The continuous wave and pulse resonant cavities were designed and manufactured for the pulsed electron paramagnetic resonance (EPR) spectrometer. The resonant cavity used for the continuous wave EPR was a rectangular resonator, and the pulse resonant cavity adopted the structure of planar microresonator. The software of 3D electromagnetic simulation, Ansoft-HFSS, were used for simulation. The parameters of the designed resonators were evaluated with the network analyzer. The experimental data were found to be consistent with those of theoretical simulation.

The free radicals in polyacrylonitrile (PAN) fibers induced by γ-ray irradiation and thermal treatment were studied using electron spin resonance (ESR) technique. The radicals produced by radiation in air and vacuum at room temperature were assigned primarily to alkyl (H abstraction from methine) and polyimine radicals. These radicals were found stable at room temperature, but decayed with increasing temperature in air until 150 ℃. A new type of radical was formed in original PAN fibers at 190 ℃ in air, and the concentration of the radical increased significantly with temperature. Much less radicals were formed if the PAN fibers were heated in vacuum. It could be speculated that the new type of radical observed was related to thermal-oxidation reactions. This type of radical was attributed to a polyenyl radical located on the conjugated structure, and the conjugation length increased with temperature.

TiO₂ and TiO₂ doped with Fe were synthetized by the sol-gel method with tetrabutyl titanate, absolute ethyl and alcoholglacial acetic acid as the raw materials at room temperature. Xerogel was collected after reaction for two days under room temperature and dried at 100 ℃. TiO₂ and Fe-doper powder samples were prepared by heating the xerogel at 500 ℃. The sampels were analyzed by X-ray diffraction and EPR techniques. The results showed that all samples made in this way were anatase, and Fe had been doped into the crystal lattice of TiO₂. With the increase of the dose of Fe doping, the signal intensity of Ti³⁺ oxidation center increased, and its peak moved towards the magnetic reducing direction.The signal intensity of Ti³⁺ oxidation center in Fe-doped 0.1% of Fe-TiO₂ samples also increased with temperatures, and its peak also moved towards the magnetic reducing direction. The results were explaned according to the theory of EPR and the reaction of TiO₂ and O₂.

Understanding coal combustion and spontaneous combustion are important for coal mine safety and high efficient utilization of coal resources. In this work, the  free radical reactions of pyrolysed vitrinite under aerobic conditions were investigated. Vitrinite sample at normal temperature and heatdecomposition products of vitrinite between 300 ℃ to 450 ℃ under aerobic condition were investigated by electron paramagnetic resonance (EPR). The EPR′s signals of the heat-decomposition products produced at 300 ℃, 350 ℃, 400 ℃ and 450 ℃ were collected at 25 ℃. Heating temperature-related changes in EPR signals were analyzed. It was found that the composition and concentration of paramagnetic centers changed with heating temperature, probably originated from that fact that different free radicals were produced from different organic components at different heating temperatures.

As a part of a pulsed electron paramagnetic resonance (EPR) spectrometer, a RF source based on direct digital synthesis (DDS) was developed and to generate RF pulses that are necessary for electron nuclear double-resonance (ENDOR) experiments. This RF source can generate RF pulses with fast- and accurately-modulated frequency, amplitude and phase, thus providing strong capacity to control nuclear spins.

The hydroxyl radical (·OH) has been considered to be one of the most reactive oxygen species produced in biological systems. It has been shown that ·OH can cause oxidative damage to DNA and other macromolecules. One of the most widely accepted mechanisms for ·OH production is through the transition metal-catalyzed Fenton reaction. Pentachlorophenol (PCP) has been widely used as a wood preservative. Using electron spin resonance (ESR) secondary spin-trapping methods, we found that ·OH can be produced by H₂O₂ and tetrachloro-1,4-benzoquinone (TCBQ) (one of the major carcinogenic metabolites of PCP) independent of transition metal ions. Further studies showed that TCBQ, but not its corresponding semiquinone radical, the tetrachlorosemiquinone radical, is essential for ·OH production. Based on these data, we propose that ·OH production by H₂O₂ and TCBQ is through the following novel mechanism: a nucleophilic attack of H₂O₂ to TCBQ, forming a trichloro-hydroperoxyl-1,4-benzoquinone intermediate, which decomposes homolytically to produce ·OH. Through complementary application of ESR spin-trapping and other methods, we also detected and identified, for the first time, a novel carbon-centered quinone ketoxy radical.

Actyl-CoA synthase/carbon monoxide dehydogenase (ACS/CODH) from anaerobic microbes is a Ni, Fe-containing metalloenzyme, which contains up to seven metal clusters. It catalyses the reversible conversion of CO₂ and CO, and utilizes CO and/or CO as carbon source and H₂ as energy to synthesize actyl-CoA. Interests in these enzymes have been increased in recent years due to energy crisis and environmental issues such as greenhouse effects. As one of the most effective techniques to detect the valence state and coordination of metals, EPR has been used to study the enzyme since 1980s. In this paper, the structures of metal clusters, function and catalytic mechanism of ACS/CODH studied by EPR were summarized and reviewed.

In oxygenic photosynthesis, photosystem II (PSII) catalyzes the water splitting/oxidation and O₂ release into the ambient atmosphere upon light absorption. The catalytic active site therein is an inorganic cluster consisted of 4 Mn, 1 Ca and 5 O. Electron paramagnetic resonance (EPR) spectroscopy plays a key role in the endeavor to elucidate the mechanism of water splitting. In this short review, we emphasized the interpretation of EPR spectra originating from different oxidized Mn₄O₅Ca clusters and from different magnetic interactions between the Mn₄O₅Ca cluster and a nearby tyrosine radical, combined with the methanol effects. The overall oxidation of two substrate water molecules is a stepwise and protoncoupled electron transfer.

This review introduces some of the pioneering works on radiolysis of polytetrafluoroethylene (PTFE), which started in the mid 1950s. The electron spin resonance (ESR) studies on radiation-induced radicals and their corresponding peroxy radicals in PTFE were reviewed, with respect to experimental conditions, irradiation dose, structures of PTFE powders (i.e., crystallinity and crosslinking).

Partially folded proteins, characterized as exhibiting secondary structure elements with loose or absent tertiary contacts, are important intermediates in physiological protein folding and under pathological conditions. Structural restraints derived from EPR and NMR spectroscopy can be used to test and build secondary, tertiary, and quaternary structural models as well as measure protein conformational changes in solution. Insertion of one or two cysteine residues into the protein backbone using molecular biology methods and the subsequent labeling of the cysteine residues with a paramagnetic spin label enables the techniques of both EPR and NMR to be used as the molecular spectroscopic ruler. Site-directed spin labeling electron paramagnetic resonance (SDSL-EPR) measures the dipolar interaction between pairs of paramagnetic spin labels to yield inter-nitroxide distances, while the method of paramagnetic relaxation enhancement (PRE) measured by NMR gives information on the distance between the spin labeling center and the nuclei. The inter-spin dipolar interactions at about 2.5 nm are measured using continuous wave (CW) EPR and NMR methods. As for any low-resolution distance methods, the positioning of the spin labels and the number of distance constraints to be measured are depends on the structural question being asked, thus a pattern approach for using distance sets to decipher structure mapping, including protein folds and conformational changes associated with biological activity, is essential.

Historical development and implementation methods of time-resolved electron paramagnetic resonance (TR-EPR) technology are reviewed. It is pointed out that the core of the TR-EPR technology is to collect a sequence of spectroscopic information. Recent technical devlopment of TR-EPR in China are summarized, as well as application researches using it as a tool. Chemically induced dynamic electron polarization (CIDEP) researches using TR-EPR equipment are reviewed. Last but not least, issues related to how to improve the time resolution of the TR-EPR equipment are discussed.

Time-resolved electron spin resonance (TR-ESR) is a powerful technique which can be used to detect and identify short-lived intermediates in photo-induced reaction. The chemically induced dynamic electron polarization (CIDEP) signal measured by the TR-ESR technique can provide rich information on the mechanism and dynamics of photochemical reaction. In this review,  the four CIDEP mechanisms and the home-made TR-ESR with balance reflection bridge-type circuit and zero difference beat balance mixing frequency model are introduced. The applications of TR-ESR in investigation on laser photolyzed radicals are summarized.

Many polymerization catalysts have different transition-metal centers. In situ- ESR can be used to monitor these transition metal centers having one or more unpaired electrons. Thus the reaction route and mechanisms of polymerization can be investigated by in situ ESR. In this paper, recent research progresses in ESR studies on catalysts for olefin polymerization are reviewed, including common olefin polymerization catalysts based on Ti, Ni, V and Cr.

In the past 50 years, the development of EPR spectroscopy in China can be roughly divided three stages. The starting stage is to build EPR instrumentation. The second stage involves investigations of experimental methods and applications in chemistry, biology, medicine and so on.  The latest stage is to investigate and design of new pulsed EPR instrument and application studies at higher levels. It is believed that more progresses of EPR in China will be seen in the future.

    为充分展示、交流和总结我国电子顺磁共振(EPR)波谱学在物理、化学、材料科学、环境科学、生命科学和医学等研究领域的最新研究成果，进一步促进我国电子顺磁共振波谱学的发展与整体学术水平的提高以及研制和开发拥有自主知识产权的先进的电子顺磁共振谱议，“2011年中国电子顺磁共振波谱学学术研讨会”于2011年4月22日～24日在安徽合肥中国科学技术大学召开. 本次研讨会的目的：通过学术交流，了解并分析我国电子顺磁共振波谱学应用研究和谱仪研制在国内外的现状，剖析当前EPR波谱学研究存在的瓶颈问题；探讨和凝炼我国未来物理、化学、材料科学、环境科学、生命科学和医学等学科在此领域中的发展方向；探讨EPR领域高水平人才培养问题. 有来自包括中国科学院化学研究所、 中国科学院武汉物理与数学研究所、中国科学院生态环境研究中心、中国科技大学、北京大学、复旦大学、浙江大学、南京大学等国内著名院所和高校的40余位专家学者参加了本次研讨会. 
    中国科学技术大学副校长朱长飞教授代表主办方致开幕辞，对“2011年中国电子顺磁共振波谱学学术研讨会”的召开表示衷心的祝贺！ 对各位专家、学者的到来表示热烈的欢迎！他希望各位专家通过广泛的学术交流与研讨，提出有利于科研创新的新建议；尤其在自主知识产权谱仪的研制方面，充分利用当前新形势下国家科技政策支持上的有利时机，大力开展由科学问题所引导的大型科研平台的研制. 同时，他还希望通过这次研讨会能够扩大中国科技大学在电子顺磁共振研究领域的影响，提升学术研究水平，推动相关学科的建设. 

    本次研讨会分为两大板块共4个专题（共15个会议学术报告），施蕴渝院士、刘朝阳、杜江峰、陈家富、张德清、汪志勇、朱本占等分别主持了相关专题报告. 在“自主知识产权磁共振波谱议的研制进展”专题中，刘朝阳研究员（中国科学院武汉物理与数学研究所）、 杜江峰教授（中国科学技术大学近代物理系）、欧阳钟文教授（华中科技大学）等介绍了各自所承担的磁共振谱仪的研制进展；在“电子顺磁共振波谱学于物理和材料科学中的应用研究”专题中，杜江峰教授介绍了磁共振技术于量子信息和量子调控中的利用，童伟副研究员（中国科学院强磁场科学中心）介绍了EPR于凝聚态磁性物理中的应用研究；在“电子顺磁共振波谱学于化学和化工中的应用研究”专题中，报告内容有EPR于有机自由基化学反应动力学和机理中的应用（张德清研究员，中国科学院化学研究所）、EPR与掺杂富勒烯的研究（刘子阳教授， 浙江大学化学系）、镍同位素⁶¹Ni的高效的化学分馏（苏吉虎教授，中国科学技术大学近代物理系）、EPR于重金属和废水处理微生物界面配位吸附作用（盛国平副教授，中国科学技术大学应用化学系）做了的研究；在“电子顺磁共振波谱学于生物和医学中的应用研究”专题中，有EPR于自由基生物反应动力学和机理中的研究（朱本占研究员，中国科学院生态环境研究中心）、EPR在肿瘤医学研究中的应用（邵吉民教授， 浙江大学医学院）、金属酶和金属蛋白的反应机理（谭相石教授，复旦大学化学系/生物医学研究院）、利用瞬态EPR（TRESR）研究维生素C与多环醌分子激发三重态反应（许新胜教授，安徽师范大学物理与电子信息学院）、EPR在蛋白质动力学分析和多结构域蛋白质结构解析中的应用（田长麟教授，中国科学技术大学生命科学学院）等，最后布鲁克中国公司的丘富荣工程师展示了该公司新开发的应用于工业中的EPR谱仪及其辅助设备，并介绍了其在质检、烟草和啤酒工业等方面的应用. 

    通过这些精彩的学术报告，现场提问并答疑，与会代表深切地感受到国内EPR研究的喜人形势，未来发展也令人鼓舞，如：谱仪研制的最新进展、量子计算与磁共振、非传统的同位素分馏、生命和医学中的金属蛋白/金属酶与疾病、环境科学、自旋探针标记等. 同时也看到了目前存在的一些问题，如：人才储备与培养、EPR支撑队伍的知识结构、EPR专业教科书缺乏等. 与会代表通过充分交流和讨论，肯定了研制具有我国自主知识产权谱仪的重要性、必要性和紧迫性， 一致认为随着各学科研究的不断深入和交叉，用户对谱仪性能提出了更高的技术要求；新研制的谱仪必将为国内科研小组抢占相关科学制高点提供强有力的技术支撑. 

    此外，本次研讨会还专门安排了自由讨论和交流的时间. 在回顾和展望EPR谱仪研制、EPR应用研究和高水平人才培养及储备的自由讨论中，老一辈科学家卢景雰教授（北京大学医学部）介绍了我国的谱仪研制历史（上世纪60、70年代的红红火火、80、90年代的低潮和停顿、 本世纪的希望重燃）、对人才培养平台（比如课程设置、研究生联合培养等）的建议、对本次研讨会的肯定并对将来寄予厚望. 她还介绍了上世纪60年代前后的相关学术研讨会和老一辈科学家的一些情况，并指出本次研讨会是改革开放30多年以来的第一次EPR专门的学术研讨会. 

由于电子顺磁共振波谱学在多个不同学科中的应用越来越广泛，本次研讨会为各学科领域专家学者提供了一个广泛而深入的学术交流平台. 与会代表讨论提议，这种研讨会今后将形成周期性会议，会议初步确定，下次研讨会将于2年后举行. 经与会部分代表提议并经会议商讨，下次会议期间，将增设EPR理论、谱图解析等专门讲座. 
    经《波谱学杂志》常务副主编毛诗珍老师倡议，在2011年第4期《波谱学杂志》出版EPR专刊. 
    本次研讨会得到了中国科学技术大学、合肥微尺度物质科学国家实验室和近代物理系的大力支持.

    中国物理学会波谱学专业委员会决定于2012年10月23日~10月28日在福建省厦门市召开第十七届全国波谱学学术年会，会议由厦门大学承办.    会议将交流波谱学领域最新学术思想与发展动态. 会议拟邀请国内外知名学者、波谱学家作特邀专题报告．波谱学专业委员会热烈欢迎与波谱学有关的同行踊跃参加．
    会议期间将评选第十届王天眷波谱学奖（该奖已被科技部批准为社会力量设奖奖项），王天眷波谱学奖条例见网站http:∥www.wipm.ac.cn/bpxzywyh/wtjbpxj/，欢迎青年科学家申报. 会议期间还将评选优秀墙报．
    有关征文的具体通知如下： 
    征文内容：核磁共振、电子顺磁共振、磁共振成像、核四极矩共振以及与磁共振相关的其它领域的理论、方法、技术及其在物理学、化学、生物学和医学等方面应用的未公开发表过的研究工作．
    征文格式要求：提交中英文双语摘要，中英文各一页，页面设置为A4大小（21 cm×29.7 cm），页边距均设为上下2.54 cm/左右3.17 cm，中 英文摘要共享图表和参考文献，图表的标题用中英文并写. 来稿应清晰准确，文责自负．中英文论文标题下均应列出作者姓名、单位、通讯地址及邮政编码，并附上通讯联系人的联系电话及E-mail 地址. 【具体可参见中国物理学会波谱学专业委员会网址http:∥www.wipm.cas.cn/bpxzywyh/ （“十七届波谱年会最新动态”一栏）中“摘要范文
    投稿方式：电子邮件附件投稿．投稿信箱为：maosz@wipm.ac.cn，并请在邮件标题栏中注明波谱学年会征文字样．来稿录用与否一律不退稿，请自留底稿.
    截稿日期：2012年6月10日
    联系人：毛诗珍
    通讯地址： 武汉市武昌小洪山西区30号中科院武汉物理与数学研究所（武汉市71010信箱）
    邮编：430071
    电话： 027-87197126，027-87198842    传真：027-87199291
    E-mail: maosz@wipm.ac.cn



中国物理学会波谱学专业委员会
2011年12月5日