The preparation of ethanol-diesel fuel blends and their emission characteristics were investigated. Results showed the absolute ethanol can dissolve in diesel fuel at an arbitrary ratio and a small quantity of water(0...The preparation of ethanol-diesel fuel blends and their emission characteristics were investigated. Results showed the absolute ethanol can dissolve in diesel fuel at an arbitrary ratio and a small quantity of water(0.2%) addition can lead to the phase separation of blends. An organic additive was synthesized and it can develop the ability of resistance to water and maintain the stability of ethanol-diesel-trace amounts of water system. The emission characteristics of 10%, 20%, and 30% ethanol-diesel fuel blends, with or without additives, were compared with those of diesel fuel in a direct injection(DI) diesel engine. The experimental results indicated that the blend of ethanol with diesel fuel significantly reduced the concentrations of smoke, hydrocarbon(HC), and carbon monoxide(CO) in exhaust gas. Using 20% ethanol-diesel fuel blend with the additive of 2% of the total volume, the optimum mixing ratio was achieved, at which the bench diesel engine testing showed a significant decrease in exhaust gas. Bosch smoke number was reduced by 55%, HC emission by 70%, and CO emission by 45%, at 13 kW/1540 r/min. However, ethanol-diesel fuel blends produced a few ppm acetaldehydes and more ethanol in exhaust gas.展开更多
The use of ethanol is a promising method to reduce the emissions of diesel engines.The present study has been based on the installation of a gasoline electronic injection system in a single-cylinder diesel engine to c...The use of ethanol is a promising method to reduce the emissions of diesel engines.The present study has been based on the installation of a gasoline electronic injection system in a single-cylinder diesel engine to control the amount of ethanol entering the cylinder during the compression(while diesel has been injected into the cylinder by the original pump injection system).The injection time has been controlled by crank angle signal collected by an AVL angle indicator.In the tests ethanol and diesel each accounted for half of the fuel volume,and the total heat energy supply of the fuel was equivalent to that of the diesel under the operating conditions of the original engine.A three-dimensional combustion model of the diesel engine has been implemented by using the CFD software FIRE.Simulations have been carried out assuming uniform and non-uniform injections rate for the different holes and the different results have been compared.According to these results,a non-uniform injection rate can produce early ignition and cause an increase in the maximum in-cylinder pressure and the maximum average incylinder temperature.Moreover,in such conditions NO emissions are larger while soot emission is slightly lower.展开更多
Platinum/cerium-zirconium-sulfate(Pt/Ce-Zr-SO_4^(2-)) catalysts were prepared by wetness impregnation.Catalytic activities were evaluated from the combustion of propene and CO.Sulfate(SO_4^(2-))addition improv...Platinum/cerium-zirconium-sulfate(Pt/Ce-Zr-SO_4^(2-)) catalysts were prepared by wetness impregnation.Catalytic activities were evaluated from the combustion of propene and CO.Sulfate(SO_4^(2-))addition improved the catalytic activity significantly.When using Pt/Ce-Zr-SO_4^(2-) with 10 wt%SO_4^(2-),the temperature for 90%conversion of propene and CO decreased by 75℃ compared with Pt/Ce-Zr.The conversion exceeded 95%at 240℃ even after 0.02%sulfur dioxide poisoning for 20 h.Temperature-programmed desorption of CO and X-ray photoelectron spectroscopy analyses revealed an improvement in Pt dispersion onto the Ce-Zr-SO_4^(2-) support,and the increased number of Pt particles built up more Pt^(-)-(SO_4^(2-))^(-) couples,which resulted in excellent activity.The increased total acidity and new Bronsted acid sites on the surface provided the Pt/Ce-Zr-SO_4^(2-) with good sulfur resistance.展开更多
In this paper, we study the best-mixture ratio of biodiesel-ethanol-diesel for diesel engines. The simulation results show that the integrated indexes including engine power, cost-effectiveness and emission properties...In this paper, we study the best-mixture ratio of biodiesel-ethanol-diesel for diesel engines. The simulation results show that the integrated indexes including engine power, cost-effectiveness and emission properties are rather better with different optimizing index when the ratio of bio-diesel, ethanol and diesel are 71.58:2.72:25.70 and 50:2.4127:47.5873.展开更多
We isolated a novel laminarinase ULam111 from Flavobacterium sp. strain UMI-01. Purified ULam111 showed degradation activity against laminarin with the specific activity of 224 ± 18 U/mg at 30°C and pH 6.0. ...We isolated a novel laminarinase ULam111 from Flavobacterium sp. strain UMI-01. Purified ULam111 showed degradation activity against laminarin with the specific activity of 224 ± 18 U/mg at 30°C and pH 6.0. Its optimum temperature was 50°C, and degradation activities against laminarin were observed at 4°C - 80°C. With a laminarin degradation system, we investigated the preparation and properties of immobilized ULam111 with the use of the 11 types of carriers. The high activity recoveries of immobilized ULam111 were as follows: 19.4% for IB-S60P carrier beads (the non-ionic type), 15.6% for IB-S60S carrier beads (the non-ionic type), 11.9% for IB-150P carrier beads (the covalent type), and 7.1% for IB-C435 carrier beads (the cationic type). With the repeated use of immobilized ULam111, the enzyme activities immobilized on IB-S60S and those on IB-S60P remained at 40% and 30% respectively after the sixth trial. We selected IB-S60S as suitable beads for enzyme immobilization, and we attempted to construct a reactor system with ULam111 immobilized on IB-S60S beads. In this system, 1.2 - 1.9 g/L glucose was repeatedly produced from 30 mg/mL laminarin solutions after 20 hr when the reactor operation was repeated 10 times. We examined ethanol fermentation from the saccharified solutions with a marine-derived yeast (Saccharomyces cerevisiae C-19), and 0.51 - 0.58 g/L bioethanol was produced from the saccharified solution that contained 1.71 - 1.86 g/L of glucose.展开更多
Nonaqueous amine-based system is an attractive solution to overcome high-energy-intensive CO_(2) capture process using the conventional aqueous amines.Advanced nonaqueous absorbent of 2-(butylamino)ethanol(BAE)with 2-...Nonaqueous amine-based system is an attractive solution to overcome high-energy-intensive CO_(2) capture process using the conventional aqueous amines.Advanced nonaqueous absorbent of 2-(butylamino)ethanol(BAE)with 2-butoxyethanol(2-BE)has been recently proposed for low-energyconsumption CO_(2) capture.In this work,Henry’s law constants of CO_(2) in the BAE/2-BE blend were obtained by N_(2)O/CO_(2) analogy,and correlated in the temperature range of(283–333)K.Vapor-liquid equilibrium(VLE)data for the BAE+CO_(2)+2-BE system at 65.4%(mass)BAE were also determined in a stirred equilibrium cell at temperatures of(313–393)K and CO_(2) partial pressures up to 275 kPa.A single apparent equilibrium constant KCO_(2);app was proposed for this system and correlated as a function of temperature,carbonated degree of amine and CO_(2) loading.Solubility data were well represented by the modified Kent-Eisenberg model with an average absolute relative deviation(AARD)of 13%.展开更多
The primary barrier to the use of ethanol in diesel fuel is the poor miscibility at lower temperatures. The miscibilities of ethanol in 19 diesel fuels having a wide variation in compositions were evaluated by testin...The primary barrier to the use of ethanol in diesel fuel is the poor miscibility at lower temperatures. The miscibilities of ethanol in 19 diesel fuels having a wide variation in compositions were evaluated by testing their phase separation temperatures. The result shows that aromatic contents and intermediate distillate temperatures have a significant impact on miscibility limits. The FCC diesels, which contain up to 50% of aromatics, exhibit different phase behavior trends in comparison with straight-run diesels and other diesel fuels.展开更多
Objective To investigate the potential therapeutic targets and pharmacological mechanism of(-)-epigallocatechin-3-gallate(EGCG)based on network pharmacology and experimental verification.METHODS The druggability of EG...Objective To investigate the potential therapeutic targets and pharmacological mechanism of(-)-epigallocatechin-3-gallate(EGCG)based on network pharmacology and experimental verification.METHODS The druggability of EGCG was measured by the traditional Chinese medicine systems pharmacology(TCMSP)server,and potential targets of EGCG were identified by Pharm Mapper and Drug Repositioning and Adverse drug Reaction via Chemical-Protein Interactome(DRAR-CPI).The potential targets were imported into GeneMANIA database to obtain the protein-protein direct interaction network,and target physical interaction,co-expression,prediction,genetic interaction,and shared protein domains.The biological process,molecular functions,cellular components and KEGG signaling pathways of potential targets were analyzed using DAVID database.For further study,ethanol was used to establish a model of endothelial injury in vitro.The cell viability was assayed by MTT method,the cellular apoptosis was stained by Annexin V/PI,and the expression levels of Bcl-2,Bax and cleved-caspase-3 were tested by Western blotting.Then,JC-1 and nuclear translocation of NF-κB experiments were used to study the mitochondrial membrane potential and nuclear translocation.RESULTS The oral availability of EGCG was 55.09%(≥30%)and drug-like index was 0.77(≥0.18),which were considered pharmacokinetically active.17 potential targetable proteins of EGCG were predicted by Pharm Mapper and DRAR-CPI.Further research showed that 68.13%displayed similar co-expression characteristics,26.11%physical interactions,and 2.74%shared the same protein domain.The depth network analysis results showed that the biofunctions of EGCG were mainly by regulating glutathione derivative biosynthetic process,glutathione metabolic process,nitrogen compound metabolic process etc..via drug binding,catalytic activity,glutathione transferase activity,anion binding etc..in sarcoplasmic reticulum,spindle pole,microtubule cytoskeleton and cytoplasm.KEGG enrichment analysis showed that Glutathione metabolism,IL^(-1)7 signaling pathway,EGFR tyrosine kinase inhibitor resistance,PI3K-Akt signaling pathway and other pathways were involves in the biofunction of EGCG.The above analyses indicated that EGCG exerts its biofunction through antioxidant and anti-inflammatory mechanisms.The experimental results showed that ethanol 20.0 mmol·L^(-1) decreased cell viability,Bcl-2 expression,and increased cell apoptosis,the intracellular ROS,as well as the expression of Bax and cleaved-caspase-3 of human endothelial cells.However,treatment of the cells with EGCG can significantly alleviate ethanol induced endothelial cells injury.Further study showed that EGCG significantly alleviates ethanol induced mitochondrial depolarization and nuclear translocation of NF-κB.CONCLUSIONS EGCG exerts pharmacological efficacies on ethanol induced endothelial cell injury through multi-target,multi-function and multi-pathway mode.Protective effect of EGCG on ethanol induced cell injury was mainly through alteration of mitochondrial function and NF-κB translocation.Therefore,EGCG have great potential in protecting against endothelial dysfunction of the persons who are chronically abuse of ethanol.This study also provides a new understanding of EGCG in clinical application on cardiovascular and cerebrovascular diseases.展开更多
A simple and specific gas chromatographic method developed and validated for the determination of 2-(2-chloroethoxy) ethanol in Quetiapine Fumarate. The method is carried out with a flame ionization detector and DB-FF...A simple and specific gas chromatographic method developed and validated for the determination of 2-(2-chloroethoxy) ethanol in Quetiapine Fumarate. The method is carried out with a flame ionization detector and DB-FFAP capillary column. The linearity was established over a range of 40-150 μg ml-1 and correlation coefficient is more than 0.999.展开更多
Focusing our DFT calculations on the carboxylic acid drugs such as ibuprofen drug (IBF), it has been concluded that the anions of these types of drugs have the spontaneous electron donor character to all the carcinoge...Focusing our DFT calculations on the carboxylic acid drugs such as ibuprofen drug (IBF), it has been concluded that the anions of these types of drugs have the spontaneous electron donor character to all the carcinogenic cells of electron deficiency in their nuclei. Due to the spontaneity of electron transfer of anions, it has been found clinically that ibuprofen drug cures cancers of colon, protostate, lung and breast. The breast cancer treatment of Matthew Gdovin group in two hours by injection of ethanolic solution of nitrobenzaldehyde in the breast tumor in presence of uv-irradiation has been studied from TD-DFT point of view;the excited states of these molecules in presence of uv-irradiation act as electron donors to the cancerous cells to compensate the electron deficiency. Finally, it has been concluded that the electron transfer is the main cause of the breast cancer treatment which is the most aggressive type of cancers and is one of the hardest to treat.展开更多
A single-Rh-site catalyst(Rh-TPISP)that was ionically-embedded on a P(V)quaternary phosphonium porous polymer was evaluated for heterogeneous ethanol carbonylation.The[Rh(CO)I_(3)]^(2-)unit was proposed to be the acti...A single-Rh-site catalyst(Rh-TPISP)that was ionically-embedded on a P(V)quaternary phosphonium porous polymer was evaluated for heterogeneous ethanol carbonylation.The[Rh(CO)I_(3)]^(2-)unit was proposed to be the active center of Rh-TPISP for the carbonylation reaction based on detailed Rh L3-edge X-ray absorption near edge structure(XANES),X-ray photoelectron spectroscopy(XPS),and Rh extended X-ray absorption fine structure(EXAFS)analyses.As the highlight of this study,Rh-TPISP displayed distinctly higher activity for heterogeneous ethanol carbonylation than the reported catalytic systems in which[Rh(CO)_(2)I_(2)]^(-)is the traditional active center.A TOF of 350 h^(-1)was obtained for the reaction over[Rh(CO)I_(3)]^(2-),with>95%propionyl selectivity at 3.5 MPa and 468 K.No deactivation was detected during a near 1000 h running test.The more electron-rich Rh center was thought to be crucial for explaining the superior activity and selectivity of Rh-TPISP,and the formation of two ionic bonds between[Rh(CO)I_(3)]^(2-)and the cationic P(V)framework([P]^(+))of the polymer was suggested to play a key role in firmly immobilizing the active species to prevent Rh leaching.展开更多
文摘The preparation of ethanol-diesel fuel blends and their emission characteristics were investigated. Results showed the absolute ethanol can dissolve in diesel fuel at an arbitrary ratio and a small quantity of water(0.2%) addition can lead to the phase separation of blends. An organic additive was synthesized and it can develop the ability of resistance to water and maintain the stability of ethanol-diesel-trace amounts of water system. The emission characteristics of 10%, 20%, and 30% ethanol-diesel fuel blends, with or without additives, were compared with those of diesel fuel in a direct injection(DI) diesel engine. The experimental results indicated that the blend of ethanol with diesel fuel significantly reduced the concentrations of smoke, hydrocarbon(HC), and carbon monoxide(CO) in exhaust gas. Using 20% ethanol-diesel fuel blend with the additive of 2% of the total volume, the optimum mixing ratio was achieved, at which the bench diesel engine testing showed a significant decrease in exhaust gas. Bosch smoke number was reduced by 55%, HC emission by 70%, and CO emission by 45%, at 13 kW/1540 r/min. However, ethanol-diesel fuel blends produced a few ppm acetaldehydes and more ethanol in exhaust gas.
基金the National Natural Science Foundation of China(Nos.51476072 and 51366002)the Science and Technology Foundation of Guizhou Province(No.[2018]1006)+1 种基金Supporting Program for Top Scientific and Technological Talents in Universities of Guizhou Province(No.[2018]062)High-level Talent Research Funding Project of Guizhou Institute of Technology and Key Construction Projects of the First Class University(Phase I)of Guizhou Province in 2017-the First Class Course(Nos.2017158418 and 2017158435).
文摘The use of ethanol is a promising method to reduce the emissions of diesel engines.The present study has been based on the installation of a gasoline electronic injection system in a single-cylinder diesel engine to control the amount of ethanol entering the cylinder during the compression(while diesel has been injected into the cylinder by the original pump injection system).The injection time has been controlled by crank angle signal collected by an AVL angle indicator.In the tests ethanol and diesel each accounted for half of the fuel volume,and the total heat energy supply of the fuel was equivalent to that of the diesel under the operating conditions of the original engine.A three-dimensional combustion model of the diesel engine has been implemented by using the CFD software FIRE.Simulations have been carried out assuming uniform and non-uniform injections rate for the different holes and the different results have been compared.According to these results,a non-uniform injection rate can produce early ignition and cause an increase in the maximum in-cylinder pressure and the maximum average incylinder temperature.Moreover,in such conditions NO emissions are larger while soot emission is slightly lower.
基金supported by the National Natural Science Foundation of China(21506194,21676255)the Provincial Natural Science Foundation of Zhejiang Province(LY16B070011)the Commission of Science and Technology of Zhejiang Province(2017C33106,2017C03007)~~
文摘Platinum/cerium-zirconium-sulfate(Pt/Ce-Zr-SO_4^(2-)) catalysts were prepared by wetness impregnation.Catalytic activities were evaluated from the combustion of propene and CO.Sulfate(SO_4^(2-))addition improved the catalytic activity significantly.When using Pt/Ce-Zr-SO_4^(2-) with 10 wt%SO_4^(2-),the temperature for 90%conversion of propene and CO decreased by 75℃ compared with Pt/Ce-Zr.The conversion exceeded 95%at 240℃ even after 0.02%sulfur dioxide poisoning for 20 h.Temperature-programmed desorption of CO and X-ray photoelectron spectroscopy analyses revealed an improvement in Pt dispersion onto the Ce-Zr-SO_4^(2-) support,and the increased number of Pt particles built up more Pt^(-)-(SO_4^(2-))^(-) couples,which resulted in excellent activity.The increased total acidity and new Bronsted acid sites on the surface provided the Pt/Ce-Zr-SO_4^(2-) with good sulfur resistance.
文摘In this paper, we study the best-mixture ratio of biodiesel-ethanol-diesel for diesel engines. The simulation results show that the integrated indexes including engine power, cost-effectiveness and emission properties are rather better with different optimizing index when the ratio of bio-diesel, ethanol and diesel are 71.58:2.72:25.70 and 50:2.4127:47.5873.
文摘We isolated a novel laminarinase ULam111 from Flavobacterium sp. strain UMI-01. Purified ULam111 showed degradation activity against laminarin with the specific activity of 224 ± 18 U/mg at 30°C and pH 6.0. Its optimum temperature was 50°C, and degradation activities against laminarin were observed at 4°C - 80°C. With a laminarin degradation system, we investigated the preparation and properties of immobilized ULam111 with the use of the 11 types of carriers. The high activity recoveries of immobilized ULam111 were as follows: 19.4% for IB-S60P carrier beads (the non-ionic type), 15.6% for IB-S60S carrier beads (the non-ionic type), 11.9% for IB-150P carrier beads (the covalent type), and 7.1% for IB-C435 carrier beads (the cationic type). With the repeated use of immobilized ULam111, the enzyme activities immobilized on IB-S60S and those on IB-S60P remained at 40% and 30% respectively after the sixth trial. We selected IB-S60S as suitable beads for enzyme immobilization, and we attempted to construct a reactor system with ULam111 immobilized on IB-S60S beads. In this system, 1.2 - 1.9 g/L glucose was repeatedly produced from 30 mg/mL laminarin solutions after 20 hr when the reactor operation was repeated 10 times. We examined ethanol fermentation from the saccharified solutions with a marine-derived yeast (Saccharomyces cerevisiae C-19), and 0.51 - 0.58 g/L bioethanol was produced from the saccharified solution that contained 1.71 - 1.86 g/L of glucose.
基金supported by Natural Science Foundation of Hebei Province(B2018208154)Department of Education of Hebei Province,P.R.China(SLRC2019051)Key Foundation of Hebei Provincial Department of Science and Technology,P.R.China(21373703D).
文摘Nonaqueous amine-based system is an attractive solution to overcome high-energy-intensive CO_(2) capture process using the conventional aqueous amines.Advanced nonaqueous absorbent of 2-(butylamino)ethanol(BAE)with 2-butoxyethanol(2-BE)has been recently proposed for low-energyconsumption CO_(2) capture.In this work,Henry’s law constants of CO_(2) in the BAE/2-BE blend were obtained by N_(2)O/CO_(2) analogy,and correlated in the temperature range of(283–333)K.Vapor-liquid equilibrium(VLE)data for the BAE+CO_(2)+2-BE system at 65.4%(mass)BAE were also determined in a stirred equilibrium cell at temperatures of(313–393)K and CO_(2) partial pressures up to 275 kPa.A single apparent equilibrium constant KCO_(2);app was proposed for this system and correlated as a function of temperature,carbonated degree of amine and CO_(2) loading.Solubility data were well represented by the modified Kent-Eisenberg model with an average absolute relative deviation(AARD)of 13%.
文摘The primary barrier to the use of ethanol in diesel fuel is the poor miscibility at lower temperatures. The miscibilities of ethanol in 19 diesel fuels having a wide variation in compositions were evaluated by testing their phase separation temperatures. The result shows that aromatic contents and intermediate distillate temperatures have a significant impact on miscibility limits. The FCC diesels, which contain up to 50% of aromatics, exhibit different phase behavior trends in comparison with straight-run diesels and other diesel fuels.
基金National Natural Science Foundation of China(82100488)Key Research and Development Pro⁃gram Project of Shaanxi Province(2021SF-071)and National Training Program of Innovation and Entrepreneurship for Students of China(201910716019,201910716020,202110716027)。
文摘Objective To investigate the potential therapeutic targets and pharmacological mechanism of(-)-epigallocatechin-3-gallate(EGCG)based on network pharmacology and experimental verification.METHODS The druggability of EGCG was measured by the traditional Chinese medicine systems pharmacology(TCMSP)server,and potential targets of EGCG were identified by Pharm Mapper and Drug Repositioning and Adverse drug Reaction via Chemical-Protein Interactome(DRAR-CPI).The potential targets were imported into GeneMANIA database to obtain the protein-protein direct interaction network,and target physical interaction,co-expression,prediction,genetic interaction,and shared protein domains.The biological process,molecular functions,cellular components and KEGG signaling pathways of potential targets were analyzed using DAVID database.For further study,ethanol was used to establish a model of endothelial injury in vitro.The cell viability was assayed by MTT method,the cellular apoptosis was stained by Annexin V/PI,and the expression levels of Bcl-2,Bax and cleved-caspase-3 were tested by Western blotting.Then,JC-1 and nuclear translocation of NF-κB experiments were used to study the mitochondrial membrane potential and nuclear translocation.RESULTS The oral availability of EGCG was 55.09%(≥30%)and drug-like index was 0.77(≥0.18),which were considered pharmacokinetically active.17 potential targetable proteins of EGCG were predicted by Pharm Mapper and DRAR-CPI.Further research showed that 68.13%displayed similar co-expression characteristics,26.11%physical interactions,and 2.74%shared the same protein domain.The depth network analysis results showed that the biofunctions of EGCG were mainly by regulating glutathione derivative biosynthetic process,glutathione metabolic process,nitrogen compound metabolic process etc..via drug binding,catalytic activity,glutathione transferase activity,anion binding etc..in sarcoplasmic reticulum,spindle pole,microtubule cytoskeleton and cytoplasm.KEGG enrichment analysis showed that Glutathione metabolism,IL^(-1)7 signaling pathway,EGFR tyrosine kinase inhibitor resistance,PI3K-Akt signaling pathway and other pathways were involves in the biofunction of EGCG.The above analyses indicated that EGCG exerts its biofunction through antioxidant and anti-inflammatory mechanisms.The experimental results showed that ethanol 20.0 mmol·L^(-1) decreased cell viability,Bcl-2 expression,and increased cell apoptosis,the intracellular ROS,as well as the expression of Bax and cleaved-caspase-3 of human endothelial cells.However,treatment of the cells with EGCG can significantly alleviate ethanol induced endothelial cells injury.Further study showed that EGCG significantly alleviates ethanol induced mitochondrial depolarization and nuclear translocation of NF-κB.CONCLUSIONS EGCG exerts pharmacological efficacies on ethanol induced endothelial cell injury through multi-target,multi-function and multi-pathway mode.Protective effect of EGCG on ethanol induced cell injury was mainly through alteration of mitochondrial function and NF-κB translocation.Therefore,EGCG have great potential in protecting against endothelial dysfunction of the persons who are chronically abuse of ethanol.This study also provides a new understanding of EGCG in clinical application on cardiovascular and cerebrovascular diseases.
文摘A simple and specific gas chromatographic method developed and validated for the determination of 2-(2-chloroethoxy) ethanol in Quetiapine Fumarate. The method is carried out with a flame ionization detector and DB-FFAP capillary column. The linearity was established over a range of 40-150 μg ml-1 and correlation coefficient is more than 0.999.
文摘Focusing our DFT calculations on the carboxylic acid drugs such as ibuprofen drug (IBF), it has been concluded that the anions of these types of drugs have the spontaneous electron donor character to all the carcinogenic cells of electron deficiency in their nuclei. Due to the spontaneity of electron transfer of anions, it has been found clinically that ibuprofen drug cures cancers of colon, protostate, lung and breast. The breast cancer treatment of Matthew Gdovin group in two hours by injection of ethanolic solution of nitrobenzaldehyde in the breast tumor in presence of uv-irradiation has been studied from TD-DFT point of view;the excited states of these molecules in presence of uv-irradiation act as electron donors to the cancerous cells to compensate the electron deficiency. Finally, it has been concluded that the electron transfer is the main cause of the breast cancer treatment which is the most aggressive type of cancers and is one of the hardest to treat.
文摘A single-Rh-site catalyst(Rh-TPISP)that was ionically-embedded on a P(V)quaternary phosphonium porous polymer was evaluated for heterogeneous ethanol carbonylation.The[Rh(CO)I_(3)]^(2-)unit was proposed to be the active center of Rh-TPISP for the carbonylation reaction based on detailed Rh L3-edge X-ray absorption near edge structure(XANES),X-ray photoelectron spectroscopy(XPS),and Rh extended X-ray absorption fine structure(EXAFS)analyses.As the highlight of this study,Rh-TPISP displayed distinctly higher activity for heterogeneous ethanol carbonylation than the reported catalytic systems in which[Rh(CO)_(2)I_(2)]^(-)is the traditional active center.A TOF of 350 h^(-1)was obtained for the reaction over[Rh(CO)I_(3)]^(2-),with>95%propionyl selectivity at 3.5 MPa and 468 K.No deactivation was detected during a near 1000 h running test.The more electron-rich Rh center was thought to be crucial for explaining the superior activity and selectivity of Rh-TPISP,and the formation of two ionic bonds between[Rh(CO)I_(3)]^(2-)and the cationic P(V)framework([P]^(+))of the polymer was suggested to play a key role in firmly immobilizing the active species to prevent Rh leaching.