Determination of photochemically produced hydroxyl radicals in seawater and freshwater

A variety of short-lived, reactive chemical species (i.e. free radicals and excited state species) are known to be photochemically produced in natural waters. Some of these transients may strongly affect chemical and biological processes, and they have been implicated in the degradation of organic pollutants and natural organic compounds in aqueous environments. Previous studies demonstrated that the highly reactive hydroxyl radical (OH) is photochemically formed in seawater. However, the quantitative importance of this key species in the sea has not been previously studied because of past analytical limitations. By using a highly sensitive probe based on α-H atom abstraction from methanol, we were able to measure production rates and steady-state concentrations of photochemically produced OH radicals in coastal and open ocean seawater and freshwaters. The validity of the method was tested by intercalibrating with an independent, OH-specific reaction, hydroxylation of benzoic acid, and also by competition kinetics experiments. Our OH production rates and steady-state concentrations for freshwaters are in excellent agreement with those measured by previous investigators for similar waters. In contrast, for seawater, the values we measured are 1–3 orders of magnitude higher than previously predicted by models, indicating that there is a major unknown photochemical OH source (s) in seawater.

针对实时视觉通信的图像序列自动提炼

本文提出了一项新技术,它可以实现从任意的图像序列中自动提炼出简洁的表达方式,以便进行高效的视觉通信.我们认为,视觉通信的全过程可分为视频数据的传输和人眼对视觉信号的理解两个阶段.因此,本文以心理学中人对图像的认知规律的相火理论为指导,专注于研究如何同时提高图像的可压缩性和可理解性.我们借助一个缘提取算法来保留对人的视觉系统最为敏感的物体边界,再用一个非线性扩散算法减弱无足轻重的细节信号.为了使最终生成的动画保持时间上的一致性,本文的技术方案是在骼个时空域上没计的.而我们依然能够保持实时的处理速度,因为该方法可以方便地使用GPU作并行计算.为了演示新技术的实用性,我们还建立了一个以本文算法作为处理内核的完整的视觉通信系统并在该系统进行所有实验.统计数据表明,本文方法不仅可以明显地降低传输带宽,而且提高了图像序列的可理解性.

对时间自动机进行空性检测的过程和改进

为了提高对时间自动机进行空性检测的效率,研究了使用基于时钟区域(zone)的符号化方法和抽象对时间自动机进行空性检测,提出了针对时间自动机自身特点对检测过程进行改进的方法。通过使用基于zone的符号化表示方法和抽象,一个符号化状态表示显式的状态的集合,时间自动机的状态空间会显著缩小,不同的抽象方法对状态空间有不同的效果。符号化状态间不仅有相等关系还有包含关系,通过判断这种包含关系可以尽早的找到接收路径和避免不必要的状态展开从而提高空性检测的效率。实现了改进的检测过程,对一些例子进行了数据比较,取得了较好的实验结果。

Synthesis and reactivity of rare earth metal alkyl complexes stabilized by anilido phosphinimine and amino phosphine ligands

Anilido phosphinimino ancillary ligand H2L1 reacted with one equivalent of rare earth metal trialkyl [Ln{CH2Si(CH3)(3)}(3)(thf)(2)] (Ln = Y, Lu) to afford rare earth metal monoalkyl complexes [L(1)LnCH(2)Si(CH3)(3)(THF)] (1a: Ln = Y; 1b: Ln = Lu). In this process, deprotonation of H2L1 by one metal alkyl species was followed by intramolecular C-H activation of the phenyl group of the phosphine moiety to generate dianionic species L-1 with release of two equivalnts of tetramethylsilane. Ligand L-1 coordinates to Ln(3+) ions in a rare C,N,N tridentate mode. Complex 1a reacted readily with two equivalents of 2,6-diisopropylaniline to give the corresponding bis-amido complex [(HL1)LnY(NHC(6)H(3)iPr(2)-2,6)(2)] (2) selectively, that is, the C-H activation of the phenyl group is reversible. When 1a was exposed to moisture, the hydrolyzed dimeric complex [{(HL1)Y(OH)}(2)](OH)(2) (3) was isolated. Treatment of [Ln{CH2Si(CH3)(3)}(3)-(thf)(2)] with amino phosphine ligands HL2-R gave stable rare earth metal bisalkyl complexes [(L2-R)Ln{CH2Si(CH3)(3)}(2)(thf)] (4a: Ln=Y, R=Me; 4b: Ln=Lu, R=Me; 4c: Ln=Y, R=iPr; 4d: Ln=Y, R=iPr) in high yields. No proton abstraction from the ligand was observed. Amination of 4a and 4c with 2,6-diisopropylaniline afforded the bis-amido counterparts [(L2-R)Y(NHC(6)H(3)iPr(2)-2,6)(2)(thf)] (5a: R=Me; 5b: R=iPr).

Correlation analysis of the structures and stability constants of gadolinium(III) complexes

To simplify the abstraction of descriptors, for the correlation analysis of the stability constants of gadolinium(III) complexes and their ligand structures, aiming at gadolinium(III) complexes, we only considered the ligands and ignored the common parts of the structures, i.e., the metal ions. Quantum-chemical descriptors and topological indices were calculated to describe the structures of the ligands. Multiple regression analysis and neural networks were applied to construct the models between the ligands and the stability constants of gadolinium(III) complexes and satisfactory results were obtained.

Hydrogel of biodegradable cellulose derivatives. I. Radiation-induced crosslinking of CMC

Radiation crosslinking of carboxymethylcellulose (CMC) with a degree of substitution (DS) from 0.7 to 2.2 was the subject of the current investigation. CMC was irradiated in solid-state and aqueous solutions at various irradiation doses. The DS and the concentration of the aqueous solution had a remarkable affect on the crosslinking of CMC. Irradiation of CMC, even with a high DS, 2.2 in solid state, and a low DS, 0.7 in 10% aqueous solution, resulted in degradation. However, it was found that irradiation of CMC with a relatively high DS, 1.32, led to crosslinking in a 5% aqueous solution, and 20% CMC gave the highest gel fraction. CMC with a DS of 2.2 induced higher crosslinking than that with a DS of 1.32 at lower doses with the same concentration. Hence, it was apparent that a high DS and a high concentration in an aqueous solution were favorable for high crosslinking of CMC. It is assumed that; high radiation crosslinking of CMC was induced by the increased mobility of its molecules in water and by the formation of CMC radicals from the abstraction of H atoms from macromolecules in the intermediate products of water radiolysis. A preliminary biodegradation study confirmed that crosslinked CMC hydrogel can be digested by a cellulase enzyme. (C) 2000 John Wiley & Sons, Inc.

Mass spectrometric evidence for the generation of benzyne from benzoyl peroxide in thermolysis

Benzoyl peroxide gave rise to benzoic acid (at m/z 122) in its electron impact mass spectrum, and its perdeuterated counterpart produced perdeuterobenzoic acid, C6D5CO2D, at m/z 128 under the same conditions, An intramolecular hydrogen abstraction is proposed for the formation of benzoic acid from the peroxide in thermolysis. As a result of this reaction, benzyne would be generated simultaneously. Anthracene was employed to trap any of the reactive intermediate benzyne. Collision-induced dissociation of the ion of m/z 254 from the mixture of benzoyl peroxide and anthracene indicated that triptycene was obtained by the trapping reaction, therefore confirming that benzyne is generated from benzoyl peroxide in thermolysis.

CHEMICAL-IONIZATION MASS-SPECTROMETRY OF BENZOYL PEROXIDE - A RADICAL AROMATIC-SUBSTITUTION RESULTING IN BIPHENYLCARBOXYLIC ACID IN THE GAS-PHASE

A radical aromatic substitution resulting in biphenylcarboxylic acid is inferred for the decomposition of benzoyl peroxide from the chemical ionization and collision-induced dissociation mass spectra. The thermolysis of benzoyl peroxide gives rise to a benzoyloxy radical, which undergoes rapid decarboxylation and hydrogen abstraction leading to phenyl radical and benzoic acid, respectively. Attack of the resulting phenyl radical on the benzoic acid results in bipbenylcarboxylic acid. On the other hand, the phenyl radical abstracts a hydrogen atom to yield benzene, which is then subjected to the attack of a benzoyloxy radical, affording phenyl benzoate. This substitution reaction rather than the recombination of benzoyloxy and phenyl radicals is found to be responsible for the formation of phenyl benzoate under the present conditions.

CIMS设计过程中存在的一些问题及解决方案

提出了一种新的集成的I2 DEF方法 ,并介绍了与之配套的设计开发工具 ,用以支持大型复杂信息系统的设计与开发 ,它可以成功地解决计算机集成制造系统设计开发过程中遇到的许多问题。本文指出了我国CIMS工程存在的问题 ,分析了这些问题产生的原因 ,并结合企业实际给出了应用I2 DEF方法的解决方案。

对象互操作的行为模型

对象互操作表达了一组对象在完成某一任务时的动态协作关系，对象互操作的行为描述与抽象是支持面向应用对象互操作的基础．对此，提出一种活动模型作为描述对象互操作行为的方法．该方法以一阶时态逻辑为基础，表达了互操作对象之间交换消息的时态顺序和不同活动之间的行为关系．在该方法中，提出了活动特化和活动聚合两种行为抽象机制，实现了对象互操作行为的复用．最后讨论了给定论域的类模式和活动模式的一致性集成问题。

实现多数据源集成与互操作的扩展视图方法

文中针对多数据源集成与互操作提出了一种扩展视图方法．其基本思想是：以扩展对象模型（ＥＯＭ）为理论基础，通过扩展视图方法实现对多种数据源中的数据（对象）进行多层抽象与封装，以此满足分布环境下不同层次的应用集成需求．文中还讨论了扩展对象模型（ＥＯＭ）、基于扩展视图方法的集成机制，并结合具体的实例给出了扩展视图方法的形式化描述。

关于参数规划在自治智能移动式机器人中实际应用的探讨

机器人行走空间的复杂性决定了导航监控系统不仅为机器人提供行走路线,还要依据预先得到的先验数据与知识告诉机器人不同行走段的障碍分布、环境边界走向及约束程度,按照载体的几何形状,运动特性选择合适的速度、加速度,保证在安全的前提下最快完成行走.本文讨论了提取影响机器人当前行走的障碍、环境边界算法和不同行走速度段的划分与关键点抽取方法,讨论了各种速度段的分离、合并、高速行走段的插补和过短行走段的平滑滤除等等.

黄骅坳陷马东地区沙河街组重力流水道储层评价及剩余油研究

In this paper, taking Madong district of Huanghua depression as a case, based on the theory of sequence stratigraphy, sedimentology, reservoir geology and geophysics, according to core analysis, seismic attribute analysis, logging constrained inversion, multi-data correlation of strata, reservoir modeling, etc. the lower and middle first member of Shahejie formation of the study area was forecasted and evaluated. As a result, a number of reservoir prediction and remaining oil distribution methods suitable to oil exploitation of gravity flow channel reservoir are presented. Scientific foundation is provided to the next adjustment of development program and exploitation of the remaining oil. According to high resolution sequence stratigraphy theory, precise stratigraphic framework was founded, the facies types and facies distribution were studied under the control of stratigraphic framework, the technologies of seismic attribute abstraction and logging constrained inversion. Result shows that gravity flow channel, as the main facies, developed in the rising period of base-level cycle, and it was formed during the phase of contemporaneous fault growth. As the channel extends, channel width was gradually widened but thickness thined. The single channels were in possession of a great variety of integrated modes, such as isolated, branching off, merging and paralleling, forming a kind of sand-mud interblending complex sedimentary units. Reservoir quality differs greatly in vertical and horizontal direction, and sedimentary microfacies is main controlling factor of the reservoir quality. In major channel, deposition thickness is great, and petrophysical property is well. While in marginal channel, reservoir is thinner, and petrophysical property is unfavorable. Structure and reservoir quality are main factors which control the oil and gas distribution in the study area. On the basis of the research about the reservoir quality, internal, planar and 3-D reservoir heterogeneities are characterized, and the reservoir quality was sorted rationally. At last, based on the research of reservoir numerical simulation of key well group, combined with reservoir performance analysis and geological analysis above, remaining oil distribution patterns controlled by internal rhythm of gravity flow channel were set up. Through this research, a facies-restrained reservoir prediction method integrating multi-information was presented, and potential orientation of remaining oil distribution in gravity flow channel reservoir is clarified.

单（多）井抽灌对浅部地温场的影响研究

The technique of energy extraction using groundwater source heat pumps, as a sustainable way of low-grade thermal energy utilization, has widely been used since mid-1990's. Based on the basic theories of groundwater flow and heat transfer and by employing two analytic models, the relationship of the thermal breakthrough time for a production well with the effect factors involved is analyzed and the impact of heat transfer by means of conduction and convection, under different groundwater velocity conditions, on geo-temperature field is discussed.A mathematical model, coupling the equations for groundwater flow with those for heat transfer, was developed. The impact of energy mining using a single well system of supplying and returning water on geo-temperature field under different hydrogeological conditions, well structures, withdraw-and-reinjection rates, and natural groundwater flow velocities was quantitatively simulated using the finite difference simulator HST3D. Theoretical analyses of the simulated results were also made. The simulated results of the single well system indicate that neither the permeability nor the porosity of a homogeneous aquifer has significant effect on the temperature of the production segment provided that the production and injection capability of each well in the aquifers involved can meet the designed value. If there exists a lower permeable interlayer, compared with the main aquifer, between the production and injection segments, the temperature changes of the production segment will decrease. The thicker the interlayer and the lower the interlayer permeability, the longer the thermal breakthrough time of the production segment and the smaller the temperature changes of the production segment. According to the above modeling, it can also be found that with the increase of the aquifer thickness, the distance between the production and injection screens, and/or the regional groundwater flow velocity, and/or the decrease of the production-and-reinjection rate, the temperature changes of the production segment decline. For an aquifer of a constant thickness, continuously increase the screen lengths of production and injection segments may lead to the decrease of the distance between the production and injection screens, and the temperature changes of the production segment will increase, consequently.According to the simulation results of the single well system, the parameters, that can cause significant influence on heat transfer as well as geo-temperature field, were chosen for doublet system simulation. It is indicated that the temperature changes of the pumping well will decrease as the aquifer thickness, the distance between the well pair and/or the screen lengths of the doublet increase. In the case of a low permeable interlayer embedding in the main aquifer, if the screens of the pumping and the injection wells are installed respectively below and above the interlayer, the temperature changes of the pumping well will be smaller than that without the interlay. The lower the permeability of the interlayer, the smaller the temperature changes. The simulation results also indicate that the lower the pumping-and-reinjection rate, the greater the temperature changes of the pumping well. It can also be found that if the producer and the injector are chosen reasonably, the temperature changes of the pumping well will decline as the regional groundwater flow velocity increases. Compared with the case that the groundwater flow direction is perpendicular to the well pair, if the regional flow is directed from the pumping well to the injection well, the temperature changes of the pumping well is relatively smaller.Based on the above simulation study, a case history was conducted using the data from an operating system in Beijing. By means of the conceptual model and the mathematical model, a 3-D simulation model was developed and the hydrogeological parameters and the thermal properties were calibrated. The calibrated model was used to predict the evolution of the geo-temperature field for the next five years. The simulation results indicate that the calibrated model can represent the hydrogeological conditions and the nature of the aquifers. It can also be found that the temperature fronts in high permeable aquifers move very fast and the radiuses of temperature influence are large. Comparatively, the temperature changes in clay layers are smaller and there is an obvious lag of the temperature changes. According to the current energy mining load, the temperature of the pumping wells will increase by 0.7°C at the end of the next five years. The above case study may provide reliable base for the scientific management of the operating system studied.