Information on the distribution patterns of soil water content (SWC), soil organic matter (SOM), and soil exchangeable cations (SEC) is important for managing forest ecosystems in a sustainable manner. This stud...Information on the distribution patterns of soil water content (SWC), soil organic matter (SOM), and soil exchangeable cations (SEC) is important for managing forest ecosystems in a sustainable manner. This study investigated how SWC, SOM, and SEC were influenced in forests along a successional gradient, including a regional climax (monsoon evergreen broad-leaved forest, or MEBF), a transitional forest (coniferous and broad-leaved mixed forest, or MF), and a pioneer forest (coniferous Masson pine (Pinus rnassoniana) forest, or MPF) of the Dinghushan Biosphere Reserve in the subtropical region of southern China. SWC, SOM, and SEC excluding Ca^2+ were found to increase in the soil during forest succession, being highest in the top soil layer (0 to 15 cm depth) except for Na^+. The differences between soil layers were largest in MF. This finding also suggested that the nutrients were enriched in the topsoil when they became increasingly scarce in the soil. There were no significant differences (P = 0.05) among SWC, SOM, and SEC. A linear, positive correlation was found between SWC and SOM. The correlation between SOM and cation exchange capacity (CEC) was statistically significant, which agreed with the theory that the most important factor determining SEC is SOM. The ratio of K^+ to Na^+ in the topsoil was about a half of that in the plants of each forest. MF had the lowest exchangeable Ca^2+ concentration among the three forests and Ca^2+:K^+ in MPF was two times higher than that in MF. Understanding the changes of SWC, SOM, and CEC during forest succession would be of great help in protecting all three forests in southern China.展开更多
The effects of alkaline cations (M^+ = Li^+, Na^+, K^+, Cs^+)on the electrochemical synthesis of polyaniline were carfled out under cyclovoltammetric conditions using nitrates of Li^+, Na^+, K^+, and Cs^+ a...The effects of alkaline cations (M^+ = Li^+, Na^+, K^+, Cs^+)on the electrochemical synthesis of polyaniline were carfled out under cyclovoltammetric conditions using nitrates of Li^+, Na^+, K^+, and Cs^+ as the supporting electrolytes. The results show that the oxidation potentials of aniline in the electrolytes decrease as the protonation extent of aniline decreases from the fast scan, which is caused by the decrease of the ionic radius of alkaline metal ions at the same concentration of alkaline cations. With the scan number increasing, the deposit charge Q as the characteristic growth function also depends on the protonation of aniline, and it increases with the ionic radius of alkaline cations increasing. SEM images show the effect of alkaline cations on the morphology of polyaniline. It is clear that the ionic mobility of alkaline cations is further lower than that of W. Alkaline cations and counter-ions were the species responsible for the enhancement of Pani electrosynthesis. Therefore, this is exactly what SEM images show: a relatively rough fibrous structure in the case of Pani-H^+ suggesting a sponge-like structure and a highly orderly fiber-like structure in the case of Pani-M^+.展开更多
It is well-known that the electrolytes can influence the electrochemical reduction of carbon dioxide(ERCO2)in aqueous media.In this work,we explore the effects of alkali metal cations and anions(Li^+,Na^+,K^+,Rb^+,Cs^...It is well-known that the electrolytes can influence the electrochemical reduction of carbon dioxide(ERCO2)in aqueous media.In this work,we explore the effects of alkali metal cations and anions(Li^+,Na^+,K^+,Rb^+,Cs^+,HCO3^-,Cl^-,Br^-,I^-)on the current density and product selectivity for the ERCO2 into formic acid(HCOOH)on the SnO2/carbon paper(Sn O2/C)electrode.Results of the ERCO2 experiments show that for the cations,the promotion effects on current density and faradaic efficiencies(FEs)are in the order of Li^+b Na^+b K^+b Cs^+b Rb^+.For the anions,the current density values are in the order of Na HCO3 b NaClb Na Br b Na I and KHCO3 b KCl≈KI b KBr,respectively,and that on the FEs for the formation of the HCOOH(FEHCOOH)is HCO3-b Cl-b Br-b I-.Based on this result,the effects of alkali metal cations and anions on ERCO2 are discussed.展开更多
The self-aldol condensation of aldehydes was investigated with rare-earth cations stabilized by[Si]Beta zeolites in parallel with bulk rare-earth metal oxides.Good catalytic performance was achieved with all Lewis aci...The self-aldol condensation of aldehydes was investigated with rare-earth cations stabilized by[Si]Beta zeolites in parallel with bulk rare-earth metal oxides.Good catalytic performance was achieved with all Lewis acidic rare-earth cations stabilized by zeolites and yttrium appeared to be the best metal choice.According to the results of several complementary techniques,i.e.,temperature-programmed surface reactions,in situ diffuse reflectance infrared Fourier transform spectroscopy,ultraviolet-visible diffuse reflectance spectroscopy,the reaction pathway and mechanism of the aldehyde self-aldol condensation over Y/Beta catalyst were studied in more detail.Density functional theory calculations revealed that aldol dehydration was the rate-limiting step.The hydroxyl group at the open yttrium site played an important role in stabilizing the transition state of the aldol dimer reducing the energy barrier for its hydration.Lewis acidic Y(OSi)(OH)2 stabilized by zeolites in open configurations were identified as the preferred active sites for the self-aldol condensation of aldehydes.展开更多
This paper determined cations and anions concentrations, Total Kjeldahl Nitrogen (TKN), and heavy metals content in sewage sludge collected from the drying beds of wastewater treatment plant in Gaza. The aim was to te...This paper determined cations and anions concentrations, Total Kjeldahl Nitrogen (TKN), and heavy metals content in sewage sludge collected from the drying beds of wastewater treatment plant in Gaza. The aim was to test the possibility of using this sewage sludge as an alternative source of mineral fertilizers. Many instruments were used in this work: flame photometry (K, Na), EDTA titration (Ca, Mg), the turbidity method () , spectrophotometer (turbidity), ascorbic acid method (orthophosphate), titrimetric method (Cl﹣), inductive coupled plasma analyzer (ICP, heavy metals). All the processes of experiments and analyses were described clearly for reference. Results showed that concentrations of Na﹢, K﹢, Ca2﹢ and Mg2﹢ were 28.93, 2.53, 271 and 177 mg/kg respectively whereas? were 0.434, 18.59, 0.87 and 0.026 g/kg respectively. The concentrations of Fe, Cu, Pb, Zn and Mn were 125.12, 172.56, 76.88, 218.73 and 157.56 mg/kg respectively. These results indicate that sewage sludge from Gaza contained high fractions of most plant nutrients accordingly, and it may be advantageous to use the sludge as a natural source of plant fertilizers.展开更多
High rainfall in subtropical regions can leach cation elements from ecosystems,which may limit plant growth.Plants often develop efficient resorption patterns to recycle elements,but there is relatively little availab...High rainfall in subtropical regions can leach cation elements from ecosystems,which may limit plant growth.Plants often develop efficient resorption patterns to recycle elements,but there is relatively little available information on this topic.In February 2012,a common garden was established in a subtropical forest by planting dominant trees from the area.Green and senescent leaves were sampled from 11 tree species.The concentrations of potassium(K),calcium(Ca),sodium(Na)and magnesium(Mg)were determined,and the resorption efficiencies were calculated.The results showed significant K,Na and Mg resorption in most of the investigated tree species,while Ca mainly displayed accumulation.Evergreen coniferous and evergreen broad-leaved trees(such as Cunninghamia lanceolata,Pinus massoniana,Cinnamomum camphora,and Michelia macclurei)exhibited relatively higher resorption efficiencies of K(39.0%-87.5%)and Na(18.3%-50.2%)than deciduous broad-leaved trees.Higher Mg resorption efficiencies(>50%)were detected in Liriodendron chinense,C.lanceolata and P.massoniana than in other trees.Overall,evergreen coniferous and evergreen broad-leaved trees could show higher cation resorption than deciduous broad-leaved trees.K and Mg resorption efficiencies and Ca accumulation decrease with increasing nutrient concentrations in green leaves.Our results emphasize that nutrient resorption patterns largely depend on elements and plant functions,which provides new insights into the nutrient use strategies of subtropical plants and a reference for the selection of suitable tree species in this region.展开更多
Modification of transition metal cations to polymer-stabilized Pt colloidal clusters modified with cinchonidine was studied in enantioselective hydrogenation of methyl pyruvate.Compared to the enantiomeric excess(e.e....Modification of transition metal cations to polymer-stabilized Pt colloidal clusters modified with cinchonidine was studied in enantioselective hydrogenation of methyl pyruvate.Compared to the enantiomeric excess(e.e.)value(71.4%) obtained without the presence of metal cations,obvious e.e.enhancement(up to 82.5%)was resulted from the addition of Zn^(2+) but with a certain decrease in activity.The reaction parameters in the presence of Zn^(2+) were also studied.It was found that the Pt colloidal catalysts in the presence of metal cations performed very differently from that in the absence of metal cations.展开更多
The condensation of DNA induced by spermine is studied by atomic force microscopy (AFM) and molecular dynamics (MD) simulation in this paper. In our experiments, an equivalent amount of multivalent cations is adde...The condensation of DNA induced by spermine is studied by atomic force microscopy (AFM) and molecular dynamics (MD) simulation in this paper. In our experiments, an equivalent amount of multivalent cations is added to the DNA solutions in different numbers of steps, and we find that the process of DNA condensation strongly depends on the speed of adding cations. That is, the slower the spermine cations are added, the slower the DNA aggregates. The MD and steered molecular dynamics (SMD) simulation results agree well with the experimental results, and the simulation data also show that the more steps of adding multivalent cations there are, the more compact the condensed DNA structure will be. This investigation can help us to control DNA condensation and understand the complicated structures of DNA--cation complexes.展开更多
This highlight indicates that the local electrostatic interactions between metal cations and key intermediates facilitate the electrocatalytic CO_(2) reduction reaction.Electrocatalytic CO_(2) reduction reaction(CO_(2...This highlight indicates that the local electrostatic interactions between metal cations and key intermediates facilitate the electrocatalytic CO_(2) reduction reaction.Electrocatalytic CO_(2) reduction reaction(CO_(2)RR)has been considered as a promising strategy to achieve a carbon-neutral cycle and produce valuable fuels and feedstocks.展开更多
Capillary zone electrophoresis (CZE) is a sensitive and rapid technique for determining traces of inorganic cations in water samples. CZE with indirect UV-diode array detection (CZE-DAD) was utilized to identify sever...Capillary zone electrophoresis (CZE) is a sensitive and rapid technique for determining traces of inorganic cations in water samples. CZE with indirect UV-diode array detection (CZE-DAD) was utilized to identify several inorganic cations in natural, potable, and wastewater samples. A pH 4.35 background electrolyte system was employed and consisted of 15 mM imidazole, 8 mM malonic acid, 2 mM 18-crown-6 ether as complexing agents, 10% v/v methanol as an organic modifier with indirect absorbance reference at 214 nm. The CZE method involved electromigration injection at 5 kV for 5 s, a separation voltage of 20 kV at 25℃, and a detection wavelength of 280 nm. Six main cations (ammonium , potassium K+, calcium Ca2+, sodium Na+, magnesium Mg2+, and lead Pb2+) were tested, and all but lead, were detected in the water samples at concentrations between 0.03 and 755 ppm with a detection limit ranging between 0.023 and 0.084 ppm. The successful evaluation of the proposed methodology allowed us to reliably detect and separate six metal ions in different water samples without any pretreatment. All water samples were collected from Northern New York towns and the Raquette River water system, the third longest river in New York State and the largest watershed of the central and western Adirondacks.展开更多
Al-Mn-pillared montmorillonite(AMPM) was prepared by using the artificial Na-montmoril-lonite from the Qingfengshan bentonite mine as starting materials mixed with Al-Mn pillaring solutions at different Al/Mn molar ra...Al-Mn-pillared montmorillonite(AMPM) was prepared by using the artificial Na-montmoril-lonite from the Qingfengshan bentonite mine as starting materials mixed with Al-Mn pillaring solutions at different Al/Mn molar ratios (R). The basal spacing and specific surface area of the materials were increased significantly compared with untreated clays. When R = 0.5, the d (001) value and specific surface area of pillared montmoril-lonite were 1.8987 ran and 146.01 m2 g-1, respectively. The thermal stability was determined using calcined tests , X-ray diffraction ( XRD ) analysis, thermal gravimetry and differential thermal analysis (TG - DTA). The materials formed at initial R = 0.5 exhibited a high stability, the basal interlayer spacing was stabilized at 1.7859 nm after calcined for 2 h at 300℃. The adsorption behavior of the materials was studied by adsorption experiments. The results show the AMPM and calcined Al-Mn-pillared montmorillonite ( CAMPM) exhibit a strong capacity of adsorbing the Zn(Ⅱ) in aqueous solution at pH 10.0.展开更多
The frontier orbital energies of montmorillonite molecule and[Me(H_(2)O)_(6)]^(2+)(Me=Cu^(2+),Zn^(2+),Co^(2+)and Ni^(2+))were calculated by INDO method.Results showed that the chemical interaction between montmorillon...The frontier orbital energies of montmorillonite molecule and[Me(H_(2)O)_(6)]^(2+)(Me=Cu^(2+),Zn^(2+),Co^(2+)and Ni^(2+))were calculated by INDO method.Results showed that the chemical interaction between montmorillonite molecule and[Cu(H_(2)O)_(6)]^(2+)or[Zn(H_(2)O)_(6)]^(2+)was possible.The experimental results of powder X-ray diffraction and isothermal adsorption supported the above-mentioned calculation results.展开更多
The effects of mono-valent cations, Li^+, K^+, Rb^+, Cs^+ and NH_4^+, on ^(23)Na NMR were investigated. It was found that the chemical shifts for Na^+ signal shifted downfield with the increase in the relative amounts...The effects of mono-valent cations, Li^+, K^+, Rb^+, Cs^+ and NH_4^+, on ^(23)Na NMR were investigated. It was found that the chemical shifts for Na^+ signal shifted downfield with the increase in the relative amounts of monovalent cations. It was suggested that mono-valent cations had competition coordination with Na^+ for Dy(PPP)_2^(7-).展开更多
Molecular dynamics simulation was utilized to investigate the transport and adsorption of chloride in the nanopore of calcium aluminosilicate hydrate(C-A-S-H)with associated cation types of Ca,Mg,Na and K.The local io...Molecular dynamics simulation was utilized to investigate the transport and adsorption of chloride in the nanopore of calcium aluminosilicate hydrate(C-A-S-H)with associated cation types of Ca,Mg,Na and K.The local ionic structure,atomic dynamics and bond stability were analyzed to elucidate the interaction between cations and chloride ions.The results show that interfacial chloride is absorbed through the ion pairing formation in the vicinity of C-A-S-H substrate.Interfacial cations can simultaneously interact aluminosilicate chains,water molecules and Cl^(-)ions,which restrict the motion of interfacial Cl^(-)ions.Pore solution chloride can be immobilized through the solvation effect of cations.Cations along with their hydration shell can connect to neighboring Cl^(-)ions to decrease their mobility.Owing to the varied ionic chemistry,cations show different interaction strength with neighboring water molecules and anions,which determines the chloride transport behavior in the nanopore of C-A-S-H.The chloride immobilization capacity of C-A-S-H nanopore with different associated cations is listed in following order:Mg^(2+)Ca^(2+)<Na^(+)≈K^(+),which agrees reasonably with previous experiments.展开更多
Using molecular dynamics simulations and atomic force microscopy (AFM), we study the decondensation process of DNA chains induced by multivalent cations at high salt concentrations in the presence of short cationic ...Using molecular dynamics simulations and atomic force microscopy (AFM), we study the decondensation process of DNA chains induced by multivalent cations at high salt concentrations in the presence of short cationic chains in solutions. The typical simulation conformations of DNA chains with varying salt concentrations for multivalent cations imply that the concentration of salt cations and the valence of multivalent cations have a strong influence on the process of DNA decondensation. The DNA chains are condensed in the absence of salt or at low salt concentrations, and the compacted conformations of DNA chains become loose when a number of cations and anions are added into the solution. It is explicitly demonstrated that cations can overcompensate the bare charge of the DNA chains and weaken the attraction interactions between the DNA chains and short cationic chains at high salt concentrations. The condensation-decondensation transi- tions of DNA are also experimentally observed in mixing spermidine with X-phage DNA at different concentrations of NaCl/MgCl2 solutions.展开更多
The interaction of tetra- and hexa-coordinated compounds of cytosine(C) and guanine(G) with metal cations Ca(2+), Mg(2+), Mn(2+), Ni(2+), Cu(2+), and Zn(2+) have been calculated by using the B3LYP/6-31G method at the ...The interaction of tetra- and hexa-coordinated compounds of cytosine(C) and guanine(G) with metal cations Ca(2+), Mg(2+), Mn(2+), Ni(2+), Cu(2+), and Zn(2+) have been calculated by using the B3LYP/6-31G method at the 6-31G(d, p) basis set, while the remaining coordination bonds are saturated by water molecules ((H(2)O)(4)). All geometries were optimized without symmetry restrictions. Comparing the interaction energies we obtained the orders of selectivity of C and G for the above metal ions as follows: (a)Cu(2+)>(a)Ni(2+)>(a)Mg(2+)>(a)Mg(2+)>(b)Cu(2+)>(a)Mn(2+)>(b)Zn(2+)> Ni(2+) and (a)Cu(2+)>(a)Ni(2+> a)Zn(2+)>(a)Mg(2+)>(b)Cu(2+)>(a)Mn(2+)>(b)Zn(2+)>(b)Ni(2+) respectively ((a,b) represent tetra- and hexa-coordinated, respectively), which are in good agreement with the experimental facts. Interaction energies of complexes provide a comparatively reliable quantification of the selectivity of dimethyl phosphate anion for the studied metal ions. In addition, the influence of coordination number and coordination structure on the interaction energy and the variation of ionic energy were discussed sufficiently. After analyzing the interaction energies of two kinds of complexes, the 'mutual selectivity'as well as the nature of the interaction between metal ions and ligands was revealed.展开更多
The effect of metallic cations on the Si-O(br) bond and the Si-O(ter) bond was studied with CNDO/2 MO calculations. The characteristics of them were discussed, which were found to vary with the bonding and coordi nati...The effect of metallic cations on the Si-O(br) bond and the Si-O(ter) bond was studied with CNDO/2 MO calculations. The characteristics of them were discussed, which were found to vary with the bonding and coordi nation situation of oxygen as well as the effect of metallic cations on oxygen. The conclusions obtained may be well used in the fields of mineralogy, geochemistry, silicate materials, pyrometallurgy and so on.展开更多
By means of improved overlapping Muffin-Tin X_a method recently developed the ground state ~2and the first excited state ~2Σ^+ of the XBS^+(X=H,F,Cl)cations are studied.The calculated energies are in good agreement w...By means of improved overlapping Muffin-Tin X_a method recently developed the ground state ~2and the first excited state ~2Σ^+ of the XBS^+(X=H,F,Cl)cations are studied.The calculated energies are in good agreement with experiment.The ionization potentials of sulphi- doborons,XBS(X=H,F,Cl,Br)are also computed and compared with photoelectron spectra re- sults.展开更多
Phenothiazine and i^+s derivatives were oxidized by l_2 and 2,2,6,6-tetrametbyl-4- acetyloxypiperidine oxoammonium hexachloroantimonate to the corresponding radical cations in the cavity of β-cyclodextrins in aqueous...Phenothiazine and i^+s derivatives were oxidized by l_2 and 2,2,6,6-tetrametbyl-4- acetyloxypiperidine oxoammonium hexachloroantimonate to the corresponding radical cations in the cavity of β-cyclodextrins in aqueous solution.The mechanism of electron transfer between substrates and oxidants is discussed in terms of association of β-CDs.展开更多
The carbon chain cations, HC2nO+(n=3-6) are produced via a pulsed laser vaporization supersonic expansion ion source in the gas phase. Their infrared spectra are measured via mass-selected infrared photodissociation s...The carbon chain cations, HC2nO+(n=3-6) are produced via a pulsed laser vaporization supersonic expansion ion source in the gas phase. Their infrared spectra are measured via mass-selected infrared photodissociation spectroscopy of the CO “tagged”[HC2nO·CO]+ cation complexes in 1600-3500 cm-1 frequency range. The geometric and electronic structures of the [HC2nO·CO]+ complexes and the core HC2nO+(n=3-6) cations are determined with the aid of density functional theory calculations. These HC2nO+(n=3-6) ions are identified to be linear carbon chain derivatives terminally capped by hydrogen and oxygen. The triplet ground states are 10-15 kcal/mol lower in energy than the singlet states, indicating cumulene-like carbon chain structures.展开更多
基金Project supported by the National Natural Science Foundation of China (Nos. 30590381-03 and 30570350).
文摘Information on the distribution patterns of soil water content (SWC), soil organic matter (SOM), and soil exchangeable cations (SEC) is important for managing forest ecosystems in a sustainable manner. This study investigated how SWC, SOM, and SEC were influenced in forests along a successional gradient, including a regional climax (monsoon evergreen broad-leaved forest, or MEBF), a transitional forest (coniferous and broad-leaved mixed forest, or MF), and a pioneer forest (coniferous Masson pine (Pinus rnassoniana) forest, or MPF) of the Dinghushan Biosphere Reserve in the subtropical region of southern China. SWC, SOM, and SEC excluding Ca^2+ were found to increase in the soil during forest succession, being highest in the top soil layer (0 to 15 cm depth) except for Na^+. The differences between soil layers were largest in MF. This finding also suggested that the nutrients were enriched in the topsoil when they became increasingly scarce in the soil. There were no significant differences (P = 0.05) among SWC, SOM, and SEC. A linear, positive correlation was found between SWC and SOM. The correlation between SOM and cation exchange capacity (CEC) was statistically significant, which agreed with the theory that the most important factor determining SEC is SOM. The ratio of K^+ to Na^+ in the topsoil was about a half of that in the plants of each forest. MF had the lowest exchangeable Ca^2+ concentration among the three forests and Ca^2+:K^+ in MPF was two times higher than that in MF. Understanding the changes of SWC, SOM, and CEC during forest succession would be of great help in protecting all three forests in southern China.
基金This project was financially supported by the National Natural Science Foundation of China (No. 50274010)the National High-Tech Research and Development Program of China ("863" Program, No. 2002AA-302404).
文摘The effects of alkaline cations (M^+ = Li^+, Na^+, K^+, Cs^+)on the electrochemical synthesis of polyaniline were carfled out under cyclovoltammetric conditions using nitrates of Li^+, Na^+, K^+, and Cs^+ as the supporting electrolytes. The results show that the oxidation potentials of aniline in the electrolytes decrease as the protonation extent of aniline decreases from the fast scan, which is caused by the decrease of the ionic radius of alkaline metal ions at the same concentration of alkaline cations. With the scan number increasing, the deposit charge Q as the characteristic growth function also depends on the protonation of aniline, and it increases with the ionic radius of alkaline cations increasing. SEM images show the effect of alkaline cations on the morphology of polyaniline. It is clear that the ionic mobility of alkaline cations is further lower than that of W. Alkaline cations and counter-ions were the species responsible for the enhancement of Pani electrosynthesis. Therefore, this is exactly what SEM images show: a relatively rough fibrous structure in the case of Pani-H^+ suggesting a sponge-like structure and a highly orderly fiber-like structure in the case of Pani-M^+.
基金financially supported by International Academic Cooperation and Exchange Program of Shanghai Science and Technology Committee(18160723600)Scientific Research and Technology Development Plan of Guangxi(GUIKE AD17195084)。
文摘It is well-known that the electrolytes can influence the electrochemical reduction of carbon dioxide(ERCO2)in aqueous media.In this work,we explore the effects of alkali metal cations and anions(Li^+,Na^+,K^+,Rb^+,Cs^+,HCO3^-,Cl^-,Br^-,I^-)on the current density and product selectivity for the ERCO2 into formic acid(HCOOH)on the SnO2/carbon paper(Sn O2/C)electrode.Results of the ERCO2 experiments show that for the cations,the promotion effects on current density and faradaic efficiencies(FEs)are in the order of Li^+b Na^+b K^+b Cs^+b Rb^+.For the anions,the current density values are in the order of Na HCO3 b NaClb Na Br b Na I and KHCO3 b KCl≈KI b KBr,respectively,and that on the FEs for the formation of the HCOOH(FEHCOOH)is HCO3-b Cl-b Br-b I-.Based on this result,the effects of alkali metal cations and anions on ERCO2 are discussed.
文摘The self-aldol condensation of aldehydes was investigated with rare-earth cations stabilized by[Si]Beta zeolites in parallel with bulk rare-earth metal oxides.Good catalytic performance was achieved with all Lewis acidic rare-earth cations stabilized by zeolites and yttrium appeared to be the best metal choice.According to the results of several complementary techniques,i.e.,temperature-programmed surface reactions,in situ diffuse reflectance infrared Fourier transform spectroscopy,ultraviolet-visible diffuse reflectance spectroscopy,the reaction pathway and mechanism of the aldehyde self-aldol condensation over Y/Beta catalyst were studied in more detail.Density functional theory calculations revealed that aldol dehydration was the rate-limiting step.The hydroxyl group at the open yttrium site played an important role in stabilizing the transition state of the aldol dimer reducing the energy barrier for its hydration.Lewis acidic Y(OSi)(OH)2 stabilized by zeolites in open configurations were identified as the preferred active sites for the self-aldol condensation of aldehydes.
文摘This paper determined cations and anions concentrations, Total Kjeldahl Nitrogen (TKN), and heavy metals content in sewage sludge collected from the drying beds of wastewater treatment plant in Gaza. The aim was to test the possibility of using this sewage sludge as an alternative source of mineral fertilizers. Many instruments were used in this work: flame photometry (K, Na), EDTA titration (Ca, Mg), the turbidity method () , spectrophotometer (turbidity), ascorbic acid method (orthophosphate), titrimetric method (Cl﹣), inductive coupled plasma analyzer (ICP, heavy metals). All the processes of experiments and analyses were described clearly for reference. Results showed that concentrations of Na﹢, K﹢, Ca2﹢ and Mg2﹢ were 28.93, 2.53, 271 and 177 mg/kg respectively whereas? were 0.434, 18.59, 0.87 and 0.026 g/kg respectively. The concentrations of Fe, Cu, Pb, Zn and Mn were 125.12, 172.56, 76.88, 218.73 and 157.56 mg/kg respectively. These results indicate that sewage sludge from Gaza contained high fractions of most plant nutrients accordingly, and it may be advantageous to use the sludge as a natural source of plant fertilizers.
基金The study was supported by grants from National Natural Science Foundation of China(Grants 31800521,31800373 and 31922052).Datasets for this research are included in this paper。
文摘High rainfall in subtropical regions can leach cation elements from ecosystems,which may limit plant growth.Plants often develop efficient resorption patterns to recycle elements,but there is relatively little available information on this topic.In February 2012,a common garden was established in a subtropical forest by planting dominant trees from the area.Green and senescent leaves were sampled from 11 tree species.The concentrations of potassium(K),calcium(Ca),sodium(Na)and magnesium(Mg)were determined,and the resorption efficiencies were calculated.The results showed significant K,Na and Mg resorption in most of the investigated tree species,while Ca mainly displayed accumulation.Evergreen coniferous and evergreen broad-leaved trees(such as Cunninghamia lanceolata,Pinus massoniana,Cinnamomum camphora,and Michelia macclurei)exhibited relatively higher resorption efficiencies of K(39.0%-87.5%)and Na(18.3%-50.2%)than deciduous broad-leaved trees.Higher Mg resorption efficiencies(>50%)were detected in Liriodendron chinense,C.lanceolata and P.massoniana than in other trees.Overall,evergreen coniferous and evergreen broad-leaved trees could show higher cation resorption than deciduous broad-leaved trees.K and Mg resorption efficiencies and Ca accumulation decrease with increasing nutrient concentrations in green leaves.Our results emphasize that nutrient resorption patterns largely depend on elements and plant functions,which provides new insights into the nutrient use strategies of subtropical plants and a reference for the selection of suitable tree species in this region.
基金The project is partially supported by the Natural Science Foundation of Hubei Province Contract(No.2003ABA072)
文摘Modification of transition metal cations to polymer-stabilized Pt colloidal clusters modified with cinchonidine was studied in enantioselective hydrogenation of methyl pyruvate.Compared to the enantiomeric excess(e.e.)value(71.4%) obtained without the presence of metal cations,obvious e.e.enhancement(up to 82.5%)was resulted from the addition of Zn^(2+) but with a certain decrease in activity.The reaction parameters in the presence of Zn^(2+) were also studied.It was found that the Pt colloidal catalysts in the presence of metal cations performed very differently from that in the absence of metal cations.
基金supported by the National Natural Science Foundation of China (Grant Nos. 20974081, 20934004, 21174131, and 21104060)the Zhejiang Provincial Natural Science Foundation of China (Grant No. Y4110357)
文摘The condensation of DNA induced by spermine is studied by atomic force microscopy (AFM) and molecular dynamics (MD) simulation in this paper. In our experiments, an equivalent amount of multivalent cations is added to the DNA solutions in different numbers of steps, and we find that the process of DNA condensation strongly depends on the speed of adding cations. That is, the slower the spermine cations are added, the slower the DNA aggregates. The MD and steered molecular dynamics (SMD) simulation results agree well with the experimental results, and the simulation data also show that the more steps of adding multivalent cations there are, the more compact the condensed DNA structure will be. This investigation can help us to control DNA condensation and understand the complicated structures of DNA--cation complexes.
基金supported by the National Natural Science Foundation of China(22071172).
文摘This highlight indicates that the local electrostatic interactions between metal cations and key intermediates facilitate the electrocatalytic CO_(2) reduction reaction.Electrocatalytic CO_(2) reduction reaction(CO_(2)RR)has been considered as a promising strategy to achieve a carbon-neutral cycle and produce valuable fuels and feedstocks.
文摘Capillary zone electrophoresis (CZE) is a sensitive and rapid technique for determining traces of inorganic cations in water samples. CZE with indirect UV-diode array detection (CZE-DAD) was utilized to identify several inorganic cations in natural, potable, and wastewater samples. A pH 4.35 background electrolyte system was employed and consisted of 15 mM imidazole, 8 mM malonic acid, 2 mM 18-crown-6 ether as complexing agents, 10% v/v methanol as an organic modifier with indirect absorbance reference at 214 nm. The CZE method involved electromigration injection at 5 kV for 5 s, a separation voltage of 20 kV at 25℃, and a detection wavelength of 280 nm. Six main cations (ammonium , potassium K+, calcium Ca2+, sodium Na+, magnesium Mg2+, and lead Pb2+) were tested, and all but lead, were detected in the water samples at concentrations between 0.03 and 755 ppm with a detection limit ranging between 0.023 and 0.084 ppm. The successful evaluation of the proposed methodology allowed us to reliably detect and separate six metal ions in different water samples without any pretreatment. All water samples were collected from Northern New York towns and the Raquette River water system, the third longest river in New York State and the largest watershed of the central and western Adirondacks.
基金Supported by Foundation for University Key Teacher by the Ministry of Education
文摘Al-Mn-pillared montmorillonite(AMPM) was prepared by using the artificial Na-montmoril-lonite from the Qingfengshan bentonite mine as starting materials mixed with Al-Mn pillaring solutions at different Al/Mn molar ratios (R). The basal spacing and specific surface area of the materials were increased significantly compared with untreated clays. When R = 0.5, the d (001) value and specific surface area of pillared montmoril-lonite were 1.8987 ran and 146.01 m2 g-1, respectively. The thermal stability was determined using calcined tests , X-ray diffraction ( XRD ) analysis, thermal gravimetry and differential thermal analysis (TG - DTA). The materials formed at initial R = 0.5 exhibited a high stability, the basal interlayer spacing was stabilized at 1.7859 nm after calcined for 2 h at 300℃. The adsorption behavior of the materials was studied by adsorption experiments. The results show the AMPM and calcined Al-Mn-pillared montmorillonite ( CAMPM) exhibit a strong capacity of adsorbing the Zn(Ⅱ) in aqueous solution at pH 10.0.
文摘The frontier orbital energies of montmorillonite molecule and[Me(H_(2)O)_(6)]^(2+)(Me=Cu^(2+),Zn^(2+),Co^(2+)and Ni^(2+))were calculated by INDO method.Results showed that the chemical interaction between montmorillonite molecule and[Cu(H_(2)O)_(6)]^(2+)or[Zn(H_(2)O)_(6)]^(2+)was possible.The experimental results of powder X-ray diffraction and isothermal adsorption supported the above-mentioned calculation results.
文摘The effects of mono-valent cations, Li^+, K^+, Rb^+, Cs^+ and NH_4^+, on ^(23)Na NMR were investigated. It was found that the chemical shifts for Na^+ signal shifted downfield with the increase in the relative amounts of monovalent cations. It was suggested that mono-valent cations had competition coordination with Na^+ for Dy(PPP)_2^(7-).
基金Funded by the National Natural Science Foundation of China(Nos.52008002,U21A20149,U2006224 and 51978352)the Open Foundation of the State Key Laboratory of Silicate Materials for Architectures(Wuhan University of Technology)(No.SYSJJ2022-22)Anhui Province Engineering Laboratory of Advanced Building Materials(No.JZCL2202ZR)。
文摘Molecular dynamics simulation was utilized to investigate the transport and adsorption of chloride in the nanopore of calcium aluminosilicate hydrate(C-A-S-H)with associated cation types of Ca,Mg,Na and K.The local ionic structure,atomic dynamics and bond stability were analyzed to elucidate the interaction between cations and chloride ions.The results show that interfacial chloride is absorbed through the ion pairing formation in the vicinity of C-A-S-H substrate.Interfacial cations can simultaneously interact aluminosilicate chains,water molecules and Cl^(-)ions,which restrict the motion of interfacial Cl^(-)ions.Pore solution chloride can be immobilized through the solvation effect of cations.Cations along with their hydration shell can connect to neighboring Cl^(-)ions to decrease their mobility.Owing to the varied ionic chemistry,cations show different interaction strength with neighboring water molecules and anions,which determines the chloride transport behavior in the nanopore of C-A-S-H.The chloride immobilization capacity of C-A-S-H nanopore with different associated cations is listed in following order:Mg^(2+)Ca^(2+)<Na^(+)≈K^(+),which agrees reasonably with previous experiments.
基金supported by the National Natural Science Foundation of China(Grant No.31340026)the Natural Science Foundation of Zhejiang Province,China(Grant Nos.Z13F20019 and LQ12E01003)the Science and Technology Project of Zhejiang Science and Technology Department,China(Grant No.2014C31147)
文摘Using molecular dynamics simulations and atomic force microscopy (AFM), we study the decondensation process of DNA chains induced by multivalent cations at high salt concentrations in the presence of short cationic chains in solutions. The typical simulation conformations of DNA chains with varying salt concentrations for multivalent cations imply that the concentration of salt cations and the valence of multivalent cations have a strong influence on the process of DNA decondensation. The DNA chains are condensed in the absence of salt or at low salt concentrations, and the compacted conformations of DNA chains become loose when a number of cations and anions are added into the solution. It is explicitly demonstrated that cations can overcompensate the bare charge of the DNA chains and weaken the attraction interactions between the DNA chains and short cationic chains at high salt concentrations. The condensation-decondensation transi- tions of DNA are also experimentally observed in mixing spermidine with X-phage DNA at different concentrations of NaCl/MgCl2 solutions.
基金This work was supported by the Startup Foundation of Scientific Research for the Elitists introduced into Jinan University
文摘The interaction of tetra- and hexa-coordinated compounds of cytosine(C) and guanine(G) with metal cations Ca(2+), Mg(2+), Mn(2+), Ni(2+), Cu(2+), and Zn(2+) have been calculated by using the B3LYP/6-31G method at the 6-31G(d, p) basis set, while the remaining coordination bonds are saturated by water molecules ((H(2)O)(4)). All geometries were optimized without symmetry restrictions. Comparing the interaction energies we obtained the orders of selectivity of C and G for the above metal ions as follows: (a)Cu(2+)>(a)Ni(2+)>(a)Mg(2+)>(a)Mg(2+)>(b)Cu(2+)>(a)Mn(2+)>(b)Zn(2+)> Ni(2+) and (a)Cu(2+)>(a)Ni(2+> a)Zn(2+)>(a)Mg(2+)>(b)Cu(2+)>(a)Mn(2+)>(b)Zn(2+)>(b)Ni(2+) respectively ((a,b) represent tetra- and hexa-coordinated, respectively), which are in good agreement with the experimental facts. Interaction energies of complexes provide a comparatively reliable quantification of the selectivity of dimethyl phosphate anion for the studied metal ions. In addition, the influence of coordination number and coordination structure on the interaction energy and the variation of ionic energy were discussed sufficiently. After analyzing the interaction energies of two kinds of complexes, the 'mutual selectivity'as well as the nature of the interaction between metal ions and ligands was revealed.
文摘The effect of metallic cations on the Si-O(br) bond and the Si-O(ter) bond was studied with CNDO/2 MO calculations. The characteristics of them were discussed, which were found to vary with the bonding and coordi nation situation of oxygen as well as the effect of metallic cations on oxygen. The conclusions obtained may be well used in the fields of mineralogy, geochemistry, silicate materials, pyrometallurgy and so on.
文摘By means of improved overlapping Muffin-Tin X_a method recently developed the ground state ~2and the first excited state ~2Σ^+ of the XBS^+(X=H,F,Cl)cations are studied.The calculated energies are in good agreement with experiment.The ionization potentials of sulphi- doborons,XBS(X=H,F,Cl,Br)are also computed and compared with photoelectron spectra re- sults.
文摘Phenothiazine and i^+s derivatives were oxidized by l_2 and 2,2,6,6-tetrametbyl-4- acetyloxypiperidine oxoammonium hexachloroantimonate to the corresponding radical cations in the cavity of β-cyclodextrins in aqueous solution.The mechanism of electron transfer between substrates and oxidants is discussed in terms of association of β-CDs.
基金supported by the National Natural Science Foundation of China (No.21688102, No.21433005, and No.21573047)
文摘The carbon chain cations, HC2nO+(n=3-6) are produced via a pulsed laser vaporization supersonic expansion ion source in the gas phase. Their infrared spectra are measured via mass-selected infrared photodissociation spectroscopy of the CO “tagged”[HC2nO·CO]+ cation complexes in 1600-3500 cm-1 frequency range. The geometric and electronic structures of the [HC2nO·CO]+ complexes and the core HC2nO+(n=3-6) cations are determined with the aid of density functional theory calculations. These HC2nO+(n=3-6) ions are identified to be linear carbon chain derivatives terminally capped by hydrogen and oxygen. The triplet ground states are 10-15 kcal/mol lower in energy than the singlet states, indicating cumulene-like carbon chain structures.