake for the NA varied considerably regardless of the activated carbon used,ranging from 350 mg/g to near zero highlighting recalcitrant NAs.The equilibrium data was explored to identify structural features of these species and key physiochemical properties that influence adsorption.We found that certainNAwill be resistant to adsorptionwhen hydrophobic adsorbents are used.Adsorption isotherm modelling helped explore interactions occurring at the interface between NA and adsorbent surfaces.We identified the importance of NA hydrophobicity for activated carbon uptake.Evidence is also presented that indicates favorable hydrogen bonding between certain NA and surface site hydroxyl groups,demonstrating the importance of adsorbent surface functionality for NA uptake.This research highlights the challenges associated with removing NAs from OSPW through adsorption and also identifies howadsorbent surface chemistry modification can be used to increase the removal efficiency of recalcitrant NA species.展开更多
In this work,the effects of degradation time,temperature,and pH value on the degradation of Salvianolic acid B in aqueous solution were determined.Higher pH values,higher extraction temperature,and longer extraction t...In this work,the effects of degradation time,temperature,and pH value on the degradation of Salvianolic acid B in aqueous solution were determined.Higher pH values,higher extraction temperature,and longer extraction time led to more degradation of Salvianolic acid B.Danshensu concentration increased as Salvianolic acid B degraded.A mechanism model was developed considering the degradation of Salvianolic acid E and lithospermic acid,which were two degradation products of Salvianolic acid B.The reverse reactions of Salvianolic acid B degradation were also considered.Degradation kinetic constants were calibrated.The degradation kinetics of Salvianolic acid B,lithospermic acid,and Danshensu in a Salvia miltiorrhiza extract aqueous solution were predicted using the mechanism model.The predicted concentrations agreed well with the experimental results.This model was developed using degradation data obtained from simple composition systems,but it can be applied in a complex botanical mixture with high prediction accuracy.展开更多
In this paper, a new hybrid model of amino acid substitution is developed and compared with the others in previous works. The results show that the new hybrid model can characterize the protein sequences very well by ...In this paper, a new hybrid model of amino acid substitution is developed and compared with the others in previous works. The results show that the new hybrid model can characterize the protein sequences very well by calculating Fisher weights, which can denote how much the variants contribute to the classification.展开更多
OBJECTIVE:Ningdong granule is a traditional Chinese medicine preparation for the treatment of Tourette's syndrome.METHODS:Sixty-four rats were randomly assigned to a control group and three experimental groups,res...OBJECTIVE:Ningdong granule is a traditional Chinese medicine preparation for the treatment of Tourette's syndrome.METHODS:Sixty-four rats were randomly assigned to a control group and three experimental groups,respectively.Rat models of Tourette's syndrome were established via intraperitoneal injection of apomorphine(Apo).The rats in the experimental groups were subsequently intragastrically injected with haloperidol at 10 mg/kg(haloperidol group),Ningdong granule at 370 mg/kg(NDG group),and normal saline(0.9%) at 10 mL/kg(Apo group),respectively.Rat behaviors were observed and recorded on a daily basis.After 12 w,all rats were sacrificed,and sera and striatal tissues were harvested.Homovanillic acid levels in sera,as well as dopamine and dopamine D2 receptor mRNA expression in the striatum,were measured to determine possible mechanisms of Ningdong granule on the dopamine system in a rat model of Tourette's syndrome.RESULTS:Following intervention,stereotype actions of the Tourette's syndrome rats were significantly inhibited in the haloperidol and NDG groups,respectively(P<0.01).Homovanillic levels were significantly greater in the haloperidol and NDG groups,respectively(P<0.05).In addition,dopamine levels were significantly less in the NDG group(P<0.01),and DRD2 mRNA expression was significantly reduced in the haloperidol and NDG groups,respectively(P<0.05).CONCLUSION:Results demonstrated that Ningdong granule effectively inhibited stereotype actions and Tourette's syndrome symptoms by promoting dopamine metabolism,reducing dopamine levels in the striatum,increasing homovanillic acid content in sera,and reducing mRNA expression of DRD2 in the striatum.展开更多
The utilization of liquid–liquid extraction for the separation of 2-phenylbutyric acid（2-PBA） enantiomers was proposed. Factors affecting the extract process were investigated, including organic solvents, β-cyclod...The utilization of liquid–liquid extraction for the separation of 2-phenylbutyric acid（2-PBA） enantiomers was proposed. Factors affecting the extract process were investigated, including organic solvents, β-cyclodextrin derivatives, cyclodextrin concentration, p H and temperature. A model was proposed to describe the separation process based on the homogeneous phase reaction mechanism. Important parameters of this model were determined experimentally. The physical distribution coefficients for molecular and ionic 2-PBA were0.129 and 7.455, respectively. The equilibrium constants of the complexation reactions were 89.36 and36.78 L·mol^-1 for（＋）-and（-）-2-PBA, respectively. The model was verified by experiments and proved to be an excellent means to optimize the separation system. Through modeling prediction and experiment, the best conditions（e.g., pH value of 3.00, extractant concentration of 0.1 mol·L^-1, temperature of 5.0 ℃） were acquired. Under this condition, the maximum enantioselectivity（2.096） was obtained.展开更多
Different fused-core stationary phase chemistries（C18,Amide,Phenyl-hexyl and Peptide ES-C18） were used for the analysis of 21 structurally representative model peptides.In addition,the effects of the mobile phase co...Different fused-core stationary phase chemistries（C18,Amide,Phenyl-hexyl and Peptide ES-C18） were used for the analysis of 21 structurally representative model peptides.In addition,the effects of the mobile phase composition（ACN or MeOH as organic modifier;formic acid or acetic acid,as acidifying component） on the column selectivity,peak shape and overall chromatographic performance were evaluated.The RP-amide column,combined with a formic acid-acetonitrile based gradient system,performed as best.A peptide reversed-phase retention model is proposed,consisting of 5 variables：log SumAA,log Sv,clog P,log nHDon and log nHAcc.Quantitative structure-retention relationship（QSRR） models were constructed for 16 different chromatographic systems.The accuracy of this peptide retention model was demonstrated by the comparison between predicted and experimentally obtained retention times,explaining on average 86% of the variability.Moreover,using an external set of 5 validation peptides,the predictive power of the model was also demonstrated.This peptide retention model includes the novel in-silico calculated amino acid descriptor,AA,which was calculated from log P,3D-MoRSE,RDF and WHIM descriptors.展开更多
The adsorb model of formic acid on NaX derived from TPD was discussed. It was showed that the adsorb sites were various exposed framework O2- centers bearing different basic intensity and spatial resistance. The h-pea...The adsorb model of formic acid on NaX derived from TPD was discussed. It was showed that the adsorb sites were various exposed framework O2- centers bearing different basic intensity and spatial resistance. The h-peak was attributed to O2- near S-III in supercage and l-peak to O2- near S-II in beta-cage of faujusite zeolite. The model can explain the experimental results. Meanwhile, a relative standard of basic intensity based on TPD of formic acid was founded.展开更多
Commercial grade weakly basic resin D301 was impregnated with iron through a simple method using ferric chloride. Experiments for single, bisolute and trinary competitive adsorption were carried out to investigate the...Commercial grade weakly basic resin D301 was impregnated with iron through a simple method using ferric chloride. Experiments for single, bisolute and trinary competitive adsorption were carried out to investigate the adsorption behavior of 2-naphthalenesulfonic acid(NSA), sulfuric acid and sulfurous acid from their solution at 298 K onto the novel hybrid iron impregnated D301(Fe-D301). Adsorption affinity of NSA on Fe-D301 was found to be much higher than that of sulfuric acid, while adsorption affinity of sulfuric acid was slightly higher than that of sulfurous acid. The data of single-solute adsorption were fitted to the Langmuir model and the Freundlich adsorption model. The non-ideal competitive adsorbed model coupled with the single-solute adsorption models were used to predict the bisolute and trinary-solute competitive adsorption equilibria. The NICM coupled with the Langmuir model yields the favorable representation of the bisolute and trinary-solute competitive adsorption behavior.展开更多
AIM:To evaluate the therapeutic effect of folic acid combined with decitabine on diabetic mice.METHODS:The diabetic model of db/db mice were randomly divided into model group,folic acid group,decitabine group,folic ac...AIM:To evaluate the therapeutic effect of folic acid combined with decitabine on diabetic mice.METHODS:The diabetic model of db/db mice were randomly divided into model group,folic acid group,decitabine group,folic acid combined with decitabine group,and C57 mice as normal control group.The density of retinal blood vessels and retinal thickness were detected by fundus photography and optical coherence tomography,respectively.Pathological changes of retina were observed by hematoxylin-eosin(HE)staining.The homocysteine(Hcy)in serum was detected by enzyme linked immunosorbent assay(ELISA).TdT-mediated dUTP nick-end labeling(TUNEL)was used to detect apoptosis in retinal tissue.Evans blue dye was used to detect the permeability of retinal blood vessels.The platelet endothelial cell adhesion molecule-1(CD31)and vascular endothelial growth factor receptor(VEGFR)protein were detected by Western blot.The 3-nitrotyrosine(3-NT)and 4-hydroxynonanine(4-HNE)were detected by immunohistochemistry.RESULTS:The density of retinal blood vessels,retinal thickness,retinal vascular permeability and the proportion of apoptotic cells of retinal tissue in the model group increased significantly than control group(P<0.05).The Hcy in serum and the levels of CD31,VEGFR,3-NT,and 4-HNE in retinal tissue increased significantly in the model group(P<0.01).Folic acid and decitabine both reversed these changes significantly,and the combination of the folic acid and decitabine worked best.CONCLUSION:The combination of folic acid and decitabine has a more significant protective effect on the retina in diabetic mice.展开更多
A new dry deposition velocity pattern (NDDVP) for the study of region-scale dry deposition processes is developed. The mean ratio between NDDVP and 1022 experimental data of dry deposi- tion velocity V_d is 1. 06±...A new dry deposition velocity pattern (NDDVP) for the study of region-scale dry deposition processes is developed. The mean ratio between NDDVP and 1022 experimental data of dry deposi- tion velocity V_d is 1. 06±0.82. The result shows that NDDVP is well consistent with experimental data. Practical cases are forecasted by the high resolution regional acid deposition model (EM3) with both NDDVP and old V_d pattern. The maximum ratio between the central concentrations for SO4 can reach 2.4 only due to different V_d patterns. 3-D distributions of species concentrations and dry depositions forecasted by NDDVP are better than those by the old V_d pattern.展开更多
It is helpful to go deep into understanding the acid rainfall through studying the relation of two centers between acid deposition and rainfall and the relation of intensity between them.We adopt a three-dimensional E...It is helpful to go deep into understanding the acid rainfall through studying the relation of two centers between acid deposition and rainfall and the relation of intensity between them.We adopt a three-dimensional Eulerian regional acid deposition model,or NCAR-RADM,to calculate regional chemical concentrations and dry and wet depositions of acids.The temporally and spatially varied meteorological field is provided by a mesoscale meteorological model,vertion 4.We calculate dry and wet depositions of acids in eight kinds of different rainfall distributions.The results show that the wet depositions of acids near pollutant source is very sensitive to rainfall intensity in initial stage.The distribution of acid wet deposition will tend to that of rainfall intensity when rainfall intensity is small in source.And it will tend to that of initial pollutant concentration when rainfall intensity is large in source.展开更多
Microcalorimetry was used to study the inhibitory or antibiotic action of six kinds of the model compounds of purple acid phosphatases on a strain of Aerobacter aerogenes . Difference in their capacities to inhibit...Microcalorimetry was used to study the inhibitory or antibiotic action of six kinds of the model compounds of purple acid phosphatases on a strain of Aerobacter aerogenes . Difference in their capacities to inhibit the metabolism of this bacterium was observed. The extent and duration of the inhibitory effect on the metabolism as judged from the growth rate constant, k , and the half inhibitory concentration, IC 50 , varied with the different drugs. The rate constant k of A. aerogenes (in the log phase) in the presence of the compounds decreased with the increasing of concentrations. The experimental results reveal that the order of the antibiotic activity of the compounds is: LD 1>LD 2>LD 3>XF 1>LD 4～LD 5.展开更多
文摘Naphthenic acids,NAs,are a major contaminant of concern and a focus of much research around remediation of oil sand process affected waters,OSPW.Using activated carbon adsorbents are an attractive option given their low cost of fabrication and implementation.A deeper evaluation of the effect NA structural differences have on uptake affinity is warranted.Here we provide an in-depth exploration of NA adsorption including many more model NA species than have been assessed previously with evaluation of adsorption kinetics and isotherms at the relevant alkaline pH of OSPW using several different carbon adsorbents with pH buffering to simulate the behaviour of real OSPW.Uptake for the NA varied considerably regardless of the activated carbon used,ranging from 350 mg/g to near zero highlighting recalcitrant NAs.The equilibrium data was explored to identify structural features of these species and key physiochemical properties that influence adsorption.We found that certainNAwill be resistant to adsorptionwhen hydrophobic adsorbents are used.Adsorption isotherm modelling helped explore interactions occurring at the interface between NA and adsorbent surfaces.We identified the importance of NA hydrophobicity for activated carbon uptake.Evidence is also presented that indicates favorable hydrogen bonding between certain NA and surface site hydroxyl groups,demonstrating the importance of adsorbent surface functionality for NA uptake.This research highlights the challenges associated with removing NAs from OSPW through adsorption and also identifies howadsorbent surface chemistry modification can be used to increase the removal efficiency of recalcitrant NA species.
基金Supported by the National Natural Science Foundation of China(No.81273992)the Public Service Technology Research and Social Development Project of Science Technology Department of Zhejiang Province of China(2015C33128)
文摘In this work,the effects of degradation time,temperature,and pH value on the degradation of Salvianolic acid B in aqueous solution were determined.Higher pH values,higher extraction temperature,and longer extraction time led to more degradation of Salvianolic acid B.Danshensu concentration increased as Salvianolic acid B degraded.A mechanism model was developed considering the degradation of Salvianolic acid E and lithospermic acid,which were two degradation products of Salvianolic acid B.The reverse reactions of Salvianolic acid B degradation were also considered.Degradation kinetic constants were calibrated.The degradation kinetics of Salvianolic acid B,lithospermic acid,and Danshensu in a Salvia miltiorrhiza extract aqueous solution were predicted using the mechanism model.The predicted concentrations agreed well with the experimental results.This model was developed using degradation data obtained from simple composition systems,but it can be applied in a complex botanical mixture with high prediction accuracy.
基金supported by the National Natural Science Foundation of China(No 29877016).
文摘In this paper, a new hybrid model of amino acid substitution is developed and compared with the others in previous works. The results show that the new hybrid model can characterize the protein sequences very well by calculating Fisher weights, which can denote how much the variants contribute to the classification.
基金supported by a grant from Binzhou Medical University (NO. BY2010KYQD13)
文摘OBJECTIVE:Ningdong granule is a traditional Chinese medicine preparation for the treatment of Tourette's syndrome.METHODS:Sixty-four rats were randomly assigned to a control group and three experimental groups,respectively.Rat models of Tourette's syndrome were established via intraperitoneal injection of apomorphine(Apo).The rats in the experimental groups were subsequently intragastrically injected with haloperidol at 10 mg/kg(haloperidol group),Ningdong granule at 370 mg/kg(NDG group),and normal saline(0.9%) at 10 mL/kg(Apo group),respectively.Rat behaviors were observed and recorded on a daily basis.After 12 w,all rats were sacrificed,and sera and striatal tissues were harvested.Homovanillic acid levels in sera,as well as dopamine and dopamine D2 receptor mRNA expression in the striatum,were measured to determine possible mechanisms of Ningdong granule on the dopamine system in a rat model of Tourette's syndrome.RESULTS:Following intervention,stereotype actions of the Tourette's syndrome rats were significantly inhibited in the haloperidol and NDG groups,respectively(P<0.01).Homovanillic levels were significantly greater in the haloperidol and NDG groups,respectively(P<0.05).In addition,dopamine levels were significantly less in the NDG group(P<0.01),and DRD2 mRNA expression was significantly reduced in the haloperidol and NDG groups,respectively(P<0.05).CONCLUSION:Results demonstrated that Ningdong granule effectively inhibited stereotype actions and Tourette's syndrome symptoms by promoting dopamine metabolism,reducing dopamine levels in the striatum,increasing homovanillic acid content in sera,and reducing mRNA expression of DRD2 in the striatum.
基金Supported by the National Basic Research Program of China(2014CB260407)
文摘The utilization of liquid–liquid extraction for the separation of 2-phenylbutyric acid（2-PBA） enantiomers was proposed. Factors affecting the extract process were investigated, including organic solvents, β-cyclodextrin derivatives, cyclodextrin concentration, p H and temperature. A model was proposed to describe the separation process based on the homogeneous phase reaction mechanism. Important parameters of this model were determined experimentally. The physical distribution coefficients for molecular and ionic 2-PBA were0.129 and 7.455, respectively. The equilibrium constants of the complexation reactions were 89.36 and36.78 L·mol^-1 for（＋）-and（-）-2-PBA, respectively. The model was verified by experiments and proved to be an excellent means to optimize the separation system. Through modeling prediction and experiment, the best conditions（e.g., pH value of 3.00, extractant concentration of 0.1 mol·L^-1, temperature of 5.0 ℃） were acquired. Under this condition, the maximum enantioselectivity（2.096） was obtained.
基金funded by a Ph.D.grant of "Institute for the Promotion of Innovation through Science and Technology in Flanders(IWT-Vlaanderen)"(No.091241 for MD and 073402 for SVD)the Special Research Fund of the Ghent University (Grant no.BOF 01J22510 for EW and BOF 01D38811 for SS)
文摘Different fused-core stationary phase chemistries（C18,Amide,Phenyl-hexyl and Peptide ES-C18） were used for the analysis of 21 structurally representative model peptides.In addition,the effects of the mobile phase composition（ACN or MeOH as organic modifier;formic acid or acetic acid,as acidifying component） on the column selectivity,peak shape and overall chromatographic performance were evaluated.The RP-amide column,combined with a formic acid-acetonitrile based gradient system,performed as best.A peptide reversed-phase retention model is proposed,consisting of 5 variables：log SumAA,log Sv,clog P,log nHDon and log nHAcc.Quantitative structure-retention relationship（QSRR） models were constructed for 16 different chromatographic systems.The accuracy of this peptide retention model was demonstrated by the comparison between predicted and experimentally obtained retention times,explaining on average 86% of the variability.Moreover,using an external set of 5 validation peptides,the predictive power of the model was also demonstrated.This peptide retention model includes the novel in-silico calculated amino acid descriptor,AA,which was calculated from log P,3D-MoRSE,RDF and WHIM descriptors.
文摘The adsorb model of formic acid on NaX derived from TPD was discussed. It was showed that the adsorb sites were various exposed framework O2- centers bearing different basic intensity and spatial resistance. The h-peak was attributed to O2- near S-III in supercage and l-peak to O2- near S-II in beta-cage of faujusite zeolite. The model can explain the experimental results. Meanwhile, a relative standard of basic intensity based on TPD of formic acid was founded.
基金Supported by the National Natural Science Foundation of China(No.21276027)the Higher Educational Science and Technology Program of Shandong Province,China(No.J14LC05)
文摘Commercial grade weakly basic resin D301 was impregnated with iron through a simple method using ferric chloride. Experiments for single, bisolute and trinary competitive adsorption were carried out to investigate the adsorption behavior of 2-naphthalenesulfonic acid(NSA), sulfuric acid and sulfurous acid from their solution at 298 K onto the novel hybrid iron impregnated D301(Fe-D301). Adsorption affinity of NSA on Fe-D301 was found to be much higher than that of sulfuric acid, while adsorption affinity of sulfuric acid was slightly higher than that of sulfurous acid. The data of single-solute adsorption were fitted to the Langmuir model and the Freundlich adsorption model. The non-ideal competitive adsorbed model coupled with the single-solute adsorption models were used to predict the bisolute and trinary-solute competitive adsorption equilibria. The NICM coupled with the Langmuir model yields the favorable representation of the bisolute and trinary-solute competitive adsorption behavior.
基金Supported by the Natural Science Foundation of Gansu Province(No.21JR7RA361).
文摘AIM:To evaluate the therapeutic effect of folic acid combined with decitabine on diabetic mice.METHODS:The diabetic model of db/db mice were randomly divided into model group,folic acid group,decitabine group,folic acid combined with decitabine group,and C57 mice as normal control group.The density of retinal blood vessels and retinal thickness were detected by fundus photography and optical coherence tomography,respectively.Pathological changes of retina were observed by hematoxylin-eosin(HE)staining.The homocysteine(Hcy)in serum was detected by enzyme linked immunosorbent assay(ELISA).TdT-mediated dUTP nick-end labeling(TUNEL)was used to detect apoptosis in retinal tissue.Evans blue dye was used to detect the permeability of retinal blood vessels.The platelet endothelial cell adhesion molecule-1(CD31)and vascular endothelial growth factor receptor(VEGFR)protein were detected by Western blot.The 3-nitrotyrosine(3-NT)and 4-hydroxynonanine(4-HNE)were detected by immunohistochemistry.RESULTS:The density of retinal blood vessels,retinal thickness,retinal vascular permeability and the proportion of apoptotic cells of retinal tissue in the model group increased significantly than control group(P<0.05).The Hcy in serum and the levels of CD31,VEGFR,3-NT,and 4-HNE in retinal tissue increased significantly in the model group(P<0.01).Folic acid and decitabine both reversed these changes significantly,and the combination of the folic acid and decitabine worked best.CONCLUSION:The combination of folic acid and decitabine has a more significant protective effect on the retina in diabetic mice.
基金The study is supported by the National Natural Science Foundation of China,LASG and LAPC in IAP, CAS
文摘A new dry deposition velocity pattern (NDDVP) for the study of region-scale dry deposition processes is developed. The mean ratio between NDDVP and 1022 experimental data of dry deposi- tion velocity V_d is 1. 06±0.82. The result shows that NDDVP is well consistent with experimental data. Practical cases are forecasted by the high resolution regional acid deposition model (EM3) with both NDDVP and old V_d pattern. The maximum ratio between the central concentrations for SO4 can reach 2.4 only due to different V_d patterns. 3-D distributions of species concentrations and dry depositions forecasted by NDDVP are better than those by the old V_d pattern.
文摘It is helpful to go deep into understanding the acid rainfall through studying the relation of two centers between acid deposition and rainfall and the relation of intensity between them.We adopt a three-dimensional Eulerian regional acid deposition model,or NCAR-RADM,to calculate regional chemical concentrations and dry and wet depositions of acids.The temporally and spatially varied meteorological field is provided by a mesoscale meteorological model,vertion 4.We calculate dry and wet depositions of acids in eight kinds of different rainfall distributions.The results show that the wet depositions of acids near pollutant source is very sensitive to rainfall intensity in initial stage.The distribution of acid wet deposition will tend to that of rainfall intensity when rainfall intensity is small in source.And it will tend to that of initial pollutant concentration when rainfall intensity is large in source.
文摘Microcalorimetry was used to study the inhibitory or antibiotic action of six kinds of the model compounds of purple acid phosphatases on a strain of Aerobacter aerogenes . Difference in their capacities to inhibit the metabolism of this bacterium was observed. The extent and duration of the inhibitory effect on the metabolism as judged from the growth rate constant, k , and the half inhibitory concentration, IC 50 , varied with the different drugs. The rate constant k of A. aerogenes (in the log phase) in the presence of the compounds decreased with the increasing of concentrations. The experimental results reveal that the order of the antibiotic activity of the compounds is: LD 1>LD 2>LD 3>XF 1>LD 4～LD 5.
