Role of Bipolar Pulsed DBD on the Growth of <Emphasis Type="Italic">Microcystis aeruginosa</Emphasis> in Three-Phase Discharge Plasma Reactor

Algae in drinking water supplies often bring about impact on the water treatment. In this study, a bipolar pulsed dielectric barrier discharge system in three-phase discharge plasma reactor was constructed for investigating its ability to control excessive growth of cyanobacteria, Microcystis aeruginosa. Experimental results show there was almost no change in optical density immediately after the interruption of electrical discharge, but the decreasing trend of optical density, cell density and chlorophyll-a content was obvious during the incubation period, indicating a significant residual effect of electrical discharge process on the algal growth inhibition. Scanning electron microscopy investigation of algae revealed surface damage, apparent leakage of intracellular contents and pores formed after electrical discharge process, which showed that algal cells had no potential to survive and grow. Compared with the control sample, it was observed that electrical discharge on the algal extracellular products has almost no residual effect and the growth rate of algae slightly decreased before three days storage. Hydrogen peroxide was produced by electrical discharge in the μM level and showed a first-order decay. But at such level, the external addition of hydrogen peroxide alone is not likely to cause the residual effect. These results implicated that the growth inhibition of M. aeruginosa was mainly caused by electrical discharge process, and it made the algal cells lose ability to survive, demonstrating the considerable potential of such an alternative process for efficient water purification.     

Si(CH3)3Cl分子电离电势和化学键能的测定

The photoionization spectroscopy of Si(CH3)3Cl in the range of 50 -130 nm was studied with synchrotron radiation source. The adiabatic ionization potentials of molecule Si(CH3)3Cl and radical Si(CH3)3 are 10.06 ±0.02 eV and 7.00±0.03 eV respectively. In addition, the appearance potentials of Si(CH3)2Cl+, Si(CH3)3+, SiCl+ and SiCH3+ were determined:
AP(Si(CH3)2Cl+) ＝10.49±0.02eV, AP(Si(CH3)3+) ＝ 11.91 ±0.02eV
AP(SiCl+) ＝ 18.64 ±0.06eV, AP(SiCH3+)＝ 18.62 ±0.02eV
From these, some chemical bond energies of Si(CH3)3Cl+ were calculated:
D(Si(CH3)2Cl+ - CH3) ＝0.43 ±0.02eV, D(Si(CH3)3+ - Cl) ＝ 1.85 ± 0.02eV
D(SiCH3+ - (2CH3 ＋ Cl)) ＝ 8.56 ± 0．06eV, D(SiCH3+ - 2CH3) ＝6.71±0．06eV
D(SiCl+ - 3CH3) ＝ 8.58 ± 0.06eV, D(SiCl＋- 2CH3) ＝ 8.15 ±0.06eV
D(SiCH3+- (CH3 ＋ Cl)) ＝8.13 ±0.06eV     

SEDIMENTO-DYNAMIC CHARACTERISTICS OF THE HUANGHE (YELLOW) RIVER SUBAQUEOUS DELTA

The runoff of the Huanghe contains a great amount of suspended load and forms the high-density underflows (hyperpycnal currents) at the river mouth. The sediments over the subaqneous delta are mainly transported by the underflow. The sediment texture gradually get fining seawards, which relates to the attenuation of the hyperpycnal currents and hypopycnal plumes. Being hydraulically equivalent to the medlum-silt-sized quartz, which is the dominant component in the sediments, the clastic mica concentrates on the delta. The maximum thickness of the subaqueous delta is about 16m and the period of accumulation lasted from 12 to 16 years, therefore its sedimentary rate ranges from 110 to 130 cm/a.     

Properties of strong hydrogen-bonded systems: The formation of hydrogen-bonded ion pair in amine·HCL systems

The hydrogen-bonded complexes between CH₃NH₂ and (CH₃)₂NH with HCl have been studied by the ab initio molecular orbital method using the 4–31G basis set. Calculations show that the proton potential curve has a single minimum near to the nitrogen atom in both complexes. This means that the proton has been transferred from HCl to the amine. ΔE and the dipole moment of the complexes studied are as follows: ?18.2 kcal mol^?1, 10.3 D for methylamine ·HCl, and ?21.7 kcal mol^?1 11.1 D for the corresponding dimethylamine complex. Other properties of the hydrogen-bonded ion pairs are discussed.     

一种确定氧化数的新方法

氧化数是元素的重要性质,在无机化学中应用广泛。长期以来,确定元素氧化数主要根据桐山良一和鲍林等建立的规则,这些规则对于氧化数概念在化学中的推广普及起了很大的作用,但在遇到结构复杂或未知化合物时有时仍然会出现问题。本文根据IUPAC的氧化数定义提出,氧化数完全取决于成键两原子之间的电子供需关系,元素的最高正氧化数受到其原子价层电子数的限制,而元素的最低负氧化数受到同周期稀有气体元素外层电子数与其价层电子数差值的限制,据此建立了确定元素氧化数的新方法,该方法既不需要考虑分子结构,也不依赖元素氧化数的习惯规定,符合氧化数概念提出的初衷,简便易行,例外情况少,不仅适合大学化学教学,也适合中学化学教学。     

基础化学实验教学的新理念——再议实验教学之本质

最近20年以来,国内高校的本科基础化学实验教学从理念、内容、标准,到组织机构和评价方法,都经历了一系列变化和改革。立足于新的历史机遇和时代,有必要深刻理解和厘清本科阶段基础化学实验教学的本质和角色,既不轻视和简慢其地位、也不夸大和拔高其效用;须还基础实验教学以其本来面目,着重深挖其在传播"第三类知识"(Knowhow)以及培养"元认知"能力当中的不可替代作用,才能在化学实验教学改革大潮中不懈怠、不迷惘。     

应用超高效液相色谱-四极杆-飞行时间质谱建立茶叶中农药残留的筛查与确证方法

基于超高效液相色谱-四极杆-飞行时间质谱(UPLC-QTOF-MS),使用UNIFI软件建立91种农药残留的筛查与确证方法,进行定性方法验证并应用于流通市场中茶叶的筛查检测。通过对收集的农药认证标准物质(CRM)分析,构建91种农药化合物的质谱数据库。样品经乙腈提取,固相萃取柱净化,Acquity BEH C18色谱柱分离,在MS^E模式下进行全信息采集(ESI+), UNIFI软件对数据进行匹配分析。设置保留时间最大偏差为±0.1 min,精确质量偏差阈值为±5×10^-6,可识别加合物形式包括[M+H]⁺、[M+Na]⁺、[M+K]⁺、[M+NH₄]⁺。参照SANTE/11813/2017指南进行定性方法学验证。在21份茶叶样品中添加混合标准溶液至4个水平(0.01、0.05、0.10、0.20 mg/kg),确定每种农药在茶叶样品中的筛查检出限(SDL),共评估了1911种农药/样品组合。发现有66种农药的SDL为0.01 mg/kg, 8种农药的SDL为0.05 mg/kg, 1种农药的SDL为0.10 mg/kg, 3种农药的SDL为0.20 mg/kg,共有13种农药的SDL大于0.20 mg/kg。一种农药在筛查检测中存在基质抑制效应。最后,应用建立的方法分析了流通市场中22份茶叶样品的农药残留情况,从6份茶叶样品中筛查检测出6种农药化合物,经人工鉴定均为阳性。该法为茶叶中农药残留的高通量筛查检测提供了参考。     

重量法测定土壤水溶性盐总量的优化

土壤水溶性盐是表征土壤盐碱化程度的重要指标,也是评价耕地地力的重要参数,被纳入第三次全国土壤普查（“三普”）监测指标体系中。重量法是测定土壤水溶性盐总量的最常用方法,其测定过程易受多种因素影响,导致其测定结果不准。鉴于此,本文设计试验分别验证了水溶性盐浸提和浸提液固液分离这两个过程对测定结果的影响,结果表明浸提液固液分离是影响土壤水溶性盐总量测定准确度和精密度的主要因素。基于此进一步探究4种不同固液分离方式（布氏漏斗过滤、滤膜真空抽滤、离心、滤纸组合过滤）对测定结果的影响,结果表明相较于其它方式,滤纸组合过滤测定结果准确度高,适用于土壤水溶性盐总量的测定。对改进后的重量法测定土壤水溶性盐总量进行方法学确认,结果表明其检出限为0.01 g/kg,测定下限为0.04 g/kg;方法的准确度和精密度、适用范围等均符合相关要求。本文推荐的土壤水溶性盐总量测定方法为：土壤样品采用1:5土水比浸提,180 r/min振荡3 min,浸提液采用滤纸组合自然过滤;其测定结果的准确度和精密度符合相关要求。本文旨在为“三普”内业检测提供参考和借鉴,为全面摸清不同区域土壤水溶性盐含量水平及土壤盐渍化程度提供技术支撑。     

基于样本库的人脸图像处理方法

本文给出了一种基于样本库的人脸图像超分辨率方法,这一方法结合了人脸图像全局相似性和局部特征相似性的约束.局部结构的相似性将超分辨率解约束到人脸局部结构空间,不同尺度上的局部相似性指导搜索最优解,然后将局部结构重建的人脸图像投影到由人脸图像确定的特征人脸空间.实验结果表明该算法得到的人脸具有很好的准确性和视觉效果.     

Regioselectivity Study on Propylene Polymerization Catalyzed by Neutral Salicyladiminato Pd（Ⅱ） Model Complex with DFT Method

Many attempts have been made to control the regioselectivity for olefin polymerization by varying the structures of ligands in catalysts. The regioselectivity of propylene polymerization was investigated by replacing a nitrogen atom in the Pd(Ⅱ) diimine catalyst with an oxygen atom from density functional theory method at the B3LYP/LANL2DZ level. The results show that the 1,2-insertion becomes a rival mechanism to the 2,1-insertion when the nitrogen atom is replaced by the oxygen atom leading to an asymmetric environment in the catalyst, and that the steric effect in the asymmetrical catalyst plays an important part in the polymerization. The insertion barrier from 2-O is much higher than that from 2-N. A pyramid transition state was characterized for the catalyst to convert 2-O back to 2-N through internal rotation. The propylene prefers to coordinate at the opposite side of O in the catalyst. This is the driving force for the internal rotation.The results are significant for isotactic and syndiotactic polymerization.