Chromium removal from water using LTA zeolites: effect of pH

The effect of pH changes on the ability of the synthetic zeolite NaA to remove Cr(3+) from water by ion exchange was investigated. The exchange rate was improved by working near neutrality. Despite of the occurrence of simultaneous adsorption, precipitation or cation exchange phenomena, spectroscopic analyses of samples taken at different contact times suggested the presence of an unique chromium environment in the solid phase. The increase in pH observed during the ion exchange favored polymerization-precipitation of chromium species present in solution, which, in turn, improved the metal removal capacity of zeolite NaA above the values expected for a pure cationic exchange reaction.     

The effect of surface modification of mesoporous carbons on Auramine-O dye removal from water

Mesoporous carbon of regular structure was subjected to oxidation by ammonium persulfate at 30, 60 or 100 °C. The mesostructure and pore evolution were characterised by XRD, TEM, and N₂ sorption techniques. The functional groups present on the surface of the carbon materials were identified by FTIR and thermogravimetric studies. It was established that the micropores and small mesopores could be blocked by the surface oxides attached under mild oxidation. High densities of surface oxygen complexes, especially carboxylic groups, were generated on the surface of mesoporous carbons. All materials obtained were tested for the removal of Auramine-O from aqueous solution. Adsorption experiments were carried out as batch studies at different contact time, pH and initial dye concentration. Removal of this cationic dye in basic solutions was more effective than in acidic solutions. The highest sorption capacity towards Auramine-O was obtained for the carbon sample oxidised by ammonium persulfate solution at 100 °C. Fitting equilibrium data to Langmuir and Freundlich isotherms showed that Langmuir model was more suitable to describe the Auramine-O adsorption. The changes in standard enthalpy (ΔH⁰), standard entropy (ΔS⁰) and Gibbs free energy (ΔG⁰) were analysed. Thermodynamic study showed that the adsorption of Auramine-O was a spontaneous and exothermic process.     

Continuous removal of radioactive cobalt from water

More than 99% of radioactive cobalt can be removed from water by precipitation as cobalt/III/ hydroxide. The process is continuous and uses either sodium hypochlorite or oxygen and calcium sulfite to oxidize the cobalt. Carbonate and phosphate interfere with cobalt removal, but the process has potential for other applications such as thallium removal and sewage treatment.Mound is operated by Monsanto Research Corporation for the U.S. Department of Energy under Contract No. DE-AC04-76-DP00053.     

A statistical analytical approach to predict the secondary structure of proteins from amino acid sequence information

A statistical analytical approach has been used to analyze the secondary structure (SS) of amino acids as a function of the sequence of amino acid residues. We have used 306 non-homologous best-resolved protein structures from the Protein Data Bank for the analysis. A sequence region of 32 amino acids on either side of the residue is considered in order to calculate single amino acid propensities, di-amino acid potentials and tri-amino acid potentials. A weighted sum of predictions obtained using these properties is used to suggest a final prediction method. Our method is as good as the best-known SS prediction methods, is the simplest of all the methods, and uses no homologous sequence/family alignment data, yet gives 72% SS prediction accuracy. Since the method did not use many other factors that may increase the prediction accuracy there is scope to achieve greater accuracy using this approach. Received: 4 May 1998 / Accepted: 17 September 1998 / Published online: 10 December 1998     

Acetal-vinyl sulfide cyclization on sugar substrates: effect of structure and substituent

A range of 2-deoxyfuranoside and -pyranoside derivatives were fashioned into derivatives that carry a vinyl or propenyl side chain. Extension of the alkene by a Suzuki cross-coupling reaction with 1-bromo-1-(phenylthio)ethene gave thioenol ethers as the cyclization substrates. The treatment of these substrates with BF(3).Et(2)O in tert-butylmethyl ether below 0 degrees C induced cyclization to optically active bicyclic ethers. If the cyclizations are carried out in toluene as the solvent, the isomerization of the terminal thioenol ether to the inner thioenol ether can take place prior to the cyclization. The cyclization reactions can be impeded by steric and electronic factors. The opening of the bicyclic ethers could be illustrated with the base-induced conversion of the ketone 53 to the cyclooctenone 54.     

Methylphenols removal from water by low-cost adsorbents

A comparative study on the adsorption of methylphenols on adsorbents prepared from several industrial wastes has been carried out. The results show that extent of adsorption on carbonaceous adsorbent prepared from fertilizer industry waste has been found to be 37.3, 40.5, 65.9, and 88.5 mg/g for 2-methylphenol, 4-methylphenol, 2,4-dimethylphenol, and 2,4,6-trimethylphenol, rspectively. As compared to carbonaceous adsorbent, the other three adsorbents viz. blast furnace sludge, dust, and slag adsorb methylphenols to a much smaller extent. This has been accounted for due to the carbonaceous adsorbent having a larger porosity and consequently higher surface area. The adsorption of phenols on this carbonaceous adsorbent as a function of contact time, concentration, and temperature has been studied by the batch method. The adsorption has been found to be endothermic and data conform to the Langmuir equation. The analysis of data indicates that adsorption is a first-order process and pore diffusion-controlled. The efficiency of the carbonaceous adsorbent was assessed by comparing the results with those on a standard activated charcoal sample. It was found that the carbonaceous adsorbent is about 45% as efficient as standard activated charcoal and can therefore be employed for the removal of methylphenols from wastewaters.     

Raman spectroscopic characterization of secondary structure in natively unfolded proteins: alpha-synuclein

The application of Raman spectroscopy to characterize natively unfolded proteins has been underdeveloped, even though it has significant technical advantages. We propose that a simple three-component band fitting of the amide I region can assist in the conformational characterization of the ensemble of structures present in natively unfolded proteins. The Raman spectra of alpha-synuclein, a prototypical natively unfolded protein, were obtained in the presence and absence of methanol, sodium dodecyl sulfate (SDS), and hexafluoro-2-propanol (HFIP). Consistent with previous CD studies, the secondary structure becomes largely alpha-helical in HFIP and SDS and predominantly beta-sheet in 25% methanol in water. In SDS, an increase in alpha-helical conformation is indicated by the predominant Raman amide I marker band at 1654 cm(-1) and the typical double minimum in the CD spectrum. In 25% HFIP the amide I Raman marker band appears at 1653 cm(-1) with a peak width at half-height of approximately 33 cm(-1), and in 25% methanol the amide I Raman band shifts to 1667 cm(-1) with a peak width at half-height of approximately 26 cm(-1). These well-characterized structural states provide the unequivocal assignment of amide I marker bands in the Raman spectrum of alpha-synuclein and by extrapolation to other natively unfolded proteins. The Raman spectrum of monomeric alpha-synuclein in aqueous solution suggests that the peptide bonds are distributed in both the alpha-helical and extended beta-regions of Ramachandran space. A higher frequency feature of the alpha-synuclein Raman amide I band resembles the Raman amide I band of ionized polyglutamate and polylysine, peptides which adopt a polyproline II helical conformation. Thus, a three-component band fitting is used to characterize the Raman amide I band of alpha-synuclein, phosvitin, alpha-casein, beta-casein, and the non-A beta component (NAC) of Alzheimer's plaque. These analyses demonstrate the ability of Raman spectroscopy to characterize the ensemble of secondary structures present in natively unfolded proteins.     

Diacid linkers that promote parallel beta-sheet secondary structure in water

We report the development of diacid units that promote formation of a two-stranded parallel beta-sheet secondary structure between peptide segments attached via their N-termini. These linker units are formed by attaching glycine to one carboxyl group of cis-1,2-cyclohexanedicarboxylic acid (CHDA). Parallel sheet formation in water is observed when l-residue strands are attached to the CHDA-Gly unit with either of the two absolute configurations.     

The effect of capron substrates on water absorption by some latex films

It is shown that using ammonia to treat films formed on a capron substrate from latexes, whose polymers contain vinylidene chloride units or terminal aldehyde groups, leads to a decrease in water absorption by these films as compared to free films. This result is explained by the formation of nitrogen-containing groups in the latex polymers, with these groups being capable of interacting with polycaproamide.     

Kinetics of removal of dissolved iron from natural water

The relationships of iron(II) oxidation in water using a new type of aerator based on a disk disperser were studied. The oxidation rate constants and the iron(II) to iron(III) half-conversion time were determined. The iron(II) oxidation in water follows a first-order rate equation. Changes in the water quality parameters depending on the conditions of the iron(II) oxidation were analyzed.     

Iranian clinoptilolite-rich tuffs for radionuclide removal from water

Three Iranian natural zeolites were characterized and evaluated for their abilities to take up Ba⁺², Ca⁺², K⁺ and Na⁺ from radioactive waste waters. The distribution coefficient values (K _d ) of the cations were measured and investigated as a function of pH. Four different cationic forms (Na, K, NH₄, and Ca) were also prepared and theirK _d values were determined. Some cations such as potassium presented highK _d values both in natural and exchanged zeolites. In sodium and ammonium exchanged forms theK _d values increased between 7 to 100 times with respect to the untreated zeolite.     

The effect of 3d-metal intercalation on the electronic structure of metallic and semiconducting nanotubes

The electronic structure of 3d-metal-intercalated metallic (5,5) and semiconducting (10,0) nanotubes has been studied by quantum-chemical methods. The total and partial densities of states of nanotubes as a function of metal concentration and nature and the carbon-shell structure have been calculated by the linear augmented-cylindrical-wave method. Metalized nanowires based on armchair (5,5) and zigzag (10,0) nanotubes with one, two, three, and four metal atoms in the cross-section have been calculated. The introduction of the metal is accompanied by a sharp increase in the density of states at the Fermi level of the nanowire, which determines the concentration of free electrons involved in charge transfer in the nanotube. The 3d electrons of the metal and the carbon shell are nearly equally involved in electron transport in intercalated wires. Both the 3d electrons of a metal and the carbon shell should be nearly equally involved in electron transport in intercalated wires. The introduction of metals not only affects the conductive state of the carbon nanotube but also changes the entire pattern of its valence band, in particular, increases the valence band width of the nanotube by 5–10 eV owing to the low-energy shift of the 2s(C) states.     

Improved MEUF removal of naphthenic acids from produced water

Naphthenic acids are naturally occurring organics in produced waters from oil recovery operations. In principle, these contaminants can be removed using micellar-enhanced ultrafiltration (MEUF), which is an effective technique for the removal of organic contaminants from water streams. In this work, we show that the amphiphilic nature of the naphthenic acids contributed to decreasing the critical micelle concentration (CMC) of cetylpyridinium chloride (CPC), a widely used surfactant in MEUF. This reduction in CMC allowed a decrease in the CPC dosage required to attain certain removal of the organics, and hence, improved the performance of traditional MEUF as a result of reducing back contamination and potential fouling of the membrane. The effect of CPC feed concentration, and the concentration and carbon number of the naphthenic acids on permeate flux, recovery ratio and percent rejection of CPC and naphthenic acids were explored over a range of trans-membrane pressure. The MEUF setup employed hydrophilic polyacrylonitrile (PAN) hollow fiber membrane with 13 kDa MWCO, since it allowed for high permeate flux and contaminant rejection.     

Selecting folded proteins from a library of secondary structural elements

A protein evolution strategy is described by which double-stranded DNA fragments encoding defined Escherichia coli protein secondary structural elements (alpha-helices, beta-strands, and loops) are assembled semirandomly into sequences comprised of as many as 800 amino acid residues. A library of novel polypeptides generated from this system was inserted into an enhanced green fluorescent protein (EGFP) fusion vector. Library members were screened by fluorescence activated cell sorting (FACS) to identify those polypeptides that fold into soluble, stable structures in vivo that comprised a subset of shorter sequences ( approximately 60 to 100 residues) from the semirandom sequence library. Approximately 108 clones were screened by FACS, a set of 1149 high fluorescence colonies were characterized by dPCR, and four soluble clones with varying amounts of secondary structure were identified. One of these is highly homologous to a domain of aspartate racemase from a marine bacterium (Polaromonas sp.) but is not homologous to any E. coli protein sequence. Several other selected polypeptides have no global sequence homology to any known protein but show significant alpha-helical content, limited dispersion in 1D nuclear magnetic resonance spectra, pH sensitive ANS binding and reversible folding into soluble structures. These results demonstrate that this strategy can generate novel polypeptide sequences containing secondary structure.     

脱矿物质过程对油页岩结构的影响

本文选取窑街油页岩和龙口油页岩作为研究对象,以正交实验为基础,采用HCl和HF脱除油页岩中的矿物质,得出在粒度0～0.2mm、HF浓度40%、浸泡时间5h、固液比1∶10的条件下两种油页岩脱矿物质率最大。采用红外光谱对脱矿物质前后油页岩和页岩灰的矿物质组成以及官能团结构变化进行分析,得到油页岩中矿物质主要有石英、高岭石和含铁矿物质等,酸洗能脱除绝大部分矿物质,但油页岩中的主要有机官能团变化不大,只有羧酸盐和含氧基团在脱矿物质后影响较大。     

Identification of beta-barrel membrane proteins based on amino acid composition properties and predicted secondary structure

Unlike all-helices membrane proteins, beta-barrel membrane proteins can not be successfully discriminated from other proteins, especially from all-beta soluble proteins. This paper performs an analysis on the amino acid composition in membrane parts of 12 beta-barrel membrane proteins versus beta-strands of 79 all-beta soluble proteins. The average and variance of the amino acid composition in these two classes are calculated. Amino acids such as Gly, Asn, Val that are most likely associated with classification are selected based on Fishers discriminant ratio. A linear classifier built with these selected amino acids composition in observed beta-strands achieves 100% classification accuracy for 12 membrane proteins and 79 soluble proteins in a four-fold cross-validation experiment. Since at present the accuracy of secondary structure prediction is quite high, a promising method to identify beta-barrel membrane proteins is presented based on the linear classifier coupled with predicted secondary structure. Applied to 241 beta-barrel membrane proteins and 3855 soluble proteins with various structures, the method achieves 85.48% (206/241) sensitivity and 92.53% specificity (3567/3855).     

Importance of the single amino acid potential in water for secondary and tertiary structures of proteins

The structure of a protein molecule is considered to be primarily determined by the inter-amino-acid nonbonded interactions, such as hydrogen bonds. However, the conformational space of the polypeptide chain should be simultaneously restricted by the intrinsic conformational preferences of the individual amino acids. We present here precise single amino acid potential (SAAP) surfaces for glycine (For-Gly-NH(2)) and alanine (For-Ala-NH(2)) in water (epsilon = 78.39) and ether (epsilon = 4.335), which were calculated at the HF/6-31+G(d,p) level applying the self-consistent isodensity polarizable continuum model (SCIPCM) reaction field with geometry optimization in the corresponding solvents. The obtained Ramachandran potential surfaces in water showed distinct potential wells in the alpha- and beta-regions. The profiles were in almost perfect agreement with the Ramachandran plots of glycine and alanine residues in folded proteins, suggesting the Boltzmann distributions on the SAAP surfaces. Molecular simulations of polyalanines (For-Ala(n)-NH(2); n = 3-5) by using the SAAP force field equipped with the SCIPCM potentials revealed that the polyalanines readily form 3(10)-helical structures in water but not in vacuo. In ether (hydrophobic environments), the helical structures were relatively stable, but the most stable structure was assigned to a different one. These results indicated that the intrinsic conformational preferences of the individual amino acids (i.e., the SAAPs) in water are of significant importance not only for describing conformations of a polypeptide chain in the random coil state but also for understanding the folding to the secondary and tertiary structures.