Cu nanoparticles were prepared by reducing Cu2+ ions with ascorbic acid through aqueous solution reduction method. The effects of solution pH and average size of Cu2O particles on the preparation of Cu nanoparticles ...Cu nanoparticles were prepared by reducing Cu2+ ions with ascorbic acid through aqueous solution reduction method. The effects of solution pH and average size of Cu2O particles on the preparation of Cu nanoparticles were investigated. Cu particles were prepared at pH 3, 5 or 7, with the smallest Cu particles obtained at pH 7. However, Cu particles could not be prepared at pH 9 or 11. The average size of Cu2O particles can affect that of Cu particles. Larger Cu2O particles result in larger Cu particles. In addition, experiments were conducted to explore the reaction process by measuring the X-ray diffraction (XRD) patterns of specimens collected at different time points during the reaction. It was found that Cu(OH)2 was initially formed as a precursor, followed by the formation of Cu2O, which was finally reduced to Cu particles.展开更多
The preparation of Cu nanoparticles by the aqueous solution reduction method was investigated. The effects of different reaction parameters on the preparation of Cu nanoparticles were studied. The optimum conditions f...The preparation of Cu nanoparticles by the aqueous solution reduction method was investigated. The effects of different reaction parameters on the preparation of Cu nanoparticles were studied. The optimum conditions for preparing well-dispersed nanoparticles were found as follows: 0.4 mol/L NaBH4 was added into solution containing 0.2 mol/L Cu2+, 1.0% gelatin dispersant in mass fraction, and 1.2 mol/L NH3?H2O at pH 12 and 313 K. In addition, a series of experiments were performed to discover the reaction process. NH3?H2O was found to be able to modulate the reaction process. At pH=10, Cu2+ was transformed to Cu(NH3)42+ as precursor after the addition of NH3?H2O, and then Cu(NH3)42+ was reduced by NaBH4 solution. At pH=12, Cu2+ was transformed to Cu(OH)2 as precursor after the addition of NH3?H2O, and Cu(OH)2 was then reduced by NaBH4 solution.展开更多
Cu nanoparticles were prepared by reducing Cu2+ ions with NaBH4 in alkaline solution. The effects of NaBH4 concentration and dripping rate on the formation of Cu nanoparticles were studied. The optimum conditions are...Cu nanoparticles were prepared by reducing Cu2+ ions with NaBH4 in alkaline solution. The effects of NaBH4 concentration and dripping rate on the formation of Cu nanoparticles were studied. The optimum conditions are found to be 0.2 mol/L Cu2+, solution with pH=12, temperature of 313 K and 1% gelatin as dispersant, to which 0.4 mol/L NaBH4 is added at a dripping rate of 50 mL/min. NH3-H2O is found to be the optimal complexant to form the Cu precursor. A series experiments were conducted to study the reaction process at different time points.展开更多
Optimization calculations of 209 polychlorinated biphenyls (PCBs) were carried out at the B3LYP/6-31G^* level. It was found that there is significant correlation between the Cl substitution position and some struct...Optimization calculations of 209 polychlorinated biphenyls (PCBs) were carried out at the B3LYP/6-31G^* level. It was found that there is significant correlation between the Cl substitution position and some structural parameters. Consequently, Cl substitution positions were taken as theoretical descriptors to establish a novel QSPR model for predicting –lgSw of all PCB congeners. The model achieved in this work contains four variables, of which r^2 = 0.9527, q^2 = 0.9490 and SD = 0.25 with large t values. In addition, the variation inflation factors (VIFs) of variables in this model are all less than 5.0, suggesting high accuracy of the –lgSw predicting model. And the results of cross-validation test and method validation also show that the model exhibits optimum stability and better predictive capability than that from the AM1 method.展开更多
Optimized calculations of 75 PCDDs and their parent DD were carded out at the B3LYP/6-31G* level by density functional theory (DFT) method. The structural parameters were obtained and significant correlation betwee...Optimized calculations of 75 PCDDs and their parent DD were carded out at the B3LYP/6-31G* level by density functional theory (DFT) method. The structural parameters were obtained and significant correlation between the C1 substitution position and some structural parameters was found. Consequently, the number of C1 substitution positions was taken as theoretical descriptors to establish two novel QSPR models for predicting lgKow and -lgSw of all PCDD congeners. The two models achieved in this work contain two variables (Na and Nβ), of which r = 0.9312, 0.9965 and SD = 0.27, 0.12 respectively, and t values are all large. The variation inflation factors (VIF) of variables in the two models herein are both less than 5.0, suggesting high accuracy of the lgKow and -lgSw predicting models, and the results of cross-validation test also show that the two models exhibit optimum stability and good predictive power. By comparison, the correlation and predictive ability of the present work are more advantageous than those obtained using semi-empirical AM1 and GC-RI methods.展开更多
Optimized calculations of 209 polychlorinated diphenyl ethers (PCDEs) and diphenyl ethers were carried out at the B3LYP/6-31G^* level with the Gaussian 98 program. Based on the theoretical linear solvation energy r...Optimized calculations of 209 polychlorinated diphenyl ethers (PCDEs) and diphenyl ethers were carried out at the B3LYP/6-31G^* level with the Gaussian 98 program. Based on the theoretical linear solvation energy relationship (TLSER) model, the obtained structural parameters were taken as theoretical descriptors to establish the novel QSPR model for predicting aqueous solubility (-lgSw) of PCDEs. The model obtained in this work contains two variables: mean molecular polarizability (a) and the most positive partial charge on a hydrogen atom (qH^+), of which RE = 0.9606 and SD = 0.32. And the results of cross-validation test also show that the model exhibits optimum stability and better predictive power. Moreover, the predictive power of the new model is better than that of MCIs method.展开更多
Aqueous sodium-ion batteries have attracted extensive attention for large-scale energy storage applications,due to abundant sodium resources,low cost,intrinsic safety of aqueous electrolytes and eco-friendliness.The e...Aqueous sodium-ion batteries have attracted extensive attention for large-scale energy storage applications,due to abundant sodium resources,low cost,intrinsic safety of aqueous electrolytes and eco-friendliness.The electrochemical performance of aqueous sodium-ion batteries is affected by the properties of electrode materials and electrolytes.Among various electrode materials,Mn-based electrode materials have attracted tremendous attention because of the abundance of Mn,low cost,nontoxicity,eco-friendliness and interesting electrochemical performance.Aqueous electrolytes having narrow electrochemical window also affect the electrochemical performance of Mn-based electrode materials.In this review,we introduce systematically Mn-based electrode materials for aqueous sodium-ion batteries from cathode and anode materials and offer a comprehensive overview about their recent development.These Mn-based materials include oxides,Prussian blue analogues and polyanion compounds.We summarize and discuss the composition,crystal structure,morphology and electrochemical properties of Mn-based electrode materials.The improvement methods based on electrolyte optimization,element doping or substitution,optimization of morphology and carbon modification are highlighted.The perspectives of Mn-based electrode materials for future studies are also provided.We believe this review is important and helpful to explore and apply Mn-based electrode materials in aqueous sodium-ion batteries.展开更多
This study explored the extraction process of indigo pigment from Baphicacanthus cusia using aqueous enzymatic method for the first time. Through single factor tests and orthogonal tests, this study investigated the e...This study explored the extraction process of indigo pigment from Baphicacanthus cusia using aqueous enzymatic method for the first time. Through single factor tests and orthogonal tests, this study investigated the effects of extraction time, extraction temperature, enzyme concentration, pH value, and solidliquid ratio on the extraction rate of indigo pigment. The results showed that the extraction rate of indigo reached the highest(0.218%) when the solid-liquid ratio was 1:20, enzyme concentration was 6 g/L, pH value was 5, extraction temperature was 50℃, and extraction time was 3 h. The method had greatly shortened the extraction time, simplified the extraction process, and improved the extraction efficiency while producing little pollution and meeting the green environmental protection requirements.展开更多
An aqueous sol-gel method for the synthesis of γ-Al2O3 supports has been developed for the use in tar reforming applications. It was determined the influences of two different aluminum precursors (aluminum sec-butoxi...An aqueous sol-gel method for the synthesis of γ-Al2O3 supports has been developed for the use in tar reforming applications. It was determined the influences of two different aluminum precursors (aluminum sec-butoxide (Al[OCH(CH3)CH2CH3]3) and aluminum nitrate (Al(NO3)3)) on the textural and crystallographic properties of Al2O3 supports. Only the formation of γ-Al2O3 is aimed in order to use these alumina materials as catalytic supports, because it presents high specific surface area and pore volume values. Additionally, the synthesis of γ-Al2O3 was realized with the use of a functionalized silicon precursor, [3-(2-aminoethylamino)propyl]trimethoxysilane, called EDAS. By the presence of an ethylenediamine group in this molecule, it is possible to chelate metallic ions and to highly increase their dispersion at a molecular level during the synthesis of metallic catalysts supported on alumina, which is an asset for catalytic applications. So it was developed a synthesis sol-gel procedure for the cogelation between the functionalized silicon alkoxide EDAS and alumina precursor. The alumina supports synthesized with Al(NO3)3 as precursor presented higher porous values than the ones obtained with aluminium sec-butoxide precursor. Since nitrate salts are much easier to handle than alkoxides, these observations allowed validating Al(NO3)3 as aluminum source for the future synthesis procedures for metallic catalysts supported on alumina.展开更多
The procedure of enzymatic aqueous extraction of soybean oil was assessed when two-step controlled enzymatic hydrolysis was applied. With aqueous extraction of soybean oil-containing protein, the highest yield of oil ...The procedure of enzymatic aqueous extraction of soybean oil was assessed when two-step controlled enzymatic hydrolysis was applied. With aqueous extraction of soybean oil-containing protein, the highest yield of oil was 96.1% at the optimized conditions studied. Soybean oil-containing protein was hydrolyzed and resulted in releasing part of oil. The separated protein that contained 40% oil was enriched due to its adsorption capacity of released oil, the average oil extraction yeild reached 93.5%. Then the high oil content protein was hydrolyzed again to release oil by enzyme, the oil extraction yeild was 80.4%. As a result, high quality of soybean oil was obtained and the content of total oil yield was 74.4%.展开更多
Taken kiwi fruit as raw material, this paper extracted kiwi fruit seed oil with ultrasonic-assisted enzyme, researched the influence of factors such as liquid-to-solid ratio, granularity, type of enzyme, ultrasonic po...Taken kiwi fruit as raw material, this paper extracted kiwi fruit seed oil with ultrasonic-assisted enzyme, researched the influence of factors such as liquid-to-solid ratio, granularity, type of enzyme, ultrasonic power, treating time, enzymolysis temperature, enzymolysis time, pH and enzyme additive on oil extraction, and optimized the extracting technology of kiwi fruit seed oil with response surface method. The result shows that the best technical parameter is: material granularity: 60, liquid-to-solid ratio: 1:10 (g/mL), ultrasonic power: 400 W, treating time: 30 min, enzyme amount: 2.50%, pH: 9.2, enzymolysis temperature: 53°C, enzymolysis time: 2.80 h;and the extracting ratio under such condition is 92.57%.展开更多
The solubility of alloxazine in aqueous solution at pH 4 (10–4 molar HCl) and pH 10 (10–4 molar NaOH) at room temperature is determined by absorption spectroscopic characterization. Knowledge of the solubility is ne...The solubility of alloxazine in aqueous solution at pH 4 (10–4 molar HCl) and pH 10 (10–4 molar NaOH) at room temperature is determined by absorption spectroscopic characterization. Knowledge of the solubility is needed for sample preparation and quantitative spectroscopic solution characterization. Samples of different in-weight concentration were prepared and absorption spectra were measured versus storage time. The solubility limit concentration Csol was determined by the crossing point of the linearized absorption coefficient dependences on in-weight preparation concentration below and above the solubility limit. Values of Csol= 9.05 ± 1 μM and 14.5 ± 1 μM were determined for alloxazine in aqueous solution at pH 4 and pH 10, respectively.展开更多
New technologies for iodine separation and recovery are required to decrease environmental pollution and improve iodine production. Separation and recovery of iodine (I2) in aqueous solution was achieved using permeat...New technologies for iodine separation and recovery are required to decrease environmental pollution and improve iodine production. Separation and recovery of iodine (I2) in aqueous solution was achieved using permeation and chemical desorption (PCD) with a silicone rubber membrane (SRM). The SRM separated an aqueous feed solution from an alkaline or reducing recovery solution such as a mixture of sodium hydrate and sodium sulfate. The I2 crossed the membrane from the aqueous feed solution into the recovery solution, where it was converted into iodide (I–). Iodide in the recovery solution did not return to the feed solution across the SRM. An acidic feed solution promoted a high recovery of iodine. The permeation process followed first-order kinetics, allowing the overall mass-transfer coefficient and parameters related to permeation of I2 through the SRM to be determined. Permeability of I2 increased with temperature, and the apparent activation energy (Ea) for penetration of I2 through the SRM was determined. The value of Ea for I2 was of the same order of magnitude as those for phenols and anilines. The large membrane/aqueous distribution coefficient for I2 indicated that I2 had a high affinity toward the SRM. These results indicate that the PCD method is effective and powerful for separation and recovery of iodine from aqueous solutions.展开更多
Objective:To achieve a primary pharmacological screening contained in the aqueous extract of Berberis vulgaris(B.vulgaris) and to examine the hypoglycaemic effect and biochemical parameters of aqueous and saponins ext...Objective:To achieve a primary pharmacological screening contained in the aqueous extract of Berberis vulgaris(B.vulgaris) and to examine the hypoglycaemic effect and biochemical parameters of aqueous and saponins extract on groups of rats rendered diabetic by injection of streptozotocin.Methods:The phytochemicol tests to detect the presence of different compounds were based on the visual observation of color change or formation of precipitate after the addition of specific reagents.Diabetes was induced in rats by intraperitoneal(i.p.) injection of streptozotocin(STZ) at a dose of 65 mg/kg bw.The fasting blood glucose levels were estimated by glucose oxidase-peroxidase reactive strips(Dextrostix,Bayer Diagnostics).Blood samples were taken by cutting the tip of the tail.Serum cholesterol and serum triglycerides were estimated by enzymatic DHBS colorimetric method.Results:Administration of 62.5 and 2S.0 mg/kg of saponins and aqueous extract respectively in normal rats group shows a significant hypoglycemic activity(32.33%and 40.17%respectively) during the first week.However,diabetic group treated with saponin extract produced a maximum fall of 73.1%and 76.03%at day 1 and day 21 compared to the diabetics control.Also,blood glucose levels of the diabetic rats treated with aqueous extract showed decrease of 78.79%on the first day and the effect remains roughly constant during 3 week. Both extracts also declined significantly biochemical parameters(20.77%-49.00%).The control in the loss of body weight was observed in treated diabetic rats as compared to diabetic controls. Conclusions:These results demonstrated significant antidiabetic effects and showed that serum cholesterol and serum triglycerides levels were decreased,significantly,consequently this plant might be of value in diabetes treatment.展开更多
Crystalline carbon nitride(CCN)prepared by a molten-salt method is attracting increased attention because of its promising properties and excellent photocatalytic activity.In this work,we further improve the crystalli...Crystalline carbon nitride(CCN)prepared by a molten-salt method is attracting increased attention because of its promising properties and excellent photocatalytic activity.In this work,we further improve the crystallinity of CCN through synthesis by the molten-salt method under the action of aqueous hydrochloric acid(HCl)solution.Our results showed that the crystallinity of the as-prepared samples increased with increasing HCl concentration and reached the maximum value at 0.1 mol L^-1.This can be attributed to the removal of some potassium ions(K+)from the terminal amino groups of CCN by the aqueous HCl solution,which results in a release of the polymerization sites.As a result,the crystallinity of the as-prepared samples further increased.Moreover,the obtained 0.1 highly crystalline carbon nitride(0.1HCCN;treated with 0.1 mol L^-1 aqueous HCl solution)exhibited an excellent photocatalytic hydrogen evolution of 683.54μmol h^-1 g^-1 and a quantum efficiency of 6.6%at 420 nm with triethanolamine as the sacrificial agent.This photocatalytic hydrogen evolution was 2 and 10 times higher than those of CCN and bulk carbon nitride,respectively.The enhanced photocatalytic activity was attributed to the improved crystallinity and intercalation of K+into the xHCCN interlayer.The improved crystallinity can decrease the number of surface defects and hydrogen bonds in the as-prepared sample,thereby increasing the mobility of the photoinduced carriers and reducing the recombination sites of the electron-hole pairs.The K+intercalated into the xHCCN interlayer also promoted the transfer of the photoinduced electrons because these ions can increase the electronic delocalization and extend theπ-conjugated systems.This study may provide new insights into the further development of the molten-salt method.展开更多
In order to reduce the fluctuation of LIBS detection spectrum of liquid sample,the full-spectrum sum method and the internal standardization method is adopted,using an equal-RSD normalization algorithm to calibrate th...In order to reduce the fluctuation of LIBS detection spectrum of liquid sample,the full-spectrum sum method and the internal standardization method is adopted,using an equal-RSD normalization algorithm to calibrate the detection spectrum.Experiment result shows that the full-spectrum sum method reduced the RSD of parallel samples of Cd and Cr to 9.4% and 11.06% from 28.32% and 31.93% respectively,yielded better overall calibration than the singleelement internal standardization approach,thereby suggesting that the former method is convenient and effective for online calibration of LIBS for detection of aqueous heavy metals.展开更多
A novel method using ethanol and ultrasound to extract oil from cream obtained from enzyme-assisted aqueous extraction of soybean oil was developed.To evaluate the relationships between operating variables and free oi...A novel method using ethanol and ultrasound to extract oil from cream obtained from enzyme-assisted aqueous extraction of soybean oil was developed.To evaluate the relationships between operating variables and free oil yield and to maximize the free oil yield,response surface methodology was introduced in this work.The developed regression model was fitted with R2=0.9591.Optimized variables were:ethanol concentration of73%,ethanol addition volume of 0.55 L/kg,ultrasound power of 427 W,ultrasound time of 47 s,and ultrasound temperature of 53℃.The free oil yield from the cream under the above conditions was 92.6±3.4%.Scanning electron microscopy(SEM)was used to evaluate the effect of ultrasonic treatment on ethanoltreated cream,and the SEM images clearly showed that the ultrasound treatment affected dispersing and fracturing of the microstructure of ethanol-treated cream.展开更多
With their intrinsic safety and environmental benignity,aqueous Zn-ion batteries(ZIBs)have been considered the most appropriate candidates for replacing alkali metal systems.However,polycrystalline Zn anodes in aqueou...With their intrinsic safety and environmental benignity,aqueous Zn-ion batteries(ZIBs)have been considered the most appropriate candidates for replacing alkali metal systems.However,polycrystalline Zn anodes in aqueous environments still pose enormous issues,such as dendrite growth and side reactions.Although many efforts have been made to address these obstacles through interphase modification and electrolyte design,researchers have not been able to improve the inherent thermodynamic stability and ion deposition behavior of the Zn anode.It is imperative to understand and explore advanced anode construction methods from the perspective of crystallinity.This review delves into the feasibility of precisely regulating the crystallographic features of metallic zinc,examines the challenges and merits of reported strategies for fabricating textured zinc,and offers constructive suggestions for the large-scale production and commercial application of aqueous ZIBs.展开更多
All-inorganic CsPbBr_(3)perovskite solar cells(PSCs)have attracted more attentions due to the excellent environmental stability,however,the wide bandgap and relatively poor crystallinity of CsPbBr_(3)have been the mai...All-inorganic CsPbBr_(3)perovskite solar cells(PSCs)have attracted more attentions due to the excellent environmental stability,however,the wide bandgap and relatively poor crystallinity of CsPbBr_(3)have been the main obstacle to improve their power conversion efficiency(PCE).Herein,we proposed an efficient and simple strategy of precursor additive in the two-step aqueous-solution method,the resulted CsPbBr_(3)film has achieved more uniform grain size,almost pure perovskite phase,smoother surface,less defects,enhanced light absorption and longer carrier lifetime.This is due to the rapid evaporation of additive(IPA and CH_(3)OH)in the CsBr/H_(2)O precursor leads to a relatively higher local CsBr concentration on the surface of PbBr_(2),which can provide more nucleation sites and accelerate the crystallization of perovskite.Further,when utilizing the optimal additive of 5%(in volume)IPA,the HTM-free carbonbased CsPbBr_(3)PSCs obtained a PCE improvement from 9.09%to 10.29%,and an ultrahigh fill factor(FF)of 85.21%.What is more,by adding 0.1 mol/L PbCl_(2)into the PbBr_(2)solution in the first step,the open circuit voltage of device has increased from 1.36 V to 1.48 V,the champion PCE reached 10.37%(steady output PCE of 10.17%),and the non-encapsulated device could maintain 85%of its initial efficiency after 50 d in the air.This work provides a cost-effective approach to grow CsPbBr_(3)film and boosts the efficiency benchmark of the CsPbBr_(3)PSCs to more than 10%,it is desirable that the highly efficient and stable CsPbBr_(3)PSCs can be developed in future.展开更多
文摘Cu nanoparticles were prepared by reducing Cu2+ ions with ascorbic acid through aqueous solution reduction method. The effects of solution pH and average size of Cu2O particles on the preparation of Cu nanoparticles were investigated. Cu particles were prepared at pH 3, 5 or 7, with the smallest Cu particles obtained at pH 7. However, Cu particles could not be prepared at pH 9 or 11. The average size of Cu2O particles can affect that of Cu particles. Larger Cu2O particles result in larger Cu particles. In addition, experiments were conducted to explore the reaction process by measuring the X-ray diffraction (XRD) patterns of specimens collected at different time points during the reaction. It was found that Cu(OH)2 was initially formed as a precursor, followed by the formation of Cu2O, which was finally reduced to Cu particles.
文摘The preparation of Cu nanoparticles by the aqueous solution reduction method was investigated. The effects of different reaction parameters on the preparation of Cu nanoparticles were studied. The optimum conditions for preparing well-dispersed nanoparticles were found as follows: 0.4 mol/L NaBH4 was added into solution containing 0.2 mol/L Cu2+, 1.0% gelatin dispersant in mass fraction, and 1.2 mol/L NH3?H2O at pH 12 and 313 K. In addition, a series of experiments were performed to discover the reaction process. NH3?H2O was found to be able to modulate the reaction process. At pH=10, Cu2+ was transformed to Cu(NH3)42+ as precursor after the addition of NH3?H2O, and then Cu(NH3)42+ was reduced by NaBH4 solution. At pH=12, Cu2+ was transformed to Cu(OH)2 as precursor after the addition of NH3?H2O, and Cu(OH)2 was then reduced by NaBH4 solution.
文摘Cu nanoparticles were prepared by reducing Cu2+ ions with NaBH4 in alkaline solution. The effects of NaBH4 concentration and dripping rate on the formation of Cu nanoparticles were studied. The optimum conditions are found to be 0.2 mol/L Cu2+, solution with pH=12, temperature of 313 K and 1% gelatin as dispersant, to which 0.4 mol/L NaBH4 is added at a dripping rate of 50 mL/min. NH3-H2O is found to be the optimal complexant to form the Cu precursor. A series experiments were conducted to study the reaction process at different time points.
基金This work was supported by the 973 National Basic Research Program of China (2003CB415002)the China Postdoctoral Science Foundation (No. 2003033486)
文摘Optimization calculations of 209 polychlorinated biphenyls (PCBs) were carried out at the B3LYP/6-31G^* level. It was found that there is significant correlation between the Cl substitution position and some structural parameters. Consequently, Cl substitution positions were taken as theoretical descriptors to establish a novel QSPR model for predicting –lgSw of all PCB congeners. The model achieved in this work contains four variables, of which r^2 = 0.9527, q^2 = 0.9490 and SD = 0.25 with large t values. In addition, the variation inflation factors (VIFs) of variables in this model are all less than 5.0, suggesting high accuracy of the –lgSw predicting model. And the results of cross-validation test and method validation also show that the model exhibits optimum stability and better predictive capability than that from the AM1 method.
基金This work was supported by the National Natural Science Foundation of China (No. 20737001)(2003CB415002)China Postdoctoral Science Foundation (No. 2003033486)
文摘Optimized calculations of 75 PCDDs and their parent DD were carded out at the B3LYP/6-31G* level by density functional theory (DFT) method. The structural parameters were obtained and significant correlation between the C1 substitution position and some structural parameters was found. Consequently, the number of C1 substitution positions was taken as theoretical descriptors to establish two novel QSPR models for predicting lgKow and -lgSw of all PCDD congeners. The two models achieved in this work contain two variables (Na and Nβ), of which r = 0.9312, 0.9965 and SD = 0.27, 0.12 respectively, and t values are all large. The variation inflation factors (VIF) of variables in the two models herein are both less than 5.0, suggesting high accuracy of the lgKow and -lgSw predicting models, and the results of cross-validation test also show that the two models exhibit optimum stability and good predictive power. By comparison, the correlation and predictive ability of the present work are more advantageous than those obtained using semi-empirical AM1 and GC-RI methods.
基金funded by the 973 National Basic Research Program of China (2003CB415002)China Postdoctoral Science Foundation (No. 2003033486)
文摘Optimized calculations of 209 polychlorinated diphenyl ethers (PCDEs) and diphenyl ethers were carried out at the B3LYP/6-31G^* level with the Gaussian 98 program. Based on the theoretical linear solvation energy relationship (TLSER) model, the obtained structural parameters were taken as theoretical descriptors to establish the novel QSPR model for predicting aqueous solubility (-lgSw) of PCDEs. The model obtained in this work contains two variables: mean molecular polarizability (a) and the most positive partial charge on a hydrogen atom (qH^+), of which RE = 0.9606 and SD = 0.32. And the results of cross-validation test also show that the model exhibits optimum stability and better predictive power. Moreover, the predictive power of the new model is better than that of MCIs method.
基金supported by the National Natural Science Foundation of China(Grant No.52272225)Independent deployment project of Qinghai Institute of Salt Lakes,Chinese Academy of Sciences(E260GC0401).
文摘Aqueous sodium-ion batteries have attracted extensive attention for large-scale energy storage applications,due to abundant sodium resources,low cost,intrinsic safety of aqueous electrolytes and eco-friendliness.The electrochemical performance of aqueous sodium-ion batteries is affected by the properties of electrode materials and electrolytes.Among various electrode materials,Mn-based electrode materials have attracted tremendous attention because of the abundance of Mn,low cost,nontoxicity,eco-friendliness and interesting electrochemical performance.Aqueous electrolytes having narrow electrochemical window also affect the electrochemical performance of Mn-based electrode materials.In this review,we introduce systematically Mn-based electrode materials for aqueous sodium-ion batteries from cathode and anode materials and offer a comprehensive overview about their recent development.These Mn-based materials include oxides,Prussian blue analogues and polyanion compounds.We summarize and discuss the composition,crystal structure,morphology and electrochemical properties of Mn-based electrode materials.The improvement methods based on electrolyte optimization,element doping or substitution,optimization of morphology and carbon modification are highlighted.The perspectives of Mn-based electrode materials for future studies are also provided.We believe this review is important and helpful to explore and apply Mn-based electrode materials in aqueous sodium-ion batteries.
文摘This study explored the extraction process of indigo pigment from Baphicacanthus cusia using aqueous enzymatic method for the first time. Through single factor tests and orthogonal tests, this study investigated the effects of extraction time, extraction temperature, enzyme concentration, pH value, and solidliquid ratio on the extraction rate of indigo pigment. The results showed that the extraction rate of indigo reached the highest(0.218%) when the solid-liquid ratio was 1:20, enzyme concentration was 6 g/L, pH value was 5, extraction temperature was 50℃, and extraction time was 3 h. The method had greatly shortened the extraction time, simplified the extraction process, and improved the extraction efficiency while producing little pollution and meeting the green environmental protection requirements.
文摘An aqueous sol-gel method for the synthesis of γ-Al2O3 supports has been developed for the use in tar reforming applications. It was determined the influences of two different aluminum precursors (aluminum sec-butoxide (Al[OCH(CH3)CH2CH3]3) and aluminum nitrate (Al(NO3)3)) on the textural and crystallographic properties of Al2O3 supports. Only the formation of γ-Al2O3 is aimed in order to use these alumina materials as catalytic supports, because it presents high specific surface area and pore volume values. Additionally, the synthesis of γ-Al2O3 was realized with the use of a functionalized silicon precursor, [3-(2-aminoethylamino)propyl]trimethoxysilane, called EDAS. By the presence of an ethylenediamine group in this molecule, it is possible to chelate metallic ions and to highly increase their dispersion at a molecular level during the synthesis of metallic catalysts supported on alumina, which is an asset for catalytic applications. So it was developed a synthesis sol-gel procedure for the cogelation between the functionalized silicon alkoxide EDAS and alumina precursor. The alumina supports synthesized with Al(NO3)3 as precursor presented higher porous values than the ones obtained with aluminium sec-butoxide precursor. Since nitrate salts are much easier to handle than alkoxides, these observations allowed validating Al(NO3)3 as aluminum source for the future synthesis procedures for metallic catalysts supported on alumina.
文摘The procedure of enzymatic aqueous extraction of soybean oil was assessed when two-step controlled enzymatic hydrolysis was applied. With aqueous extraction of soybean oil-containing protein, the highest yield of oil was 96.1% at the optimized conditions studied. Soybean oil-containing protein was hydrolyzed and resulted in releasing part of oil. The separated protein that contained 40% oil was enriched due to its adsorption capacity of released oil, the average oil extraction yeild reached 93.5%. Then the high oil content protein was hydrolyzed again to release oil by enzyme, the oil extraction yeild was 80.4%. As a result, high quality of soybean oil was obtained and the content of total oil yield was 74.4%.
文摘Taken kiwi fruit as raw material, this paper extracted kiwi fruit seed oil with ultrasonic-assisted enzyme, researched the influence of factors such as liquid-to-solid ratio, granularity, type of enzyme, ultrasonic power, treating time, enzymolysis temperature, enzymolysis time, pH and enzyme additive on oil extraction, and optimized the extracting technology of kiwi fruit seed oil with response surface method. The result shows that the best technical parameter is: material granularity: 60, liquid-to-solid ratio: 1:10 (g/mL), ultrasonic power: 400 W, treating time: 30 min, enzyme amount: 2.50%, pH: 9.2, enzymolysis temperature: 53°C, enzymolysis time: 2.80 h;and the extracting ratio under such condition is 92.57%.
文摘The solubility of alloxazine in aqueous solution at pH 4 (10–4 molar HCl) and pH 10 (10–4 molar NaOH) at room temperature is determined by absorption spectroscopic characterization. Knowledge of the solubility is needed for sample preparation and quantitative spectroscopic solution characterization. Samples of different in-weight concentration were prepared and absorption spectra were measured versus storage time. The solubility limit concentration Csol was determined by the crossing point of the linearized absorption coefficient dependences on in-weight preparation concentration below and above the solubility limit. Values of Csol= 9.05 ± 1 μM and 14.5 ± 1 μM were determined for alloxazine in aqueous solution at pH 4 and pH 10, respectively.
文摘New technologies for iodine separation and recovery are required to decrease environmental pollution and improve iodine production. Separation and recovery of iodine (I2) in aqueous solution was achieved using permeation and chemical desorption (PCD) with a silicone rubber membrane (SRM). The SRM separated an aqueous feed solution from an alkaline or reducing recovery solution such as a mixture of sodium hydrate and sodium sulfate. The I2 crossed the membrane from the aqueous feed solution into the recovery solution, where it was converted into iodide (I–). Iodide in the recovery solution did not return to the feed solution across the SRM. An acidic feed solution promoted a high recovery of iodine. The permeation process followed first-order kinetics, allowing the overall mass-transfer coefficient and parameters related to permeation of I2 through the SRM to be determined. Permeability of I2 increased with temperature, and the apparent activation energy (Ea) for penetration of I2 through the SRM was determined. The value of Ea for I2 was of the same order of magnitude as those for phenols and anilines. The large membrane/aqueous distribution coefficient for I2 indicated that I2 had a high affinity toward the SRM. These results indicate that the PCD method is effective and powerful for separation and recovery of iodine from aqueous solutions.
文摘Objective:To achieve a primary pharmacological screening contained in the aqueous extract of Berberis vulgaris(B.vulgaris) and to examine the hypoglycaemic effect and biochemical parameters of aqueous and saponins extract on groups of rats rendered diabetic by injection of streptozotocin.Methods:The phytochemicol tests to detect the presence of different compounds were based on the visual observation of color change or formation of precipitate after the addition of specific reagents.Diabetes was induced in rats by intraperitoneal(i.p.) injection of streptozotocin(STZ) at a dose of 65 mg/kg bw.The fasting blood glucose levels were estimated by glucose oxidase-peroxidase reactive strips(Dextrostix,Bayer Diagnostics).Blood samples were taken by cutting the tip of the tail.Serum cholesterol and serum triglycerides were estimated by enzymatic DHBS colorimetric method.Results:Administration of 62.5 and 2S.0 mg/kg of saponins and aqueous extract respectively in normal rats group shows a significant hypoglycemic activity(32.33%and 40.17%respectively) during the first week.However,diabetic group treated with saponin extract produced a maximum fall of 73.1%and 76.03%at day 1 and day 21 compared to the diabetics control.Also,blood glucose levels of the diabetic rats treated with aqueous extract showed decrease of 78.79%on the first day and the effect remains roughly constant during 3 week. Both extracts also declined significantly biochemical parameters(20.77%-49.00%).The control in the loss of body weight was observed in treated diabetic rats as compared to diabetic controls. Conclusions:These results demonstrated significant antidiabetic effects and showed that serum cholesterol and serum triglycerides levels were decreased,significantly,consequently this plant might be of value in diabetes treatment.
基金supported by the National Natural Science Foundation of China(51672099,21403079)Sichuan Science and Technology Program(2019JDRC0027)Fundamental Research Funds for the Central Universities(2017-QR-25)~~
文摘Crystalline carbon nitride(CCN)prepared by a molten-salt method is attracting increased attention because of its promising properties and excellent photocatalytic activity.In this work,we further improve the crystallinity of CCN through synthesis by the molten-salt method under the action of aqueous hydrochloric acid(HCl)solution.Our results showed that the crystallinity of the as-prepared samples increased with increasing HCl concentration and reached the maximum value at 0.1 mol L^-1.This can be attributed to the removal of some potassium ions(K+)from the terminal amino groups of CCN by the aqueous HCl solution,which results in a release of the polymerization sites.As a result,the crystallinity of the as-prepared samples further increased.Moreover,the obtained 0.1 highly crystalline carbon nitride(0.1HCCN;treated with 0.1 mol L^-1 aqueous HCl solution)exhibited an excellent photocatalytic hydrogen evolution of 683.54μmol h^-1 g^-1 and a quantum efficiency of 6.6%at 420 nm with triethanolamine as the sacrificial agent.This photocatalytic hydrogen evolution was 2 and 10 times higher than those of CCN and bulk carbon nitride,respectively.The enhanced photocatalytic activity was attributed to the improved crystallinity and intercalation of K+into the xHCCN interlayer.The improved crystallinity can decrease the number of surface defects and hydrogen bonds in the as-prepared sample,thereby increasing the mobility of the photoinduced carriers and reducing the recombination sites of the electron-hole pairs.The K+intercalated into the xHCCN interlayer also promoted the transfer of the photoinduced electrons because these ions can increase the electronic delocalization and extend theπ-conjugated systems.This study may provide new insights into the further development of the molten-salt method.
文摘In order to reduce the fluctuation of LIBS detection spectrum of liquid sample,the full-spectrum sum method and the internal standardization method is adopted,using an equal-RSD normalization algorithm to calibrate the detection spectrum.Experiment result shows that the full-spectrum sum method reduced the RSD of parallel samples of Cd and Cr to 9.4% and 11.06% from 28.32% and 31.93% respectively,yielded better overall calibration than the singleelement internal standardization approach,thereby suggesting that the former method is convenient and effective for online calibration of LIBS for detection of aqueous heavy metals.
基金the National High-tech R&D Program of China(863 Program)(grant number 2013AA102104)the open-end fund from the Key Laboratory of Soybean Biology of Chinese Education Ministry,Northeast Agricultural University(grant numberSB12C01)+1 种基金the Special Fund for the Establishment of Modern Agricultural R&D Systems(grant number nycytx-004)the National Research Center of Soybean Engineering and Technology,and the Northeast Agricultural University for the support of this project
文摘A novel method using ethanol and ultrasound to extract oil from cream obtained from enzyme-assisted aqueous extraction of soybean oil was developed.To evaluate the relationships between operating variables and free oil yield and to maximize the free oil yield,response surface methodology was introduced in this work.The developed regression model was fitted with R2=0.9591.Optimized variables were:ethanol concentration of73%,ethanol addition volume of 0.55 L/kg,ultrasound power of 427 W,ultrasound time of 47 s,and ultrasound temperature of 53℃.The free oil yield from the cream under the above conditions was 92.6±3.4%.Scanning electron microscopy(SEM)was used to evaluate the effect of ultrasonic treatment on ethanoltreated cream,and the SEM images clearly showed that the ultrasound treatment affected dispersing and fracturing of the microstructure of ethanol-treated cream.
基金This work was supported by National Key Research and Development Program of China(No.2021YFB2500100)National Natural Science Foundation of China[Grant No.51872196 and 22109114],the Carbon Peaking and Carbon Neutrality Technology Innovation Special Fund of Jiangsu Province(Grant number:BE2022041)Open Foundation of Shanghai Jiao Tong University Shaoxing Research Institute of Renewable Energy and Molecular Engineering(Grant number:JDSX2022023).
文摘With their intrinsic safety and environmental benignity,aqueous Zn-ion batteries(ZIBs)have been considered the most appropriate candidates for replacing alkali metal systems.However,polycrystalline Zn anodes in aqueous environments still pose enormous issues,such as dendrite growth and side reactions.Although many efforts have been made to address these obstacles through interphase modification and electrolyte design,researchers have not been able to improve the inherent thermodynamic stability and ion deposition behavior of the Zn anode.It is imperative to understand and explore advanced anode construction methods from the perspective of crystallinity.This review delves into the feasibility of precisely regulating the crystallographic features of metallic zinc,examines the challenges and merits of reported strategies for fabricating textured zinc,and offers constructive suggestions for the large-scale production and commercial application of aqueous ZIBs.
基金the National Natural Science Foundation of China under Grants 62004151,62274126 and 62204189the Special Financial Grant from the China Postdoctoral Science Foundation under Grant 2020T130490+1 种基金Young Talent Fund of Association for Science and Technology in Shaanxi under Grant 20220115Fundamental Research Funds for the National 111 Center.
文摘All-inorganic CsPbBr_(3)perovskite solar cells(PSCs)have attracted more attentions due to the excellent environmental stability,however,the wide bandgap and relatively poor crystallinity of CsPbBr_(3)have been the main obstacle to improve their power conversion efficiency(PCE).Herein,we proposed an efficient and simple strategy of precursor additive in the two-step aqueous-solution method,the resulted CsPbBr_(3)film has achieved more uniform grain size,almost pure perovskite phase,smoother surface,less defects,enhanced light absorption and longer carrier lifetime.This is due to the rapid evaporation of additive(IPA and CH_(3)OH)in the CsBr/H_(2)O precursor leads to a relatively higher local CsBr concentration on the surface of PbBr_(2),which can provide more nucleation sites and accelerate the crystallization of perovskite.Further,when utilizing the optimal additive of 5%(in volume)IPA,the HTM-free carbonbased CsPbBr_(3)PSCs obtained a PCE improvement from 9.09%to 10.29%,and an ultrahigh fill factor(FF)of 85.21%.What is more,by adding 0.1 mol/L PbCl_(2)into the PbBr_(2)solution in the first step,the open circuit voltage of device has increased from 1.36 V to 1.48 V,the champion PCE reached 10.37%(steady output PCE of 10.17%),and the non-encapsulated device could maintain 85%of its initial efficiency after 50 d in the air.This work provides a cost-effective approach to grow CsPbBr_(3)film and boosts the efficiency benchmark of the CsPbBr_(3)PSCs to more than 10%,it is desirable that the highly efficient and stable CsPbBr_(3)PSCs can be developed in future.