In this study, we exhibited an amino acid (arginine and threonine) derivative Schiff base copper(II) complexes incorporating an azobenzene moiety as a photoresponsive site and conjugated it to egg white lysozyme, a we...In this study, we exhibited an amino acid (arginine and threonine) derivative Schiff base copper(II) complexes incorporating an azobenzene moiety as a photoresponsive site and conjugated it to egg white lysozyme, a well-known protein, to change ligand conformation under binding to lysozyme. Among several spectroscopic investigations, ESR clearly showed that the nitrogen atom of the amino acid residue of lysozyme was bound to the paramagnetic copper(II) ion of the complex, and UV light irradiation confirmed photoisomerization of the azobenzene moiety of the ligand to cis-form. The binding mode was considered by means of spectroscopic as well as computational methods, whereas complete crystallographic verification was still a preliminary stage.展开更多
Background Ears play an important role in facial profiles.Lying ears are not perceived favorably in Asian cultures;therefore,surgical procedures are implemented to adjust this defect.However,surgery has complications ...Background Ears play an important role in facial profiles.Lying ears are not perceived favorably in Asian cultures;therefore,surgical procedures are implemented to adjust this defect.However,surgery has complications and requires recovery time.We introduced a hyaluronic acid(HA)injection technique to aesthetically improve ear prominence.Methods This retrospective study examined 25 Chinese patients aged 20-47 years with congenital lying ears who received HA injections in the auricular base at Shanghai Ninth People’s Hospital and Hangzhou Yijie Medical Cosmetology Clinic between November 2019 and December 2022.The average injection volume was 6.32±1.22 mL in the auricular base unilaterally,and the follow-up time ranged from 6 to 24 months.Morphological measurement data were recorded.Two-dimensional(2D)and three-dimensional(3D)images were obtained to evaluate the effects.Results All patients showed improvements in ear prominence.The cranioauricular angle(CAA)increased from 22.24°±4.53°to 65.90°±5.38°immediately post-injection and was maintained at 49.18°±4.74°6 months later.The ear projection(EP)increased from 14.75±2.72 mm to 26.26±2.94 mm immediately post-injection and was 22.51±2.68 mm after 6 months.No serious complications were noted.Conclusion HA injection in the auricular base effectively corrected the lying ears and aesthetically optimized the facial profile.It also had a face-lift effect that made the face look younger and more compact.The injection procedure was minimally invasive and required no recovery period.The effect was maintained for a long time and was satisfactory.展开更多
Acid-Base Indicator, Turmeric Rhizome (Curcuma longa) was extracted from the root of a turmeric plant. The turmeric was peeled, washed and dried in an oven at 60°C. It was ground into powder and soaked in hot ...Acid-Base Indicator, Turmeric Rhizome (Curcuma longa) was extracted from the root of a turmeric plant. The turmeric was peeled, washed and dried in an oven at 60°C. It was ground into powder and soaked in hot and cold ethanol for the extraction. The extract was filtered and part of it was concentrated to yield a reasonable quantity of turmeric indicator. On standardization of acid with a base, 0.05 M base respectively of Sodium hydroxide (NaOH), sodium carbonate (Na<sub>2</sub>CO<sub>3</sub>) and Disodium borate (B<sub>4</sub>Na<sub>2</sub>O<sub>7</sub>) were used. Hot and cold extracts of turmeric were used as indicators and were compared with methyl orange and phenolphthalein. On the preliminary test carried out, hot and cold turmeric indicator showed yellow colour in acid medium and orange colour in the base. Methyl orange showed red colour in acid but yellow in the base, phenolphthalein was colourless in acid but pink in the base. During titration there were colour changes at the end points in the entire test carried out. The average volumes at ends points were calculated, the molar concentrations and mass concentrations of the acids used were also determined. The results showed that there was no difference between the natural indicators used and the existing synthetic indicators which are toxic to our environment.展开更多
The synthesis of 2, 4-diisopropyl-5,5-dimethy1- 1.3-dioxane through the acetalization of isobutyraldehyde with 2, 2, 4-trimethy1-1,3-pentanediol (TMPD) catalyzed by the novel carbon based acid was first carried out....The synthesis of 2, 4-diisopropyl-5,5-dimethy1- 1.3-dioxane through the acetalization of isobutyraldehyde with 2, 2, 4-trimethy1-1,3-pentanediol (TMPD) catalyzed by the novel carbon based acid was first carried out. High conversion (≥98%) and specific selectivity were obtained using the novel carbon based acid, which kept high activity after it was reused 5 times. Moreover. the catalyst could be used to catalyze the acetalization and ketalization of different aldehydes and ketones with superior yield. The yield of several products was over 90%. The novel heterogeneous catalyst has the distinct advantages of high activity, strikingly simple workup procedure, non-pollution, and reusability, which will contribute to the success of the green process greatly.展开更多
Carbon materials have shown remarkable usefulness in facilitating the performance of insulating sulfur cathode for lithium–sulfur batteries owing to their excellent conductivity and porous structure. However,the anxi...Carbon materials have shown remarkable usefulness in facilitating the performance of insulating sulfur cathode for lithium–sulfur batteries owing to their excellent conductivity and porous structure. However,the anxiety is the poor affinity toward polar polysulfides due to the intrinsic nonpolar surface of carbon.Herein, we report a direct pyrolysis of the mixture urea and boric acid to synthesize B/N–codoped hierarchically porous carbon nanosheets(B–N–CSs) as efficient sulfur host for lithium–sulfur battery. The graphene–like B–N–CSs provides high specific surface area and porous structure with abundant micropores(1.1 nm) and low–range mesopores(2.3 nm), thereby constraining the sulfur active materials within the pores. More importantly, the codoped B/N elements can further enhance the polysulfide confinement through strong Li–N and B–S interaction based on the Lewis acid–base theory. These structural superiorities significantly suppress the shuttle effect by both physical confinement and chemical interaction, and promote the redox kinetics of polysulfide conversion. When evaluated as the cathode host, the S/B–N–CSs composite displays the excellent performance with a high reversible capacity up to 772 m A h g–1 at 0.5 C and a low fading rate of ^0.09% per cycle averaged upon 500 cycles. In particular, remarkable stability with a high capacity retention of 87.1% can be realized when augmenting the sulfur loading in the cathode up to 4.6 mg cm^(-2).展开更多
The enantiomers of chiral drugs often have different potencies, toxicities, and biochemical properties. Therefore, the FDA and other worldwide regulatory agencies require manufactures to test and prove the enantiomeri...The enantiomers of chiral drugs often have different potencies, toxicities, and biochemical properties. Therefore, the FDA and other worldwide regulatory agencies require manufactures to test and prove the enantiomeric purity of chiral drugs. Amino acid based molecular micelles (AABMM) have been used in chiral CE separations since the 1990’s because of their low environmental impact and because their properties can easily be tuned by changing the amino acids in the chiral surfactant head groups. Using molecular dynamics simulations to investigate the structures and properties of AABMM is part of an ongoing study focusing on investigating and elucidating the factors responsible for chiral recognition with AABMM. The results will be useful for the proper design and selection of more efficient chiral selectors. The micelles investigated contained approximately twenty covalently linked surfactant monomers. Each monomer was in turn composed of an undecyl hydrocarbon chain bound to a dipeptide headgroup containing of all combinations of L-Alanine, L-Valine, and L-Leucine. These materials are of interest because they are effective chiral selectors in capillary electrophoresis separations. Molecular dynamics simulation analyses were used to investigate how the sizes and positions of the headgroup amino acid R-groups affected the solvent accessible surface areas of each AABMM chiral center. In addition, headgroup dihedral angle analyses were used to investigate how amino acid R-group size and position affected the overall headgroup conformations. Finally, distance measurements were used to study the structural and conformational flexibilities of each AABMM headgroup. All analyses were performed in the context of a broader study focused on developing structure-based predictive tools to identify the factors responsible for a) self-assembly, b) function, c) higher ordered structure and d) molecular recognition of these amino acid based molecular micelles.展开更多
The adsorption equilibrium isotherms of three aromatic sulfonic acid compounds, 2-naphthalenesulfonic acid, p-toluenesulfonic acid and p-chlorobenzenesulfonic acid, from aqueous solutions by macroporous weak base anio...The adsorption equilibrium isotherms of three aromatic sulfonic acid compounds, 2-naphthalenesulfonic acid, p-toluenesulfonic acid and p-chlorobenzenesulfonic acid, from aqueous solutions by macroporous weak base anion exchanger within the temperature range of 293 K-313 K were obtained. Several isotherm equations were correlated with the equilibrium data, and the experimental data was found to fit the three-parameter Redlich-Peterson equation best within the entire range of concentrations. The study showed that the hydrophobicity of solute has distinct influence on adsorption capacity of the anion exchanger for the aromatic sulfonic acid. Moreover, estimations of the isosteric enthalpy, free energy, and entropy change of adsorption were also reported. The positive isosteric enthalpy and entropy change for adsorption indicate an endothermic and entropy driven process in the present study.展开更多
A series of Mg‐Al mixed oxide catalysts are prepared and introduced as efficient irreducible catalysts for the oxidative coupling of alcohols and amines to imine.The structure and surface properties of Mg‐Al oxides ...A series of Mg‐Al mixed oxide catalysts are prepared and introduced as efficient irreducible catalysts for the oxidative coupling of alcohols and amines to imine.The structure and surface properties of Mg‐Al oxides are modulated by changing the Mg/Al ratios,calcination temperature and treatment with probe molecules.Detailed characterization,including X‐ray diffraction,27Al magic angle spinning nuclear magnetic resonance spectroscopy,N2‐adsorption,NH3‐temperature‐programmed desorption,CO2‐temperature‐programmed desorption and X‐ray photoelectron spectroscopy are carried out to determine the physicochemical properties of these catalysts.The Mg‐Al oxides with Mg/Al=3exhibit the highest activity in the reaction,which possess a large number of surface weak basic sites and a relatively small number of weak acidic sites.The role of the acidic and basic sites in the reaction process is systematically investigated,and are shown to serve as adsorption and activation sites for amines and alcohols,respectively.Under the synergistic effect of these acid‐base centers,the oxidative coupling process successfully occurs on the surface of Mg‐Al mixed oxides.Compared with the acidic sites,the weak basic sites play a more important role in the catalytic process.The acidic sites are the catalytic centers for the benzyl alcohol activation,which control the reaction rate of the oxidative coupling reaction.展开更多
The present paper covers electronic structures and spectra of the bases and the base pairs of nucleic acids calculated by using the INDO/S method. For free bases we give the energy levels of ground states and transiti...The present paper covers electronic structures and spectra of the bases and the base pairs of nucleic acids calculated by using the INDO/S method. For free bases we give the energy levels of ground states and transition energies of low-lying excited states and discuss the band characters. The results indicate that the calculated spectra are in good agreement with experimental values. On the other hand, our calculations for A-T and G-C pairs are very beneficial to understanding hydrogen bond properties of these pairs.展开更多
The dependence of electronic absorption spectra antimicrobial property on the substituent position was investigated using three Schiff bases derived from salicylaldehyde and isomeric aminobenzoic acids in three solven...The dependence of electronic absorption spectra antimicrobial property on the substituent position was investigated using three Schiff bases derived from salicylaldehyde and isomeric aminobenzoic acids in three solvents of different polarities. The absorption maxima in all three solvents exhibited dependence on the position of substituent with the absorption maxima undergoing a red shift as solvent polarity increased. The in vitro antibacterial activity of the compounds against some clinically important bacteria namely Escherichia coli (ATCC 25922), Pseudomonas aeruginosa (ATCC 27853), Staphylococcus aureus (ATCC 25923), Enterococcus feacalis (ATCC 29212) was determined in N,N”-dimethylformamide and 1,4-dioxane using the agar dilution method. The results revealed that the ortho and meta substituted Schiff bases exhibited better antimicrobial activity in the non-polar solvent.展开更多
Four Schiff bases, from pyruvic acid (1) with amines containing N and S donor atoms, thiocarbohydrazide (2, 61%), 2-methyl-3-thiosemicarbazide (3, 26%), S-benzyldithiocarbazate (4, 51%) and S-n-octyldithiocarbazate (5...Four Schiff bases, from pyruvic acid (1) with amines containing N and S donor atoms, thiocarbohydrazide (2, 61%), 2-methyl-3-thiosemicarbazide (3, 26%), S-benzyldithiocarbazate (4, 51%) and S-n-octyldithiocarbazate (5, 63%) have been successfully synthesized. The conventional method was used and a series of novel linear and cyclic Schiff bases were obtained with or without catalyst. All the Schiff bases were fully characterized by CHN elemental analysis, FT-IR, 1H & 13C NMR, EI-MS and two of the Schiff bases were further characterized by X-ray crystallographic structure analysis. Compound 2 crystallizes in the triclinic space group P-1 and unit cell dimensions are: a = 4.1777(8), b = 5.9538(11), c = 13.458(3) &ARING;, α = 92.759(6), β = 90.813(6), γ = 100.040(6)°, R1 = 0.0439. Compound 3 crystallizes in the orthorhombic space group P n a 2(1) and unit cell dimensions are: a = 5.5992(2), b = 11.3962(5), c = 10.6473(5), α = 92.759(6), β = 90.813(6), γ = 100.040(6)°, R1 = 0.0285. Compounds 2 and 3 were obtained as cyclic Schiff bases which are triazine derivatives.展开更多
A self-made AMPS-modified polyacrylic acid superplasticizer and two others of the same type but with different molecular structures, which are commercially available, are used in this study to investigate the effect o...A self-made AMPS-modified polyacrylic acid superplasticizer and two others of the same type but with different molecular structures, which are commercially available, are used in this study to investigate the effect of a 2-acrylamide-2-methyl propylene sulfonic (AMPS)-modified polyacrylic acid superplasticizer on the properties of cement-based materials. In the experiments, initial fluidity, 1 and 2 h fluidity over time after admixtion, bleeding rate of the net cement mortar, and adsorption capacity and rate of cement particles are determined by adding different dosages of the three superplasticizers into the cement paste to characterize the dispersivity and the dispersion retention capability of each superplasticizer. Water-reducing rates of three kinds of mortars are simultaneously determined to characterize the water-reducing capacity of each superplasticizer, as well as the 3 and 28 d compressive strengths to characterize the compression resistance. Results show that water-reducing effect and fluidity better maintain the capability of the AMPS-modified polyacrylic acid superplasticizer than the two commercially available polyacrylic acid superplasticizers, and the compressive strengths after 3 and 28 d show significant growth. In conclusion, the effects of water reduction and strengthening of the AMPS-modified polyacrylic acid superplasticizer are evidently better than those of the two commercially available polyacrylic acid superplasticizers.展开更多
Nitro aromatic compound can be obtained in high yields via nitration of aromatic compound with wet carbon-based solid acid and NaNO_3 under solvent free oxidation at room temperature.
Six new complexes of lanthanum with amino acid Schiff base ligands, A-F, were prepared in methanol-aqueous solution. The composition and properties of the title complexes were characterized by elemental analysis, mola...Six new complexes of lanthanum with amino acid Schiff base ligands, A-F, were prepared in methanol-aqueous solution. The composition and properties of the title complexes were characterized by elemental analysis, molar conductance, infrared, electronic spectra, H-1 NMR, thermogravimetric and differential thermal analysis.展开更多
Seven heterobinuclear complexes of Cu-Ln with N, N'-bis(3-carboxylsali cylidene) ethylenediamine(ES) were synthesized and characterized by elemental analysis, molar conductivity, thermogravimetry, IR and electroni...Seven heterobinuclear complexes of Cu-Ln with N, N'-bis(3-carboxylsali cylidene) ethylenediamine(ES) were synthesized and characterized by elemental analysis, molar conductivity, thermogravimetry, IR and electronic spectra. The room temperature magnetic moments show that there are basically no spin exchange interactions between the ions of Cu2+ and Ln(3+) in the CuLnESCl . nH(2)O compounds.展开更多
The amphoteric properties of four sulfide minerals were characterized byacidimetric-alkalimetric titration. Chalcocite, galena, and sphalerite were found to bediprotic acids, while pyrite was determined to be a tripro...The amphoteric properties of four sulfide minerals were characterized byacidimetric-alkalimetric titration. Chalcocite, galena, and sphalerite were found to bediprotic acids, while pyrite was determined to be a triprotic acid. Intrinsic acidity con-stants for the four minerals are as follows: chalcocite-pK_(a1)=5.25, pK_(a2)=9.68;galena- pK_(a1)=5.26, pK_(a2)=9.62; sphalente- pK_(a1)= 5.08, pK_(a2)= 9.13;and pyrite - pK_(a1) = 3.50,pK_(a2)=5.32, pK_(a3)=9.81.展开更多
FT IR, Raman microscopy, XRD, 29 Si and 27 Al MAS NMR, were used to investigate changes in surface properties of a natural illite sample after acid base potentiometric titration. The characteristic ...FT IR, Raman microscopy, XRD, 29 Si and 27 Al MAS NMR, were used to investigate changes in surface properties of a natural illite sample after acid base potentiometric titration. The characteristic XRD lines indicated the presence of surface Al Si complexes, preferable to Al(OH) 3 precipitates. In the microscopic Raman spectra, the vibration peaks of Si O and Al O bonds diminished as a result of treatment with acid, then increased after hydroxide back titration. The varied ratio of signal intensity between IV Al and VI Al species in 27 Al MAS NMR spectra, together with the stable BET surface area after acidimetric titration, suggested that edge faces and basal planes in the layer structure of illite participated in dissolution of structural components. The combined spectroscopic evidence demonstrated that the reactions between illite surfaces and acid leaching silicic acid and aluminum ions should be considered in the model description of surface acid base properties of the aqueous illite.展开更多
Two dehydroabietic acid-based arylamines have been synthesized and characterized by FTIR, 1H NMR, 13C NMR, MS spectra and elemental analysis. Their spatial structures were determined by X-ray diffraction analysis. UV-...Two dehydroabietic acid-based arylamines have been synthesized and characterized by FTIR, 1H NMR, 13C NMR, MS spectra and elemental analysis. Their spatial structures were determined by X-ray diffraction analysis. UV-Vis absorption and fluorescence spectral characteristics of these compounds in methanol were investigated. Their fluorescence emission spectra in different polarity solvents were further evaluated. Fluorescent properties and structural relationship of the compounds showed that fluorescence intensity and quantum yield inversely increase with the non-coplanar degree. In addition, the solvent polarity has different effects on the fluorescence emission spectra of two compounds.展开更多
Sulfonated poly(phthalazinone)s (SPPENK, SPPESK and SPPBEK) were prepared by direct polymerization reaction from sulfonated monomers. The novel acid-base membranes were composed of sulfonated polymers as the acidi...Sulfonated poly(phthalazinone)s (SPPENK, SPPESK and SPPBEK) were prepared by direct polymerization reaction from sulfonated monomers. The novel acid-base membranes were composed of sulfonated polymers as the acidic compounds, and polyetherimide (PEI) as the basic compounds, casting from their N-methylpyrrolidone (NMP) solution directly onto clean glass plates at 60 ℃ aiming at enhancing membrane toughness and other relative properties. The resulted acid-base composite membranes had excellent resistance to swelling, thermo-stability, hydrolysis resistance and oxidative resistance properties with highly ion-exchange capacity (IEC).展开更多
The title complex [Zn(L)(phen)(CH3OH)] (L = C8H6BrO4NS, aminomethanesulfonic acid 5-bromo-salicylaldelyde schiff base; phen = 1,10-phenanthroline) has been synthesized and characterized by X-ray diffraction me...The title complex [Zn(L)(phen)(CH3OH)] (L = C8H6BrO4NS, aminomethanesulfonic acid 5-bromo-salicylaldelyde schiff base; phen = 1,10-phenanthroline) has been synthesized and characterized by X-ray diffraction method. The crystal belongs to monoclinic, space group P21/c with a = 1.8712(3), b = 1.38008(19), c = 0.83685(12) nm, β = 97.791 (2)°, Mr = 569.72, V = 2.1411 (5) nm^3, Z= 4, Dc = 1.767 g/cm^3,μ = 3.151 mm^-1, F(000) = 1144, the final R = 0.0402 and wR = 0.0885. The central Zn(Ⅱ) is six-coordinated by one nitrogen and two oxygen atoms from the Schiff base, two nitrogen atoms from 1,10-phenanthroline and one oxygen from methanol to form a distorted octahedral coordination geometry.展开更多
文摘In this study, we exhibited an amino acid (arginine and threonine) derivative Schiff base copper(II) complexes incorporating an azobenzene moiety as a photoresponsive site and conjugated it to egg white lysozyme, a well-known protein, to change ligand conformation under binding to lysozyme. Among several spectroscopic investigations, ESR clearly showed that the nitrogen atom of the amino acid residue of lysozyme was bound to the paramagnetic copper(II) ion of the complex, and UV light irradiation confirmed photoisomerization of the azobenzene moiety of the ligand to cis-form. The binding mode was considered by means of spectroscopic as well as computational methods, whereas complete crystallographic verification was still a preliminary stage.
文摘Background Ears play an important role in facial profiles.Lying ears are not perceived favorably in Asian cultures;therefore,surgical procedures are implemented to adjust this defect.However,surgery has complications and requires recovery time.We introduced a hyaluronic acid(HA)injection technique to aesthetically improve ear prominence.Methods This retrospective study examined 25 Chinese patients aged 20-47 years with congenital lying ears who received HA injections in the auricular base at Shanghai Ninth People’s Hospital and Hangzhou Yijie Medical Cosmetology Clinic between November 2019 and December 2022.The average injection volume was 6.32±1.22 mL in the auricular base unilaterally,and the follow-up time ranged from 6 to 24 months.Morphological measurement data were recorded.Two-dimensional(2D)and three-dimensional(3D)images were obtained to evaluate the effects.Results All patients showed improvements in ear prominence.The cranioauricular angle(CAA)increased from 22.24°±4.53°to 65.90°±5.38°immediately post-injection and was maintained at 49.18°±4.74°6 months later.The ear projection(EP)increased from 14.75±2.72 mm to 26.26±2.94 mm immediately post-injection and was 22.51±2.68 mm after 6 months.No serious complications were noted.Conclusion HA injection in the auricular base effectively corrected the lying ears and aesthetically optimized the facial profile.It also had a face-lift effect that made the face look younger and more compact.The injection procedure was minimally invasive and required no recovery period.The effect was maintained for a long time and was satisfactory.
文摘Acid-Base Indicator, Turmeric Rhizome (Curcuma longa) was extracted from the root of a turmeric plant. The turmeric was peeled, washed and dried in an oven at 60°C. It was ground into powder and soaked in hot and cold ethanol for the extraction. The extract was filtered and part of it was concentrated to yield a reasonable quantity of turmeric indicator. On standardization of acid with a base, 0.05 M base respectively of Sodium hydroxide (NaOH), sodium carbonate (Na<sub>2</sub>CO<sub>3</sub>) and Disodium borate (B<sub>4</sub>Na<sub>2</sub>O<sub>7</sub>) were used. Hot and cold extracts of turmeric were used as indicators and were compared with methyl orange and phenolphthalein. On the preliminary test carried out, hot and cold turmeric indicator showed yellow colour in acid medium and orange colour in the base. Methyl orange showed red colour in acid but yellow in the base, phenolphthalein was colourless in acid but pink in the base. During titration there were colour changes at the end points in the entire test carried out. The average volumes at ends points were calculated, the molar concentrations and mass concentrations of the acids used were also determined. The results showed that there was no difference between the natural indicators used and the existing synthetic indicators which are toxic to our environment.
基金the National Key Project ofScientific and Technical SupportingPrograms Funded by the Ministry of Science & Technology of China (No.2006BAE03B06)the Shanghai International Cooperation of Science and Technology Project (No.06SR07101).
文摘The synthesis of 2, 4-diisopropyl-5,5-dimethy1- 1.3-dioxane through the acetalization of isobutyraldehyde with 2, 2, 4-trimethy1-1,3-pentanediol (TMPD) catalyzed by the novel carbon based acid was first carried out. High conversion (≥98%) and specific selectivity were obtained using the novel carbon based acid, which kept high activity after it was reused 5 times. Moreover. the catalyst could be used to catalyze the acetalization and ketalization of different aldehydes and ketones with superior yield. The yield of several products was over 90%. The novel heterogeneous catalyst has the distinct advantages of high activity, strikingly simple workup procedure, non-pollution, and reusability, which will contribute to the success of the green process greatly.
基金financial support of the National Natural Science Foundation of China (Grant No. 21263016, 21363015, 51662029, 21863006)the Youth Science Foundation of Jiangxi Province (Grant No. 20192BAB216001)the Key Laboratory of Jiangxi Province for Environment and Energy Catalysis (20181BCD40004)。
文摘Carbon materials have shown remarkable usefulness in facilitating the performance of insulating sulfur cathode for lithium–sulfur batteries owing to their excellent conductivity and porous structure. However,the anxiety is the poor affinity toward polar polysulfides due to the intrinsic nonpolar surface of carbon.Herein, we report a direct pyrolysis of the mixture urea and boric acid to synthesize B/N–codoped hierarchically porous carbon nanosheets(B–N–CSs) as efficient sulfur host for lithium–sulfur battery. The graphene–like B–N–CSs provides high specific surface area and porous structure with abundant micropores(1.1 nm) and low–range mesopores(2.3 nm), thereby constraining the sulfur active materials within the pores. More importantly, the codoped B/N elements can further enhance the polysulfide confinement through strong Li–N and B–S interaction based on the Lewis acid–base theory. These structural superiorities significantly suppress the shuttle effect by both physical confinement and chemical interaction, and promote the redox kinetics of polysulfide conversion. When evaluated as the cathode host, the S/B–N–CSs composite displays the excellent performance with a high reversible capacity up to 772 m A h g–1 at 0.5 C and a low fading rate of ^0.09% per cycle averaged upon 500 cycles. In particular, remarkable stability with a high capacity retention of 87.1% can be realized when augmenting the sulfur loading in the cathode up to 4.6 mg cm^(-2).
文摘The enantiomers of chiral drugs often have different potencies, toxicities, and biochemical properties. Therefore, the FDA and other worldwide regulatory agencies require manufactures to test and prove the enantiomeric purity of chiral drugs. Amino acid based molecular micelles (AABMM) have been used in chiral CE separations since the 1990’s because of their low environmental impact and because their properties can easily be tuned by changing the amino acids in the chiral surfactant head groups. Using molecular dynamics simulations to investigate the structures and properties of AABMM is part of an ongoing study focusing on investigating and elucidating the factors responsible for chiral recognition with AABMM. The results will be useful for the proper design and selection of more efficient chiral selectors. The micelles investigated contained approximately twenty covalently linked surfactant monomers. Each monomer was in turn composed of an undecyl hydrocarbon chain bound to a dipeptide headgroup containing of all combinations of L-Alanine, L-Valine, and L-Leucine. These materials are of interest because they are effective chiral selectors in capillary electrophoresis separations. Molecular dynamics simulation analyses were used to investigate how the sizes and positions of the headgroup amino acid R-groups affected the solvent accessible surface areas of each AABMM chiral center. In addition, headgroup dihedral angle analyses were used to investigate how amino acid R-group size and position affected the overall headgroup conformations. Finally, distance measurements were used to study the structural and conformational flexibilities of each AABMM headgroup. All analyses were performed in the context of a broader study focused on developing structure-based predictive tools to identify the factors responsible for a) self-assembly, b) function, c) higher ordered structure and d) molecular recognition of these amino acid based molecular micelles.
文摘The adsorption equilibrium isotherms of three aromatic sulfonic acid compounds, 2-naphthalenesulfonic acid, p-toluenesulfonic acid and p-chlorobenzenesulfonic acid, from aqueous solutions by macroporous weak base anion exchanger within the temperature range of 293 K-313 K were obtained. Several isotherm equations were correlated with the equilibrium data, and the experimental data was found to fit the three-parameter Redlich-Peterson equation best within the entire range of concentrations. The study showed that the hydrophobicity of solute has distinct influence on adsorption capacity of the anion exchanger for the aromatic sulfonic acid. Moreover, estimations of the isosteric enthalpy, free energy, and entropy change of adsorption were also reported. The positive isosteric enthalpy and entropy change for adsorption indicate an endothermic and entropy driven process in the present study.
文摘A series of Mg‐Al mixed oxide catalysts are prepared and introduced as efficient irreducible catalysts for the oxidative coupling of alcohols and amines to imine.The structure and surface properties of Mg‐Al oxides are modulated by changing the Mg/Al ratios,calcination temperature and treatment with probe molecules.Detailed characterization,including X‐ray diffraction,27Al magic angle spinning nuclear magnetic resonance spectroscopy,N2‐adsorption,NH3‐temperature‐programmed desorption,CO2‐temperature‐programmed desorption and X‐ray photoelectron spectroscopy are carried out to determine the physicochemical properties of these catalysts.The Mg‐Al oxides with Mg/Al=3exhibit the highest activity in the reaction,which possess a large number of surface weak basic sites and a relatively small number of weak acidic sites.The role of the acidic and basic sites in the reaction process is systematically investigated,and are shown to serve as adsorption and activation sites for amines and alcohols,respectively.Under the synergistic effect of these acid‐base centers,the oxidative coupling process successfully occurs on the surface of Mg‐Al mixed oxides.Compared with the acidic sites,the weak basic sites play a more important role in the catalytic process.The acidic sites are the catalytic centers for the benzyl alcohol activation,which control the reaction rate of the oxidative coupling reaction.
文摘The present paper covers electronic structures and spectra of the bases and the base pairs of nucleic acids calculated by using the INDO/S method. For free bases we give the energy levels of ground states and transition energies of low-lying excited states and discuss the band characters. The results indicate that the calculated spectra are in good agreement with experimental values. On the other hand, our calculations for A-T and G-C pairs are very beneficial to understanding hydrogen bond properties of these pairs.
文摘The dependence of electronic absorption spectra antimicrobial property on the substituent position was investigated using three Schiff bases derived from salicylaldehyde and isomeric aminobenzoic acids in three solvents of different polarities. The absorption maxima in all three solvents exhibited dependence on the position of substituent with the absorption maxima undergoing a red shift as solvent polarity increased. The in vitro antibacterial activity of the compounds against some clinically important bacteria namely Escherichia coli (ATCC 25922), Pseudomonas aeruginosa (ATCC 27853), Staphylococcus aureus (ATCC 25923), Enterococcus feacalis (ATCC 29212) was determined in N,N”-dimethylformamide and 1,4-dioxane using the agar dilution method. The results revealed that the ortho and meta substituted Schiff bases exhibited better antimicrobial activity in the non-polar solvent.
文摘Four Schiff bases, from pyruvic acid (1) with amines containing N and S donor atoms, thiocarbohydrazide (2, 61%), 2-methyl-3-thiosemicarbazide (3, 26%), S-benzyldithiocarbazate (4, 51%) and S-n-octyldithiocarbazate (5, 63%) have been successfully synthesized. The conventional method was used and a series of novel linear and cyclic Schiff bases were obtained with or without catalyst. All the Schiff bases were fully characterized by CHN elemental analysis, FT-IR, 1H & 13C NMR, EI-MS and two of the Schiff bases were further characterized by X-ray crystallographic structure analysis. Compound 2 crystallizes in the triclinic space group P-1 and unit cell dimensions are: a = 4.1777(8), b = 5.9538(11), c = 13.458(3) &ARING;, α = 92.759(6), β = 90.813(6), γ = 100.040(6)°, R1 = 0.0439. Compound 3 crystallizes in the orthorhombic space group P n a 2(1) and unit cell dimensions are: a = 5.5992(2), b = 11.3962(5), c = 10.6473(5), α = 92.759(6), β = 90.813(6), γ = 100.040(6)°, R1 = 0.0285. Compounds 2 and 3 were obtained as cyclic Schiff bases which are triazine derivatives.
基金Funded by the Fujian Education Department(Nos.JA11329,JA12412)Quanzhou(Fujian)Technology Research and Development Program(Nos.2013Z158,2013Z47,2010G7)
文摘A self-made AMPS-modified polyacrylic acid superplasticizer and two others of the same type but with different molecular structures, which are commercially available, are used in this study to investigate the effect of a 2-acrylamide-2-methyl propylene sulfonic (AMPS)-modified polyacrylic acid superplasticizer on the properties of cement-based materials. In the experiments, initial fluidity, 1 and 2 h fluidity over time after admixtion, bleeding rate of the net cement mortar, and adsorption capacity and rate of cement particles are determined by adding different dosages of the three superplasticizers into the cement paste to characterize the dispersivity and the dispersion retention capability of each superplasticizer. Water-reducing rates of three kinds of mortars are simultaneously determined to characterize the water-reducing capacity of each superplasticizer, as well as the 3 and 28 d compressive strengths to characterize the compression resistance. Results show that water-reducing effect and fluidity better maintain the capability of the AMPS-modified polyacrylic acid superplasticizer than the two commercially available polyacrylic acid superplasticizers, and the compressive strengths after 3 and 28 d show significant growth. In conclusion, the effects of water reduction and strengthening of the AMPS-modified polyacrylic acid superplasticizer are evidently better than those of the two commercially available polyacrylic acid superplasticizers.
文摘Nitro aromatic compound can be obtained in high yields via nitration of aromatic compound with wet carbon-based solid acid and NaNO_3 under solvent free oxidation at room temperature.
文摘Six new complexes of lanthanum with amino acid Schiff base ligands, A-F, were prepared in methanol-aqueous solution. The composition and properties of the title complexes were characterized by elemental analysis, molar conductance, infrared, electronic spectra, H-1 NMR, thermogravimetric and differential thermal analysis.
文摘Seven heterobinuclear complexes of Cu-Ln with N, N'-bis(3-carboxylsali cylidene) ethylenediamine(ES) were synthesized and characterized by elemental analysis, molar conductivity, thermogravimetry, IR and electronic spectra. The room temperature magnetic moments show that there are basically no spin exchange interactions between the ions of Cu2+ and Ln(3+) in the CuLnESCl . nH(2)O compounds.
文摘The amphoteric properties of four sulfide minerals were characterized byacidimetric-alkalimetric titration. Chalcocite, galena, and sphalerite were found to bediprotic acids, while pyrite was determined to be a triprotic acid. Intrinsic acidity con-stants for the four minerals are as follows: chalcocite-pK_(a1)=5.25, pK_(a2)=9.68;galena- pK_(a1)=5.26, pK_(a2)=9.62; sphalente- pK_(a1)= 5.08, pK_(a2)= 9.13;and pyrite - pK_(a1) = 3.50,pK_(a2)=5.32, pK_(a3)=9.81.
文摘FT IR, Raman microscopy, XRD, 29 Si and 27 Al MAS NMR, were used to investigate changes in surface properties of a natural illite sample after acid base potentiometric titration. The characteristic XRD lines indicated the presence of surface Al Si complexes, preferable to Al(OH) 3 precipitates. In the microscopic Raman spectra, the vibration peaks of Si O and Al O bonds diminished as a result of treatment with acid, then increased after hydroxide back titration. The varied ratio of signal intensity between IV Al and VI Al species in 27 Al MAS NMR spectra, together with the stable BET surface area after acidimetric titration, suggested that edge faces and basal planes in the layer structure of illite participated in dissolution of structural components. The combined spectroscopic evidence demonstrated that the reactions between illite surfaces and acid leaching silicic acid and aluminum ions should be considered in the model description of surface acid base properties of the aqueous illite.
基金supported by the National Natural Science Foundation of China (No. 31170539)
文摘Two dehydroabietic acid-based arylamines have been synthesized and characterized by FTIR, 1H NMR, 13C NMR, MS spectra and elemental analysis. Their spatial structures were determined by X-ray diffraction analysis. UV-Vis absorption and fluorescence spectral characteristics of these compounds in methanol were investigated. Their fluorescence emission spectra in different polarity solvents were further evaluated. Fluorescent properties and structural relationship of the compounds showed that fluorescence intensity and quantum yield inversely increase with the non-coplanar degree. In addition, the solvent polarity has different effects on the fluorescence emission spectra of two compounds.
基金This study was supported by the National Natural Science Foundation of China (No. 50373005);the Chinese National Programs for High Technology Research and Development ("863" plan, No. 2003AA33G030).
文摘Sulfonated poly(phthalazinone)s (SPPENK, SPPESK and SPPBEK) were prepared by direct polymerization reaction from sulfonated monomers. The novel acid-base membranes were composed of sulfonated polymers as the acidic compounds, and polyetherimide (PEI) as the basic compounds, casting from their N-methylpyrrolidone (NMP) solution directly onto clean glass plates at 60 ℃ aiming at enhancing membrane toughness and other relative properties. The resulted acid-base composite membranes had excellent resistance to swelling, thermo-stability, hydrolysis resistance and oxidative resistance properties with highly ion-exchange capacity (IEC).
基金This work was supported by the Natural Science Foundation of Hunan Province (No. 05JJ30016) and Science Foundation of Hengyang Normal University of China (2005A01), the Basic Research of the Hunan Province (03JZY3036)
文摘The title complex [Zn(L)(phen)(CH3OH)] (L = C8H6BrO4NS, aminomethanesulfonic acid 5-bromo-salicylaldelyde schiff base; phen = 1,10-phenanthroline) has been synthesized and characterized by X-ray diffraction method. The crystal belongs to monoclinic, space group P21/c with a = 1.8712(3), b = 1.38008(19), c = 0.83685(12) nm, β = 97.791 (2)°, Mr = 569.72, V = 2.1411 (5) nm^3, Z= 4, Dc = 1.767 g/cm^3,μ = 3.151 mm^-1, F(000) = 1144, the final R = 0.0402 and wR = 0.0885. The central Zn(Ⅱ) is six-coordinated by one nitrogen and two oxygen atoms from the Schiff base, two nitrogen atoms from 1,10-phenanthroline and one oxygen from methanol to form a distorted octahedral coordination geometry.