Showing papers in "Science China-chemistry in 2008"

Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect

Abstract: In the present work, through the path integral of Gaussian type correlation function, a new formalism based on Fermi-Golden Rule for calculating the rate constant of nonradiative decay process with Duschinsky rotation effect in polyatomic molecules is developed. The advantage of the present path-integral formalism is promoting-mode free. In order to get the rate constant, a “transition rate matrix” needs to be calculated. The rate constant calculated previously is only an approximation of diagonal elements of our “transition rate matrix”. The total rate should be the summation over all the matrix elements.

The effect of substrate concentration on biohydrogen production by using kinetic models

Abstract: The effect of substrate concentration ranging from 0 to 300 g/L on fermentative hydrogen production by mixed cultures was investigated in batch tests using glucose as substrate. The experimental results showed that, at 35 and initial pH 7.0, during the fermentative hydrogen production, the hydrogen °C production potential and hydrogen production rate increased with increasing substrate concentration from 0 to 25 g/L. The maximal hydrogen production potential of 426.8 mL and maximal hydrogen production rate of 15.1 mL/h were obtained at the substrate concentration of 25 g/L. The maximal hydrogen yield and the maximal substrate degradation efficiency were respectively 384.3 mL/g glucose and 97.6%, at the substrate concentration of 2 g/L. The modified Logistic model could be used to describe the progress of cumulative hydrogen production in this study successfully. The Han-Levenspiel model could be used to describe the effect of substrate concentration on fermentative hydrogen production rate.

Hydrogen bonding interactions between ethylene glycol and water: density, excess molar volume, and spectral study

Abstract: Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate the hydrogen bonding interactions of EG with water at different temperatures. The results suggest that a likely complex of 3 ethylene glycol molecules bonding with 4 water molecules in an ethylene glycol-water mixture (EGW) is formed at the maximal excess molar volume, which displays stronger absorption capabilities for SO2 when the concentration of SO2 reaches 400×106 (volume ratio) in the gas phase. Meanwhile, FTIR and UV spectra of EGWs were recorded at various EG concentrations to display the hydrogen bonding interactions of EG with water. The FTIR spectra show that the stretching vibrational band of hydroxyl in the EGWs shifts to a lower frequency and the bending vibrational band of water shifts to a higher frequency with increasing the EG concentration, respectively. Furthermore, the UV spectra show that the electron transferring band of the hydroxyl oxygen in EG shows red shift with increasing the EG concentration. The frequency shifts in FTIR spectra and the shifts of absorption bands in UV absorption spectra of EGWs are interpreted as the strong hydrogen bonding interactions of the hydrogen atoms in water with the hydroxyl oxygen atoms of EG.

H 2 production with low CO selectivity from photocatalytic reforming of glucose on metal/TiO 2 catalysts

Abstract: H2 with low CO concentration is produced via photocatalytic reforming of glucose (as a representative of biomass component) on metal/TiO2 catalyst (metals: Pt, Rh, Ru, Ir, Au, Ni, Cu). It is shown that the loaded metals generally enhance the rate of H2 production, while they depress the CO selectivity. Both H2 production and CO selectivity are strongly dependent on the kind of deposited metals on TiO2. For example, Rh/TiO2 catalyst is found to be most active for H2 production while with the most extremely low CO concentration from the photocatalytic reforming of glucose.

Preparation of polymer-supported hydrated ferric oxide based on Donnan membrane effect and its application for arsenic removal

Abstract: In the present study a novel technique was proposed to prepare a polymer-supported hydrated ferric oxide (D201-HFO) based on Donnan membrane effect by using a strongly basic anion exchanger D201 as the host material and FeCl3-HCl-NaCl solution as the reaction environment D201-HFO was found to exhibit higher capacity for arsenic removal than a commercial sorbent Purolite ArsenX Furthermore, it presents favorable adsorption selectivity for arsenic removal from aqueous solution, as well as satisfactory kinetics Fixed-bed column experiments showed that arsenic sorption on D201-HFO could result in concentration of this toxic metalloid element below 10 μg/L, which was the new maximum concentration limit set recently by the European Commission and imposed by the US EPA and China Also, the spent D201-HFO is amenable to efficient regeneration by NaOH-NaCl solution

Influence of MnO 2 on the photocatalytic activity of P-25 TiO 2 in the degradation of methyl orange

Abstract: Influences of α-MnO2, β-MnO2, and δ-MnO2 on the photocatalytic activity of Degussa P-25 TiO2 have been investigated through the photocatalytic degradation of methyl orange. The TiO2 photocatalyst, before and after being contaminated by MnO2, was characterized by UV-visible diffuse reflectance spectroscopy (UV-vis DRS), photoluminescence (PL), and X-ray photoelectron spectroscopy (XPS). The results showed that photocatalytic activity of TiO2 could be inhibited significantly or completely deactivated due to the presence of even a small amount of MnO2 particles. It was found that the poisoning effect varied with the crystal phases of MnO2 and the effect was in the order δ-MnO2 >α-MnO2 >β-MnO2. The poisoning effect was attributed to the formation of heterojunctions between MnO2 and TiO2 particles. The heterojunctions changed the chemical state of Ti4+ and O2− sites in the crystalline phase of TiO2. MnO2 in contact with TiO2 particles also broadens the band-gap of TiO2, which decreases UV absorption of TiO2. It can also create some deep impurity energy levels serving as photoelectron-photohole recombination center, which accelerates the electron-hole recombination.

Study on the morphology, crystalline structure and thermal properties of yam starch acetates with different degrees of substitution

Abstract: This study was carried out to understand and establish the changes in physicochemical properties of starch extracted from Chinese yam (Dioscorea opposita Thunb.) after acetylation. Yam starch acetates with different degrees of substitution (DS) were prepared by the reaction of yam starch with glacial acetic acid/acetic anhydride using sulfuric acid as the catalyst. Their formation was confirmed by the presence of the carbonyl signal around 1750 cm−1 in the Fourier transform infrared (FT-IR) spectra. The thermal behavior of the native starch and starch acetate were investigated using thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The results reveal that the starch acetates are more thermally stable than the native starch. The starch esters showed 50% weight loss at temperatures from 328°C to 372°C, while the native starch underwent 50% weight loss at 325°C. The glass transition temperature (Tg) of the starch decreased from 273°C to 226°c. The X-ray diffraction (XRD) patterns could be classified as typical of the C-type for yam starch. X-ray diffraction also showed the loss of the ordered C-type starch crystalline structure and the degree of crystallinity of starch decreased from 36.10% to 10.96% with the increasing DS. The scanning electron microscopy (SEM) suggested that the most of the starch granules disintegrated with many visible fragments with the increasing DS.

Outlier detection in near-infrared spectroscopic analysis by using Monte Carlo cross-validation

Abstract: An outlier detection method is proposed for near-infrared spectral analysis. The underlying philosophy of the method is that, in random test (Monte Carlo) cross-validation, the probability of outliers presenting in good models with smaller prediction residual error sum of squares (PRESS) or in bad models with larger PRESS should be obviously different from normal samples. The method builds a large number of PLS models by using random test cross-validation at first, then the models are sorted by the PRESS, and at last the outliers are recognized according to the accumulative probability of each sample in the sorted models. For validation of the proposed method, four data sets, including three published data sets and a large data set of tobacco lamina, were investigated. The proposed method was proved to be highly efficient and veracious compared with the conventional leave-one-out (LOO) cross validation method.

Rapid decolorization of water soluble azo-dyes by nanosized zero-valent iron immobilized on the exchange resin

Abstract: Nanosized zero-valent iron (NZVI) supported on the cation exchange resin was synthesized and applied to decompose some water soluble azo dyes. The decomposition efficiency for azo dyes was evaluated by using the aqueous suspensions and parked column of this material. Batch experiments indicated that this novel material exhibited excellent degradation ability for 0.05 g·L−1 of Acid Orange 7, Acid Orange 8, Acid Orange 10, Sunset Yellow, and Methyl Orange, with decolorization ratio up to 95% in 4 min; pH value was the key factor for degradation and H+ was one of the reactants; adsorption of azo dyes onto the material existed at the beginning but reduced gradually until disappearing completely. For the packed column system, 58%∼90% of azo dyes were decomposed in the 1st circle of solution passing through the column, and the adsorption onto the materials could accelerate the degradation azo dyes with the increasing reaction time. During the degradation process, Fe2+, the product of NZVI, was exchanged to the resin again and could be reduced to Fe0 by KBH4 for reusing. The 10th refreshed NZVI possessed reductive activity up to 90% of the newly systhesized NZVI. Decomposing pollutants in the aqueous solution with columns packed with NZVI immobilized on the cation exchange resin is a promising technology that can solve the reclaiming and refreshing problem of NZVI.

Architecture of Platonic and Archimedean polyhedral links

Abstract: A new methodology for understanding the construction of polyhedral links has been developed on the basis of the Platonic and Archimedean solids by using our method of the ‘three-cross-curve and double-twist-line covering’. There are five classes of polyhedral links that can be explored: the tetrahedral and truncated tetrahedral links; the hexahedral and truncated hexahedral links; the dodecahedral and truncated dodecahedral links; the truncated octahedral and icosahedral links. Our results show that the tetrahedral and truncated tetrahedral links have T symmetry; the hexahedral and truncated hexahedral links, as well as the truncated octahedral links, O symmetry; the dodecahedral and truncated dodecahedral links, as well as the truncated icosahedral links, I symmetry, respectively. This study provides further insight into the molecular design, as well as theoretical characterization, of the DNA and protein catenanes.

Experimental study on scale inhibition performance of a green scale inhibitor polyaspartic acid

Abstract: Static and dynamic experiments were carried out to validate scale inhibition performance of a green scale inhibitor-polyaspartic acid (PASP). From the static experiment, it was shown that below 60°C, polyaspartic acid is very effective in scale inhibition, with the scale inhibition ratio exceeding 90% with only 3 mg/L PASP for the 600 mg/L hardness solution. For a higher hardness solution of 800 mg/L, the scale inhibition ratio can also reach 90% with 6 and 12 mg/L PASP at 30 and 60°C respectively. The SEM photographs of CaCO3 crystals indicate that the crystal structure transforms from a compact stick-shape to a loose shape so that the scale can be washed away easily instead of being deposited on the heat transfer surface. The dynamic experimental results show that almost no scales formed on the heat transfer surface and the fouling thermal resistance decreases extraordinarily if PASP is added in the solution.

Advance in highly efficient hydrogen production by high temperature steam electrolysis

Abstract: High Temperature Steam Electrolysis (HTSE) through a solid oxide electrolytic cell (SOEC) has been receiving increasing research and development attention worldwide because of its high conversion efficiency (about 45%–59%) and its potential usage for large-scale production of hydrogen. The mechanism, composition, structure, and developing challenges of SOEC are summarized. Current situation, key materials, and core technologies of SOEC (solid oxide electrolytic cell) in HTSE are reviewed, and the prospect of HTSE future application in advanced energy fields is proposed. In addition, the recent research achievements and study progress of HTSE in Tsinghua University are also introduced and presented.

Enzymatic catalysis of 2,6-dimethoxyphenol by laccases and products characterization in organic solutions

Abstract: 2,6-Dimethoxyphenol (DMP) as a substrate was widely used in determination of laccase activity. It is surprising, however, that its catalyzed oxidation products have not been completely determined until now. Studies were thus conducted on Rhus laccase (RL) and immobilized Rhus laccase (IRL)-catalyzed oxidation reactions of 2,6-dimethoxyphenol in water-organic solvent systems. These reactions proceeded well in water-(im)miscible organic solvent systems pre-saturated with water. Only one product, 3,3′,5,5′-tetramethoxy-1,1′biphenyl-4,4′-diol (TMBP), was produced by RL catalysis, and it was thoroughly characterized by FT-IR, NMR, GC-MS, etc. A simple enzymatic mechanism of this reaction is propos

Structures and antifouling properties of low surface energy non-toxic antifouling coatings modified by nano-SiO2 powder

Abstract: Antifouling coatings are used to improve the speed and energy efficiency of ships by preventing organisms, such as barnacles and weed, building up on the underwater hull and helping the ships movement through the water. Typically, marine coatings are tributyltin self-polishing copolymer paints containing toxic molecules called biocides. They have been the most successful in combating biofouling on ships, but their widespread use has caused severe pollution in the marine ecosystem. The low surface energy marine coating is an entirely non-toxic alternative, which reduces the adhesion strength of marine organisms, facilitating their hydrodynamic removal at high speeds. In this paper, the novel low surface energy non-toxic marine antifouling coatings were prepared with modified acrylic resin, nano-SiO2, and other pigments. The effects of nano-SiO2 on the surface structure and elastic modulus of coating films have been studied, and the seawater test has been carried out in the Dalian Bay. The results showed that micro-nano layered structures on the coating films and the lowest surface energy and elastic modulus could be obtained when an appropriate mass ratio of resin, nano-SiO2, and other pigments in coatings approached. The seawater exposure test has shown that the lower the surface energy and elastic modulus of coatings are, the less the marine biofouling adheres on the coating films.

Impact and mechanism of TiO 2 nanoparticles on DNA synthesis in vitro

Abstract: The impact of TiO2 nanoparticles on DNA synthesis in vitro in the dark and the molecular mechanism of such impact were studied. The impact of TiO2 nanoparticles on DNA synthesis was investigated by adding TiO2 nanoparticles in different sizes and at various concentrations into the polymerase chain reaction (PCR) system. TiO2 nanoparticles were premixed with the DNA polymerase, the primer or the template, respectively and then the supernatant and the precipitation of each mixture were added into the PCR system separately to observe the impact on DNA synthesis. Sequentially the interaction between TiO2 nanoparticles and the DNA polymerase, the primer or the template was further analyzed by using UV-visible spectroscopy and polyacrylamide gel electrophoresis (PAGE). The results suggest that TiO2 nanoparticles inhibit DNA synthesis in the PCR system in the dark more severely than microscale TiO2 particles at the equivalent concentration and the inhibition effect of TiO2 nanoparticles is concentration dependent. The molecular mechanism of such inhibition is that in the dark, TiO2 nanoparticles interact with the DNA polymerase through physical adsorption while TiO2 nanoparticles do with the primer or the template in a chemical adsorption manner. The disfunction levels of the bio-molecules under the impact of TiO2 nanoparticles are in the following order: the primer > the template > the DNA polymerase.

Sorption characteristics and mechanisms of organic contaminant to carbonaceous biosorbents in aqueous solution

Abstract: A series of carbonaceous biosorbents was prepared by pyrolyzing pine needles, a model biomass, at various temperatures (100–700°C) under an oxygen-limited condition for 6 h. The elemental compositions and the specific surface areas (BET-N2) of the biosorbents were analyzed. Sorption properties of 4-nitrotoluene to the biosorbents and their mechanisms were investigated, and then correlated with the structures of the biosorbents. The result shows that with the increase of the pyrolytic temperature, the aromaticity of the carbonaceous biosorbents increases dramatically and the polarity (the (N+O)/C atomic ratio) decreases sharply. Correspondingly, conformations of the organic matter in the biosorbents transform gradually from a “soft-state” to a “hard-state” and the specific surface areas of the resultant biosorbents extend rapidly. The sorption isotherms fit well with the Freundlich equation. The regression parameters (i.e., N and IgK f) are linearly related to the aromaticity indices (the H/C atomic ratio). Contributions of adsorption and partition to total sorption of the carbonaceous biosorbents are quantified. The adsorption of the carbonaceous biosorbents increases quickly with the increase of the pyrolytic temperature. The saturated adsorption amounts (Q max) increase linearly with the increase of the specific surface areas (SA) of the biosorbents. For the carbonaceous biosorbents with hard-state carbon, the calculated normalized-Q max values by SA are comparable to the theoretical estimation (2.45 μmol/m2). In comparison, for the carbonaceous sorbents with soft-state carbon, the calculated normalized-Q max values by SA are much higher than the theoretical estimation. The partition coefficients (K om) increase with the decrease of the polarity of the biosorbents, reaching a maximum, and then decrease sharply with further decreasing the polarity, suggesting that partition mechanism be dominated by the compatibility and accessibility of the sorbent medium with organic pollutant. These observations will provide a theoretical and practical reference to design a cost-effective and high-efficient sorbent, and to accurately predict sorption properties and mechanisms of a given sorbent.

Analysis of human urine metabolites using SPE and NMR spectroscopy

Abstract: Nuclear magnetic resonance (NMR) spectroscopic analysis of metabonome/metabolome has wide-spread applications in biomedical science researches. However, most of NMR resonances for urinary metabolites remain to be fully assigned. In the present study, human urine samples from two healthy volunteers were pre-treated with C18 solid-phase extraction and the resultant 5 sub-fractions were subjected to one-and two-dimensional NMR studies, including 1H J-Resolved, 1H-1H COSY, 1H-1H TOCSY, 1H-13C HSQC, and HMBC 2D NMR. More than 70 low molecular weight metabolites were identified, and complete assignments of 1H and 13C resonances including many complex coupled spin systems were obtained.

Cytotoxicity of carbon nanotubes

Abstract: With large-scale production and application at large scale, carbon nanotubes (CNTs) may cause adverse response to the environment and human health. Thus, study on bio-effects and safety of CNTs has attracted great attention from scientists and governments worldwide. This report briefly summarizes the main results from the in vitro toxicity study of CNTs. The emphasis is placed on the description of a variety of factors affecting CNTs cytotoxicity, including species of CNTs, impurities contained, lengths of CNTs, aspect ratios, chemical modification, and assaying methods of cytotoxicity. However, experimental information obtained thus far on CNTs’ cytotoxicity is lacking in comparability, and sometimes there is controversy about it. In order to assess more accurately the potential risks of CNTs to human health, we suggest that care should be taken for issues such as chemical modification and quantitative characterization of CNTs in cytotoxicity assessment. More importantly, studies on physical and chemical mechanisms of CNTs’ cytotoxicity should be strengthened; assaying methods and evaluating criteria characterized by nanotoxicology should be gradually established.

Study on the recovery of hydrogen from refinery (hydrogen + methane) gas mixtures using hydrate technology

Abstract: A novel technique for separating hydrogen from (H2 + CH4) gas mixtures through hydrate formation/dissociation was proposed. In this work, a systematic experimental study was performed on the separation of hydrogen from (H2 + CH4) feed mixtures with various hydrogen contents (mole fraction x = 40%–90%). The experimental results showed that the hydrogen content could be enriched to as high as ∼94% for various feed mixtures using the proposed hydrate technology under a temperature slightly above 0°C and a pressure below 5.0 MPa. With the addition of a small amount of suitable additives, the rate of hydrate formation could be increased significantly. Anti-agglomeration was used to disperse hydrate particles into the condensate phase. Instead of preventing hydrate growth (as in the kinetic inhibitor tests), hydrates were allowed to form, but only as small dispersed particles. Anti-agglomeration could keep hydrate particles suspended in a range of condensate types at 1°C and 5 MPa in the water-in-oil emulsion.

Progress and perspectives of quantitative structure-activity relationships used for ecological risk assessment of toxic organic compounds

Abstract: Structure-activity relationship (SAR) and quantitative structure-activity relationship (QSAR), collectively referred to as (Q)SARs, play an important role in ecological risk assessment (ERA) of organic chemicals. (Q)SARs can fill the data gap for physical-chemical, environmental behavioral and ecotoxicological parameters of organic compounds; they can decrease experimental expenses and reduce the extent of experimental testing (especially animal testing); they can also be used to assess the uncertainty of the experimental data. With the development for several decades, (Q)SARs in environmental sciences show three features: application orientation, multidisciplinary integration, and intelligence. Progress of (Q)SAR technology for ERA of toxic organic compounds, including endpoint selection and mathematic methods for establishing simple, transparent, easily interpretable and portable (Q)SAR models, is reviewed. The recent development on defining application domains and diagnosing outliers is summarized. Model characterization with respect to goodness-of-fit, stability and predictive power is specially presented. The purpose of the review is to promote the development of (Q)SARs orientated to ERA of organic chemicals.

Progress in the toxicological researches for quantum dots

Abstract: Quantum dots (QDs) have received more and more attention as a novel example of nanomaterials. Due to their unique fluorescent characteristics, quantum dots have been successfully applied in biotechnology and medicine applications. Recently, the toxicity and the potential environmental effects of QDs have become a research hotspot. In this paper, toxicological effects of QDs are reviewed, and the prospects and research directions are given based on the analysis of this research field.

Boron rings containing planar octa- and enneacoordinate cobalt, iron and nickel metal elements

Abstract: For a series of boron rings with planar hyper-coordinate 8th group transition metal atoms, singlet 1FeB 8 −2 , multiplet k FeB 9 (n = −1, k = 1; n = 0, k = 2), singlet 1CoB 8 (n = −1, +1, +3), multiplet k CoB 9 (n = +1, k = 2; n = 0, k = 1) and singlet 1NiB 9 + , the geometry structures have been optimized to be local minima on corresponding potential hyper-surfaces. The electron structures are discussed by orbital analysis and the aromaticity is predicted by nucleus-independent chemical shifts calculation at both the B3LYP/6-311+G* and BP86/6-311+G* levels of theory, respectively. The results suggest that all these structures with high symmetry planar geometries are stable and have aromatic properties with six π valence electrons.

Research progress in cation-π interactions

Abstract: Cation-π interaction is a potent intermolecular interaction between a cation and an aromatic system, which has been viewed as a new kind of binding force, as being compared with the classical interactions (e.g. hydrogen bonding, electrostatic and hydrophobic interactions). Cation-π interactions have been observed in a wide range of biological contexts. In this paper, we present an overview of the typical cation-π interactions in biological systems, the experimental and theoretical investigations on cation-π interactions, as well as the research results on cation-π interactions in our group.

Optimal performance of a generalized irreversible four-reservoir isothermal chemical potential transformer

Abstract: A new cyclic model of a four-reservoir isothermal chemical potential transformer with irreversible mass transfer, mass leakage and internal dissipation is put forward in this paper. The optimal relation between the coefficient of performance (COP) and the rate of energy pumping of the generalized irreversible four-reservoir isothermal chemical potential transformer has been derived by using finite-time thermodynamics or thermodynamic optimization. The maximum COP and the corresponding rate of energy pumping, as well as the maximum rate of energy pumping and the corresponding COP, have been obtained. Moreover, the influences of the irreversibility on the optimal performance of the isothermal chemical potential transformer have been revealed. It was found that the mass leakage affects the optimal performance both qualitatively and quantitatively, while the internal dissipation affects the optimal performance quantitatively. The results obtained herein can provide some new theoretical guidelines for the optimal design and development of a class of isothermal chemical potential transformers, such as mass exchangers, electrochemical, photochemical and solid state devices, fuel pumps, etc.

Cellulose decomposition behavior in hot-compressed aprotic solvents

Abstract: Microcrystalline cellulose (avicel) is treated in hot-compressed aprotic solvents, sulfolane and 1,4-dioxane, using a batch-type reaction system with a molten tin bath in a range from 290 to 390°C. The corresponding densities of the solvent are 0.25–1.26 g/cm3 and 0.21–1.03 g/cm3 for sulfolane and 1,4-dioxane, respectively. As a result, in both solvents, more than 90% of cellulose is found to be decomposed to the solvent-soluble portion in which levoglucosan is the main component with the highest yield of about 35% on original cellulose basis. The decomposition rate to levoglucosan is, however, faster in sulfolane than in 1,4-dioxane, while levoglucosan is more stable in 1,4-dioxane. In addition, its yield is found to be solvent-density dependent to be highest around 0.4–0.5 g/cm3 for both solvents. To elucidate these decomposition behaviors, the results obtained in this study with aprotic solvents are compared with protic solvents such as water and methanol in previous works.

Electrochemical, quantum chemical and SEM investigation of the inhibiting effect and mechanism of ciprofloxacin, norfloxacin and ofloxacin on the corrosion for mild steel in hydrochloric acid

Abstract: The inhibiting effect and mechanism of 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline carboxylicacid(ciprofloxacin), 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline carboxylic acid (norfloxacin) and (−)-(S)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7 H-pyrido(1,2,3-de)-1,4-benzoxazine-6 carboxylic acid (ofloxacin) on the corrosion of mild steel in 1 mol/L HCl have been studied using electrochemical method, quantum chemical method and SEM at 303 K. The potentiodynamic results showed that these compounds suppressed both cathodic and anodic processes of mild steel corrosion in 1 mol/L HCl. The impedance spectroscopy showed that Rp values increased, and Cdl values decreased with the rising of the working concentration. Quantum chemical calculation showed that there was a positive correlation between some inhibitors structure properties and the inhibitory efficiency. The inhibitors function through adsorption followed Langmuir isotherm, and chemisorption made more contribution to the adsorption of the inhibitors on the steel surface compared with physical adsorption. SEM analysis suggested that the metal had been protected from aggressive corrosion because of the addition of the inhibitors.

Synthesis of amino-silane modified magnetic silica adsorbents and application for adsorption of flavonoids from Glycyrrhiza uralensis Fisch

Abstract: Magnetic separation technology was applied in the separation of flavonoids from the licorice root in this work. Licorice flavonoids (LF) displayed a remarkable array of biological and pharmacological activities. The magnetic adsorbents with functional -NH(2) groups were synthesized by immobilization of amino-silane on the surface of the magnetic silica supports, which were prepared by co-precipitation method. The adsorption and desorption characteristics of the magnetic adsorbents for the separation of LF have been evaluated. The purity of an enriched extract with this method was 16.7% while the crude extract only had about 6.8% purity. Therefore, it can be concluded that these kinds of magnetic adsorbents have selectivity to the flavonoids to some extent. The affinity selectivity of the adsorbents is based on the formation of hydrogen bonding between the -NH(2) on the magnetic adsorbents and -OH, -CO on the flavonoids.

Synthesis and characterization of boron nitride sponges as a novel support for metal nanoparticles

Abstract: This paper describes a simple synthetic route for the synthesis of hexagonal boron nitride (h-BN) powders with high specific surface area, in which BBr3, NH4Cl and Al powders are used as starting materials. The structure and composition of the powders were characterized by electron diffraction, Fourier transformation infrared spectroscopy and X-ray photoelectron spectroscopy in the selected area. X-ray diffraction shows wide peaks of crystalline h-BN with the particle size on the nanometer scale, and transmission electron microscopy reveals that the products have a novel spongy morphology. Silver nanoparticles loaded h-BN sponges were prepared via a one-step synthesis method. Different reaction conditions for the formation of h-BN sponges were also investigated.

Theoretical observation of hexaatomic molecules containing pentacoordinate planar carbon

Abstract: The smallest molecules up to date containing a D5h pentacoordinate planar carbon (PPC) atom, CBe5 and CBe54−, are presented by means of ab initio calculations. To gain a better understanding about which electronic factors contribute to their stabilization, natural bond orbital (NBO) analysis and the nucleus independent chemical shifts (NICS) were calculated. The data reported here suggest that D5h CBe5 is σ aromaticity in nature, while in D5h CBe54− π aromaticity is dominating. The classical octet rule is well satisfied in both molecules, and is one of the fundamental reasons to understand the stability of the pentagon structures. The Be5 ring serves as σ donor in D5h CBe5, and π-acceptor in D5h CBe54−. The D5h CBe54− possessing 18 valence electrons with a closed-shell electron configuration is the most plausible candidate for experimental detection.

Recent advances of aptamer sensors

Abstract: Aptamers are a series of high-affinity and high-specificity oligoneucleotides (single-stranded DNA or RNA) to the target, usually selected by the combinatorial chemistry SELEX technique (systematic evolution of ligands by exponential enrichment). Aptamers have proved to be one kind of novel functional molecules in life science and chemistry. After being labeled by signaling groups, the aptamer probe can conveniently transfer the characteristics of aptamer-target recognition to a form of high-sensitive signal, and the high-affinity, high-specificity measurements of metal ion, organic molecules, nucleic acid, proteins, or cells become possible. This article summarizes the recent advances of aptamer probes in different sensing fields, with special emphasis on aptamer probes as fluorescent sensors.