江河源区高寒嵩草草甸土壤氨基酸成分和含量特征分析

通过高效液相色谱技术分析了青海省果洛州达日县窝赛乡原生嵩草草甸、严重退化草地及人工草地三类植被土壤中各种氨基酸成分及含量。结果表明:(1)三种类型土壤中都检测出19种常见氨基酸:精氨酸、天冬氨酸、丝氨酸、谷氨酸、苏氨酸、丙氨酸、甘氨酸、氨基丁酸、脯氨酸、蛋氨酸、缬氨酸、苯丙氨酸、异亮氨酸、亮氨酸、胱氨酸、组氨酸、鸟氨酸、赖氨酸、酪氨酸;(2)测定结果表明原生嵩草草甸土壤的氨基酸总量显著高于人工恢复重建草地和严重退化土壤氨基酸,而后两者之间差异不显著。原生高寒草地的土壤(6316.28μgg-1)严重退化草地土壤(2977.10μgg-1)人工恢复重建草地土壤(2975.90μgg-1)。(3)原生高寒草地土壤氨基酸总体呈现下降趋势:5月氨基酸含量最高,随后6月7月的显著下降,8月稍微有所回升,9月氨基酸含量到达最低;严重退化草地土壤与人工恢复重建草地土壤氨基酸含量季节变化相似,氨基酸总量在6月份到达最高点,随后7月8月显著下降,9月份稍微有所回升。     

Relationship of structure and enhanced photocatalytic activity of S-scheme BiOCl/g-C3N4 heterojunction for xanthate removal under visible light

Constructing heterojunctions is an excellent way to enhance the photocatalytic property of semiconductors. Herein, a range of S-scheme BiOCl/g-C₃N₄ heterojunctions with varying mass ratios were designed using a facile hydrothermal route, and their photocatalytic ability was assessed by degrading the ethyl xanthate (EX) under visible light (λ > 400 nm). The results showed that the degradation efficiency of BiOCl/g-C₃N₄-0.1 heterojunction for EX was up to 91.2 % within 180 min, and its apparent rate constants (K_app) were 4.3 and 11 times greater than those of BiOCl and g-C₃N₄, respectively. The experimental and characterization results revealed that the excellent photocatalytic property was ascribed to the construction of S-scheme heterojunctions. Such structure not only enhanced the visible light response but also facilitated the efficient separation of photoinduced carriers with the S-scheme transfer route, retaining strong redox-capable holes and electrons to participate in surface reactions. Furthermore, the cycling experiments indicated that the fabricated photocatalysts have great recyclability and stability. Based on the results of active substance capture, the S-scheme charge transfer model was proposed and the photodegradation mechanism of EX was reasonably elucidated. Overall, this work offers some theoretical direction for the design and construction of S-scheme heterojunctions with superior visible-light-driven photocatalytic performance.     

以序列特征值预测酶和非酶蛋白及内含肽

利用生物信息学快速准确鉴别酶、非酶蛋白及内含肽能极大提高实验效率,而测序数量的指数型增长使酶、非酶蛋白及内含肽的自动分类尤显重要。本文获取了同一性小于25%的序列共计3853条,采用Z标度的伪氨基酸组成和氨基酸组成分布提取序列特征值识别酶、非酶蛋白及内含肽。结果表明,该特征值提取方法经参数优化后,即当λ=5,w=0.15时,以支持向量机为分类器,其10倍交叉验证的精度可达81.3%,ROC曲线下面积为0.83;其精度高于其它方法0.5%到12.9%不等;独立样本测试的预测精度可达71.2%,ROC曲线下面积为0.782,其精度高于其它方法0.4%到6.4%不等,效果均优于其它常见的序列特征值方法。本文结果说明从序列出发判断其归属是可行的,3种不同功能的分子在序列特征上存在一定的差异,所建立的Z标度的伪氨基酸组成和氨基酸组成分布法可用于其它类似的生物信息学问题。建立了从序列出发预测酶、非酶蛋白及内含肽的新方法。     

Liquid–liquid equilibria of aqueous two-phase systems composed of TritonX-100 and sodium citrate or magnesium sulfate salts

Liquid–liquid phase diagrams of surfactant-based aqueous two-phase systems (ATPS) composed of TritonX-100, as a non-ionic surfactant, and two different salts have been studied at 298.15 K. The salts used were an inorganic salt, magnesium sulfate (MgSO₄), and an organic salt, sodium citrate (Na₃C₆H₅O₇). The results show that the salt MgSO₄ is more capable of inducing ATPS formation than the salt Na₃C₆H₅O₇. The experimental liquid–liquid equilibrium data were correlated using a modified virial model. Good agreement was obtained with the experimental data.     

Synthesis of quantum size ZnO crystals and their gas sensing properties for NO2

Quantum size ZnO crystals have been synthesized successfully by a room temperature sol-gel process. Oleic acid (OA) has been used as capping agent to control the particle size of ZnO. The crystal structure and size of the ZnO are characterized by the X-ray diffraction (XRD) and transmission electron microscope (TEM). The XRD results show the as-synthesized ZnO has hexagonal wurtzite structure and the average crystallite size is 5.7 nm which is little less than TEM result. It is testified by photoluminescence (PL) and Raman spectra that the quantum size ZnO keeps the crystal structure of the bulk ZnO and possesses more surface defects. The quantum size ZnO has the highest response of 280 to NO₂ and the highest selectivity of 31 and 49 corresponding to CO and CH₄ at operating temperature of 290 °C. The effect of calcination temperatures on sensing property and transient response of the ZnO sensor are also investigated.     

Ascorbic acid imprinted polymer-modified graphite electrode: A diagnostic sensor for hypovitaminosis C at ultra trace ascorbic acid level

A new kind of molecularly imprinted polymer-modified graphite electrode was fabricated by “grafting-to” approach, incorporating sol–gel technique, for the detection of acute deficiency in serum ascorbic acid level (SAAL), manifesting hypovitaminosis C. The modified electrode exhibited ascorbic acid (AA) oxidation at less positive potential (0.0 V) than the earlier reported methods, resulting in a limit of detection as low as 6.13 ng mL⁻¹ (RSD = 1.2%, S/N = 3). The diffusion coefficient (1.096 × 10⁻⁵ cm² s⁻¹), rate constant (7.308 s⁻¹), and Gibb's free energy change (−12.59 kJ mol⁻¹) due to analyte adsorption, were also calculated to explore the kinetics of AA oxidation. The proposed sensor was found to enhance sensitivity substantially so as to detect ultra trace level of AA in the presence of other biologically important compounds (dopamine, uric acid, etc.), without any cross interference and matrix complications from biological fluids and pharmaceutical samples.     

Palladium nanoclusters-coated polyfuran as a novel sensor for catecholamine neurotransmitters and paracetamol

A promising electrochemical biosensor was developed by electrodeposition of palladium nanoclusters on polyfuran film modified platinum electrode. This biosensor electrode was used to determine some catecholamines, namely dopamine, epinephrine and norepinephrine, ascorbic acid and paracetamol. The method of formation of the polymer film and deposition of Pd particles plays a key role in the electroactivity of the resulting hybrid material. This sensor effectively resolved the overlapping anodic peaks of ascorbic acid (AA), dopamine (DA) and paracetamol (ACOP) into three well-defined voltammetric peaks in differential pulse voltammetry analysis. The detection limit of DA in the absence and presence of AA and ACOP are eventually the same which indicates that the oxidation processes of DA, AA and ACOP are independent and that the simultaneous measurements of the three analytes are possible without interference. The electrodeposition of Pd on polyfuran improved exceptionally the detection limit about four decades. Moreover, diffusion coefficient measurements confirmed the fast electron transfer kinetics of the electrochemical oxidation of the analyte molecules at the sensor/solution interface. It is very interesting to note that the electrocatalytic effect of PF/Pd composite has been increased to be sometimes 21 times that of the pristine PF which has been considered for a long time to be of low conductivity and attracted low attention as a result of the difficulty of its formation and poor conductivity.     

Factors responsible for the aggregation behavior of hydrophobic polyelectrolyte PEA in aqueous solution studied by molecular dynamics simulations

Self-association (i.e. interchain aggregation) behavior of atactic poly(ethacrylic acid) PEA in dilute aqueous solution as function of degree-of-neutralization by Na⁺ counter-ions (i.e. charge fraction f) was investigated by molecular dynamics simulations. Aggregation is found to occur in the range 0 ≤ f ≤0.7 in agreement with experimental results compared at specified polymer concentration C_p = 0.36 mol/l in dilute solution. The macromolecular solution was characterized and analysed for radius-of-gyration, torsion angle distribution, inter and intra-molecular hydrogen bonds, radial distribution functions of intermolecular and inter-atomic pairs, inter-chain contacts and solvation enthalpy. The PEA chains form aggregate through attractive inter-chain interaction via hydrogen bonding, in the range f < 0.7, in agreement with experimental observation. The numbers of inter-chain contacts decreases with f. A critical structural transition occurs at f = 0.7, observed via simulations for the first time, in R_g as well as inter-chain H-bonds. The inter-chain distance increases with f due to repulsive interactions between COO− groups on the chains. PEA-PEA electrostatic interactions dominant solvation enthalpy. The PEA solvation enthalpy becomes increasingly favorable with increase in f. The transition enthalpy change, in going from uncharged (acid) state to fully charged state (f = 1) is unfavorable towards aggregate formation.     

Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulations

In general, peptides do not exhibit a well-defined conformational profile in solution. However, despite the experimental blurred picture associated with their structure, compelling spectroscopic evidence shows that peptides exhibit local order. The conformational profile of a peptide is the result of a balance between intramolecular interactions between different atoms of the molecule and intermolecular interactions between atoms of the molecule and the solvent. Accordingly, the conformational profile of a peptide will change upon the properties of the solvent it is soaked. To get insight into the balance between intra- and intermolecular interactions on the conformational preferences of the peptide backbone we have studied the conformational profile of the alanine dipeptide in diverse solvents using molecular dynamics as sampling technique. Solvents studied include chloroform, methanol, dimethyl sulfoxide, water and N-methylacetamide. Different treatments of the solvent have been studied in the present work including explicit solvent molecules, a generalized Born model and using the bulk dielectric constant of the solvent. The diverse calculations identify four major conformations with different populations in the diverse solvents: the C₇^eq only sampled in chloroform; the C₅ or extended conformation; the polyproline (PII) conformation and the right-handed α-helix conformation (α_R). The results of present calculations permit to analyze how the balance between intra- and intermolecular interactions explains the populations of the diverse conformations observed.     

A compact hybrid feature vector for an accurate secondary structure prediction

Amino acid propensity score is one of the earliest successful methods used in protein secondary structure prediction. However, the score performs poorly on small-sized datasets and low-identity protein sequences. Based on current in silico method, secondary structure can be predicted from local folds or local protein structure. In biology, the evolution of secondary structure produces local protein structure with different lengths. To precisely predict secondary structures, we propose a derivative feature vector, DPS that utilizes the optimal length of the local protein structure. DPS is the unification of amino acid propensity score and dihedral angle score. This new feature vector is further normalized to level the edges. Prediction is performed by support vector machines (SVM) over the DPS feature vectors with class labels generated by secondary structure assignment method (SSAM) and secondary structure prediction method (SSPM). All experiments are carried out on RS126 sequences. The results from this proposed method also highlight the overall accuracy of our method compared to other state-of-the-art methods. The performance of our method was acceptable specifically in dealing with low number and low identity sequences.