Black fungus derived aerogel with double faced properties

Black fungus aerogel (BFA) exhibited interesting double-faced properties. Weexplored the diverse properties of each side of the black fungus in three aspects:water contact angle measurements, liquid selective absorption capacity and air pollutant adsorption abilities.     

Recovery of palladium from basic reprocessing waste of spent nuclear fuel

The methods including collection method, extraction-collection method, and special extraction-collection method have been investigated for high speed and efficient recovery of palladium from high pH reprocessing waste of spent nuclear fuel. The equilibrium of the reactions can be obtained is less than 1 minute. The maximum percent recovery of Pd is about 89%, 96% and 97% for collection, extraction-collection, and special extraction-collection methods, respectively. Nearly 100% of back extraction of Pd in the organic phase can be attained by using 7.4M ammonia solution, with a phase ratio of 1:1. The purity of the Pd product is high. The percent recovery of Pd is constant, up to 5·10³ Gy of irradiation dose.     

Ring-opening Polymerization of e-Caprolactone Using Lanthanide Tris(4-tert-butylphenolate)s as a Single-component Initiator

The ring-opening polymerization of e-caprolactone (CL) initiated by novel single lanthanide tris(4-tert-butylphenolate)s [Ln(OTBP)3] is reported. Single-component La(OTBP)3 can effectively prepare polycaprolactone (PCL) with over 90% yield and viscosity average molecular weight about 60 x 10 under quite mild conditions: molar ratio of CL to initiator is 1000, 60 C, 2 h in toluene. Mechanism study indicates that the monomer inserts into the growing chain via the break of acyl-oxygen bond of CL.     

Degradation of ferric EDTA by Burkhol cepacia

EDTA, the target compound of this study from the effluent of secondary biotreatment units, can be biodegraded by special microorganisms. So far, there are three species of microorganisms—Agrobacterium, Gram-negative BNCI, and DSM9103—that can degrade EDTA and are published in the literature. We have successfully isolated a bacterial strain that can degrade EDTA. It was identified as Burkhol cepacia, an aerobic species, elliptically shaped with a length of 5–15 μm. The growth medium contains 1000 mg/L of ferric-EDTA as carbon source, 750 mg/L of (NH₄)₂SO₄+(NH₂)₂CO as nitrogen source, and 1000 mg/L of KH₂PO₄ as phosphorus source, and mineral factors such as Fe and Mg. Incubated at pH, 7.0, 30°C, and 150 rpm on a shaker for 15 d, the average specific growth rate of this microbe is 0.135 d⁻¹, which shows that the respective degradation efficiency of Fe-EDTA and Cu-EDTA is 90 and 75% individually.     

Infrared and electronic spectra of copper (II) complex of maleonitriledithiolate and 4,4'-dimethyl-2, 2'-bipyridine and their theoretical studies

The molecular structure and binding, as well as infrared and electronic spectroscopic properties for the title complex Cu(mnt)(dmbpy)(mnt(2-)=maleonitriledithiolate, dmbpy=4,4'-dimethyl-2,2'-bipyridine) were studied in this paper. With semi-empirical PM3 and non-empirical DFT (B3LYP/6-311G*) methods, the molecular geometry of the complex was optimized and corresponding vibrational spectra in the gaseous state were obtained. The calculated results derived from DFT were more reasonable than those from PM3. The point group of Cu(mnt)(dmbpy) in isolated gaseous state was C(2), in which Cu(II) adopted a distorted tetrahedral geometry and the dihedral angle between the N(2)Cu and S(2)Cu planes was about 29.814 degrees. And a complete assignment to the IR spectra of such a complicated molecule was exhibited. With ZINDO/S method an electronic spectrum was calculated. The results showed that the calculated values generally agreed with the observed ones. And a detailed explain was made on its electronic spectra.     

贵金属同时浮选分离富集行为的研究及ICP－AES的测定

本文通过对贵金属－碘化钾－孔雀绿显色体系的浮选行为研究，建立了一种同时浮选富集分离铂、钯、铑、铱、金的新方法。实验结果表明，在０．３６ｍｏｌ／ＬＨＣｌ０．１ｍｏｌ／ＬＫＩ和２．４×１０￣（－４）ｍｏｌ／ＬＭＧ的溶液中，加入环已烷振荡１ｍｉｎ，铂、钯、铑、铱、金可被定量浮选，继而用ＩＣＰ－ＡＥＳ测定。对含量为５～１５０μｇ的贵金属，浮选回收率分别为铂８８．６％～９５．７％，钯９２．３％～９９．５％，铑９３．７％～１０１％，铱９２％～９８．５％，金８６．４％～９４％。方法应用于铜镍矿、铂网废料等物料中上述贵金属元素的测定，结果满意。     

铁钼硫原子簇化合物的合成与结构化学 Ⅵ.[MoFe_3S_4]双类立方烷化合物的循环伏安及穆谱研究

我们曾报道双类立方烷簇合物(Et_4N)_4[Mo_2Fe_7S_8(SR)_(12)](R=Ph,1;R=o-tolyl,2;R=m-tolyl,3;R=p-tolyl,4)的结构,磁性质,及化学反应.氧化还原酶的固氮酶,其活性部位的 Mo 和 S 元素,可以发生丰富的氧化还原反应,研究这类铁钼硫簇合物的氧还性质,对了解电子传递情况是极为有用的.     

Carbon anode materials from polysiloxanes for lithium ion batteries

Three kinds of silicon-containing disordered carbons have been prepared by pyrolysis of polysiloxanes with different amounts of phenyl side groups. X-ray powder diffraction, X-ray photoelectron spectroscopy and electrochemical capacity measurements were performed to study their behaviors. Graphite crystallites, micropores, and silicon species affect their electrochemical performances. All of them present high reversible capacities, >372 mAh/g. Since the graphite crystallites are very small, they contribute very little to reversible capacity. The number of micropores produced by gas emission during the heat-treatment process decides whether they exhibit reversible capacity. Si mainly exists in the form C–Si–O and influences the irreversible capacity. There is no evident capacity fading in the first ten cycles, indicating promising properties for these disordered carbons.     

QSAR models using a large diverse set of estrogens

Endocrine disruptors (EDs) have a variety of adverse effects in humans and animals. About 58,000 chemicals, most having little safety data, must be tested in a group of tiered assays. As assays will take years, it is important to develop rapid methods to help in priority setting. For application to large data sets, we have developed an integrated system that contains sequential four phases to predict the ability of chemicals to bind to the estrogen receptor (ER), a prevalent mechanism for estrogenic EDs. Here we report the results of evaluating two types of QSAR models for inclusion in phase III to quantitatively predict chemical binding to the ER. Our data set for the relative binding affinities (RBAs) to the ER consists of 130 chemicals covering a wide range of structural diversity and a 6 orders of magnitude spread of RBAs. CoMFA and HQSAR models were constructed and compared for performance. The CoMFA model had a r2 = 0.91 and a q2LOO = 0.66. HQSAR showed reduced performance compared to CoMFA with r2 = 0.76 and q2LOO = 0.59. A number of parameters were examined to improve the CoMFA model. Of these, a phenol indicator increased the q2LOO to 0.71. When up to 50% of the chemicals were left out in the leave-N-out cross-validation, the q2 remained significant. Finally, the models were tested by using two test sets; the q2pred for these were 0.71 and 0.62, a significant result which demonstrates the utility of the CoMFA model for predicting the RBAs of chemicals not included in the training set. If used in conjunction with phases I and II, which reduced the size of the data set dramatically by eliminating most inactive chemicals, the current CoMFA model (phase III) can be used to predict the RBA of chemicals with sufficient accuracy and to provide quantitative information for priority setting.     

用θ-2θ型衍射仪测定溶液结构的新方法

叙述了用θ－２θ型Ｘ射线衍射仪精确测定电解质溶液结构的新实验技术。设计制作了具有恒温功能的超厚液体样品池，并建立了样品池窗口强度的校正方法。优化了液体Ｘ射线衍射数据和结构参数精细化的计算机程序，获得了非常令人满意的实验结果。由θ－２θ型Ｘ射线衍射仪精确测定的径向分布函数与θ－θ型衍射仪自由散射比较，表明ＤＲＦ分辨率有所提高。