化工专业外文翻译--数据有效性的评价和乙酰柠檬酸三丁酯的检测方案（适用于毕业论文外文.doc

1、毕业设计(论文)外文资料翻译学 院： 化学工程学院 专业班级： 化学工程与工艺 化工051 学生姓名： 学 号： 指导教师： 外文出处：Journal of Engineering,2007,78(3):870877附 件：1.外文资料翻译译文； 2.外文原文 指导教师评语：直译与意译结合，翻译语句较通顺，符合原文意境；少量专业词汇翻译不够准确。翻译成绩: 良签名： 年 月 日数据有效性的评价和乙酰柠檬酸三丁酯的检测方案在可能的情况下，物理/化学性质的测定程序化学品特性软件3.10版本惯于估算。定量结构活性相关的估测是以结构为基础的，因此，它只适用于一些结构可被定义的物质。因为乙酰柠檬酸三丁酯

2、（ATBC）有一个确定的结构，所以产生了一整套完整的模型数据。一般情况下，化学品特性软件的估测必须用大量的专业判断来解释说明；但是，在大多数情况下，乙酰柠檬酸三丁酯的物理/化学性质的模型估测数据可以与现有的可靠的标准数据比较。物理/化学性质的现有数据总结如下。在760毫米Hg下，熔点和沸点的测量数据分别为59和326。EPIWIN MPBPWIN模型预测值（美国环保局，2000年）可分别与预测熔点94.35、沸点410.75得到的实测数据比较。化学品特性软件模型还提供了一个与熔点80匹配的实验数据库，用来确证熔点的实测值和预测值。蒸气压是以20下，0.052毫米Hg来衡量的，而EPIWIN M

3、PBPWIN（美国环保局，2000年）模型预测值为25下0.000485毫米Hg。在22下，用高性能液体色谱法测定的辛醇/水分配系数（log Kow）为4.92，25下，EPIWIN KOWWIN模型预测值（美国环保局，2000年）为4.29。在25下，水的溶解性的实测数据为100毫克/升，EPIWIN WSKOWWIN模型预测值为2.045毫克/升。EPIWIN WSKOWWIN模型输出量还提供了一个与5毫克/升相匹配的实验数据库，用来证实水溶解性的预测值。环境灾难和生态毒性的定量结构活性相关的估测以及可靠的相关数据附录中含有可靠研究的健全摘要，QSAR关于环境灾难的估测，乙酰柠檬酸三丁酯的

4、影响。大气的光降解作用的模型依据环保局的方针运行。EPIWIN AOPWIN（美国环保局，2000年）的建模表明乙酰柠檬酸三丁酯暴露在周围的光线下会迅速地降解。乙酰柠檬酸三丁酯的水稳度可以用EPIWIN HYDROWIN模型（美国环保局，2000年）来确定，并且和pH值有关。在25、pH=7时，Kb t1/2=3.816天；在25、pH=8时，Kb t1/2=139.394天。这得出一个结论：乙酰柠檬酸三丁酯在水环境下比较稳定。环境输送和分配的建模预测乙酰柠檬酸三丁酯通过空气排放进入大气环境，而很少分配到水，土壤或沉积物中。关于生物降解，标准数据来自于基于多种多样媒介进行的一些研究。测试类型和

5、结果归纳如下表。表2：生物降解研究的综述测试类型和触媒时间接种物降解作用结论标准生物需氧量测试21天不适合污水环境、消过毒的生物体在严格的测试条件下降解效率低100（生物需氧量/化学需氧量）：第5天为14% 第21天为26%污水沉淀池降解5小时适应污水池的沉渣生物降解迅速在5小时内生物降解90%用固定的微量二氧化碳测定仪系统检测土壤中的需氧的生物降解42天土壤中的生物体易生物降解在含有0.8，1.6，3.2，6.0和12.0 mg C/g土壤的检测容器中造矿元素达到166.8，124.4，97.2，97.4，并且42天后72.9%作为二氧化碳的同位素土壤中需氧的生物降解52天工业混合物催化易生

6、物降解经过52天，造矿元素分别达到128，125，90和83%的二氧化碳同位素，并有40，80，160和300毫克碳化在易供氧的混合物中的元素生物降解45天工业生物需氧量催化接种体生物降解作用最大在45天内造矿元素有37%转化为二氧化碳的同位素在固定混合物微量二氧化碳测定仪系统中用呼吸运动计量法测试2844天混合物微生物易生物降解在10.8 毫克-C/克的干燥土壤中，三周内转变成二氧化碳，超过60%为二氧化碳同位素；在1.9 毫克-C/克的干燥土壤中，转变成二氧化碳，后阶段的四天内超过60%为二氧化碳同位素EPIWIN BIOWIN模型（美国环保局，2000年）不适用不适用快；易降解t1/2（

7、水）=8.67天t1/2（土壤）=8.67天t1/2（沉积物）=34.67天和人类健康相关的可靠数据附录中有健全的关于ATBC对人类健康相关的可靠研究的摘要。ATBC对大鼠、猫的急性口服毒性数据分别为致死剂量30毫升/千克和50毫升/千克。虽然急性皮肤数据不详，但是ATBC被预测不太可能通过接触皮肤这条通道，因为它具有非常高的口服致死剂量，并且它不太可能通过皮肤被有效吸收。急性吸入毒性数据不详，但是ATBC被预测不太可能通过暴露的吸入这条通道，因为它具有低蒸汽压和极其高的致死剂量。在为期14天到2年的大量研究中，ATBC被用作大鼠、猫、小鼠的重复剂量毒性的研究，。使用高剂量的ATBC的方法有通

8、过饮食，口服灌胃或腹腔注射。ATBC表明通过口服的的方法对大鼠和猫拥有低水平的亚慢性毒性的影响。高剂量的ATBC会产生一些小的变化被认为是适应新陈代谢或偶然的反映而不是中毒效果。在对大鼠为期两年的口服毒性研究中，结果表明ATBC拥有低水平的慢性毒性的潜力。经过两年的日常接触高水平的ATBC，提出了无治疗相关毒副作用。在这些研究中没有报道器官特异性毒性，在所有情况下，在一般毒性与高剂量食物疗法结合的基础上未观察到损害作用水平（NOAEL）大于或等于100毫克/千克体重/天。重复剂量毒性研究的大量的测试结果在下表有所总结，结论支持ATBC造成全身中毒的可能性低。表3：重复剂量毒性研究摘要种类；性别

9、方法治疗组的数目/每组动物的数目持续时间未观察到损害作用水平（毫克/千克体重/天）大鼠；雄性和雌性口服（喂养）2/46周5%大鼠；雄性和雌性口服（喂养）2/48周10%猫；不确定口服（强饲法）1/2两个月5250小鼠；不确定静脉注射1/514天900大鼠；雄性和雌性口服（喂养）3/1014天1000大鼠；雄性和雌性口服（喂养）3/4090天300大鼠；不确定口服（喂养）3/20两年100大鼠；雄性和雌性口服（喂养）3/50子宫内接触阶段90天雄性=100 雌性=300六个阴极板的现有电池在体内遗传毒性的实验足以证明ATBC不能造成与人类有关的遗传毒性。此外，ATBC在体外/体内通用数据系统研究

10、中是消极的，进一步表明ATBC体外遗传毒性潜能。体内和体外测试结果总结在下表中，支持ATBC既不是诱导有机突变的物质也不是遗传毒物的结论。表4：ATBC的体内和体外诱变/遗传毒性研究测试系统浓度物质的检测对象结果艾姆斯氏实验（预诱导法）鼠伤寒沙门氏菌菌株TA98，TA100，TA1535，TA153750至5000微克/板a，b阴性艾姆斯氏实验鼠伤寒沙门氏菌菌株TA98，TA100，TA1535，TA1537，TA1538333至10000微克/板a，b阴性艾姆斯氏实验鼠伤寒沙门氏菌菌株TA98，TA100，TA1535，TA1537，TA15389至495微克/板b阴性体外染色体异常实验大鼠

11、淋巴细胞4至400微克/毫升a，b阴性体内和体外不定期合成DNA雄鼠肝细胞的原代培养单次口服剂量800或2000毫克/千克阴性正向突变实验L5178Y（TK+/TK-）小鼠淋巴细胞A200至480微克/毫升b10至230微克/毫升a，b阴性正向突变实验CHO/HGPRT基因突变25至400微克/毫升a，b阴性通过两代繁殖研究和为期13周的子宫内接触阶段的毒性研究，ATBC对繁殖的影响潜能是满意的。在两代繁殖研究中，不管是第一代还是第二代的双亲动物的整个研究过程中，无治疗相关的临床观察都被记录了下来。第一代双亲的体重和第二代雌性的体重基本上不受ATBC治疗的影响；但是，300至1000毫克/千克

12、体重/天的第二代雄性的体重一向比控制值较低，似乎与治疗相关。1000毫克/千克体重/天的第一代雌性的体重在怀孕末期（怀孕21或22天）明显低于控制值。ATBC以1000毫克/千克体重/天的水平喂养第一代和第二代双亲动物所消耗的水量在整个研究中一贯低于并发控制的值。第一代和第二代的后代的交配、怀孕和生育并没有受到影响。目前还没有在尸检中发现与治疗相关的异常情况。剂量从300到1000毫克/千克体重/天这些组的小狗的体重比那些控制的略低，死亡率略高。这些影响被认为是在这些剂量的水平上减少水的摄入量的结果，而不是受到ATBC的直接影响。没有观察到其他的治疗相关影响到评价的参数。在适当剂量和高剂量组，

13、在轻微体重的影响的基础上，父母和后代的未观察到损害作用水平（NOAELS）都是100毫克/千克体重/天。在为期13周的子宫内接触阶段的毒性研究中，检查了敏感的生殖与发育断点。用大鼠和小鼠进行了12个月的研究，评价了双亲动物的生育、ATBC的发育毒性潜能。这组的大鼠和小鼠被喂以剂量50和250毫克/千克体重/天的含有测试物质（ATBC）的牛奶，为期12个月。第三组作为控制组。在研究的第九个月，动物开始交配，雄性生殖腺和胚胎的影响得到了评估。用跟踪指示剂评估了胚胎的影响：早期和晚期胚胎死亡（通过检测妊娠激素和皮下注射点的数目来确定）；正常组织和吸收变形组织的数目。测量新生儿的长度作为胎盘的尺寸和重

14、量，后代的生理发育通过以下参数得到了评估：耳道，眼缝，体毛外观和牙齿，行为举止和体重。这两个物种没有受到剂量为50毫克/千克体重.天的治疗的影响。ATBC对大鼠或小鼠的生殖腺没有明显影响，并且250毫克/千克体重/天这组动物的精子指数与控制组的类似。这两组在生育率和每个怀孕雌性所生动物的数量方面没什么分别。生理发育（即眼缝和耳道，体毛和门牙外观），举止行为和后代的体重也没有受到治疗的影响。发育毒性无害作用剂量在这两项研究中是250毫克/千克体重/天。还就发育毒性，在剂量高达1000毫克/千克体重/天的两代繁殖的研究和为期13周的子宫内接触阶段的毒性研究中没有观察到对发育的影响。大鼠可以迅速和广

15、泛地吸收ATBC，然后快速代谢，几乎完全排泄出去。在大鼠的尿液中可以很肯定的鉴别出代谢物（乙酰柠檬酸，柠檬酸酯，乙酰柠檬酸酯，柠檬酸二丁酯和乙酰柠檬酸二丁酯的两种异构体），证明被迅速清除出体外，毋庸置疑不是发育毒物。同时，ATBC的其他代谢物，醋酸，柠檬酸，丁酸，柠檬酸三丁酯和丁醇，不构成相关的发育毒性（见5.8生殖毒性和5.10进一步的研究）。Assessment of Data Availability and Test Plan for Acetyl Tributyl Citrate (ATBC)Where possible, the physical/chemical property

16、 estimation program EPIWIN version 3.10 was used to derive estimates. QSAR estimates are based on structure and, therefore, can be made only for substances for which a structure can be defined. Since ATBC has a defined structure, a complete set of model data was generated. In general, EPIWIN estimat

17、es must be interpreted with a great deal of professional judgment; however, the model estimates for the physical/chemical properties of ATBC are, in most cases, comparable to the available reliable measured data. The available data for physical/chemical properties are summarized below. Measured data

18、 for melting and boiling points were 59C and 326C at 760 mm Hg, respectively. The EPIWIN MPBPWIN model-predicted values (U.S. EPA, 2000b) were comparable to the measured data with predicted melting and boiling points of 94.35C and 410.75C, respectively. The EPIWIN model also provided an experimental

19、 database match for melting point of 80C, which corroborates the measured and predicted values for melting point. Vapor pressure was measured as 0.052 mm Hg at 20C, whereas the EPIWIN MPBPWIN (U.S. EPA, 2000b) model-predicted value was 0.000485 mm Hg at 25C. The octanol/water partition coefficient (

20、log Kow) was determined using HPLC to be 4.92 at 22C and the EPIWIN KOWWIN model-predicted value (U.S. EPA, 2000c) was 4.29 at 25C. Measured data and the EPIWIN WSKOWWIN model prediction (U.S. EPA, 2000d) for water solubility were 90% biodegradation in 5 hoursAerobic biodegradation in soil using a s

21、tatic biometer system 42 daysSoil organismsReadily biodegradableMineralization reached 166.8, 124.4, 97.2, 97.4 and 72.9% as ThCO2 by day 42 in test vessels containing 0.8, 1.6, 3.2, 6.0 and 12.0 mg C/g soil, respectivelyAerobic biodegradation in soil 52 daysCommercial compost seedRapidly biodegrada

22、bleMineralization by day 52 reached 128, 125, 90 and 83% ThCO2 for 40, 80, 160 and 300 mg C-treatments, respectivelyUltimate biodegradation in actively aerated compost 45 daysCommercial BOD seed inoculumUltimately biodegradableMineralization reached 37% ThCO2 in 45 daysRespirometry test in static co

23、mpost biometer system 28 - 44 daysCompost microorganismsReadily biodegradableAt 10.8 mg-C/g dry soil, conversion to CO2 exceeded 60% ThCO2 in three weeks; at 1.9 mg-C/g dry soil, conversion to CO2 exceeded 60% ThCO2 within four days following the lag periodEPIWIN BIOWIN model (U.S. EPA, 2000g) Not a

24、pplicableNot applicableFast; readily degradablet (water) = 8.67dayst (soil) = 8.67 dayst (sediment) = 34.67 daysHuman Health-Related Reliable Data Robust Summaries for the reliable human health-related studies with ATBC are presented in the Appendix. Acute oral toxicity data are available for ATBC i

25、n rats and cats with LD50 values 30 and 50 ml/kg, respectively. Although acute dermal toxicity data are not available, ATBC is predicted to present a very low potential for toxicity via the dermal route of exposure because of its extremely high oral LD50 and because it is unlikely to be absorbed eff

26、iciently through the skin. Acute inhalation toxicity data are not available, but ATBC is predicted to present a very low potential for toxicity via the inhalation route exposure because of its low vapor pressure and extremely high oral LD50. ATBC was studied for repeated dose toxicity in rats, cats

27、and mice in numerous studies ranging in duration from 14 days to 2 years. High doses of ATBC were administered via the dietary, oral gavage or intraperitoneal injection routes of exposure. ATBC was shown to possess a low level of subchronic toxicity in rats and cats via the oral route of exposure. A

28、t very high doses, the few minor changes seen were considered to be a reflection of metabolic adaptation or incidental rather than toxic effects. In two-year oral toxicity studies in rats, ATBC was shown to possess a low level of chronic toxicity potential. No treatment-related toxic effects were re

29、ported after two years of daily exposure to high levels of ATBC. Organ specific toxicity was not reported in any of these studies and in all cases the NOAELs are greater than or equal to 100 mg/kg bw/day based on general toxicity associated with high dose exposure regimens. The numerous testing resu

30、lts for repeated dose toxicity studies summarized in the following table support the conclusion that ATBC has a low potential to cause systemic toxicity.Table 3: Summary of Repeated Dose Toxicity StudiesSpecies; SexRouteNo. of Treatment Groups / No. of Animals per GroupDurationNOAEL (mg/kg bw/day)Ra

31、t; M & FOral (feed)2 / 46 weeks5%Rat; M & FOral (feed)2 / 48 weeks10%Cat; NSOral (gavage)1 / 22 months5250 aMouse; NSI.P. injection1 / 514 days900Rat; M & FOral (feed)3 / 1014 days1000Rat; M & FOral (feed)3 / 4090 days300Rat; NSOral (feed)3 / 202 years100Rat; M & FOral (feed)3 / 50Inutero exposure p

32、hase + 90 daysM = 100 F = 300The available battery of six negative in vitro genotoxicity assays is adequate to conclude that ATBC does not pose a genotoxicity concern for humans. In addition, ATBC was shown to be negative in an in vivo/in vitro UDS study, which further indicates an absence of in viv

33、o genotoxic potential for ATBC. The in vitro and in vivo testing results summarized in the following table support the conclusion that ATBC is neither mutagenic nor genotoxic. Table 4: In vitroand In vivo Mutagenicity/Genotoxicity Studies for ATBC Test SystemConcentrationTest Object of SubstanceResu

34、ltsAmes assay(preincubation method)S. typhimurium TA98, TA100, TA1535, TA153750 to 5000 g/plateNegativea,bAmes assayS. typhimurium TA98, TA100, TA1535, TA1537, TA1538333 to 10,000 g/plateNegativea,bAmes assayS. typhimurium TA98, TA100, TA1535, TA1537, TA15389 to 495 g/plateNegativebIn vitro chromoso

35、mal aberration assayRat lymphocyte cells4 to 400 g/mlNegativea,bIn vivo/in vitro unscheduled DNA synthesisMale rat primary cultures of hepatocytesSingle oral doses of 800 or 2000 mg/kgNegativeForward mutation assayL5178Y (TK+/TK-) mouse lymphoma cells200 to 480 g/mla 10 to 230 g/mlbNegativea,bForwar

36、d mutation assayCHO/HGPRT25 to 400 g/mlNegativea,bEvaluation of potential for reproductive effects is satisfied for ATBC by a two-generation reproduction study and a 13-week toxicity study with an in utero exposure phase. In a two-generation reproduction study, no treatment-related clinical observat

37、ions were noted throughout the study in either F0 or F1 parental animals. Body weights of F0 parents and F1 females were largely unaffected by treatment with ATBC; however, body weights of the F1 parental males in the 300 and 1000 mg/kg bw/day groups were consistently lower that controls and appeare

38、d to be related to treatment. Body weights of the F0 females in the 1000 mg/kg bw/day group at the end of pregnancy (gestation days 21 or 22) were significantly lower than control values. Water consumption of the F0 and F1 parental animals fed ATBC at a level of 1000 mg/kg bw/day were consistently l

39、ower than concurrent controls throughout the study. Mating, gestation and fertility of the F0 and F1 generations were unaffected by treatment. There were no abnormalities seen at necropsy that were considered to be treatment-related. The body weights of the pups from the 300 and 1000 mg/kg bw/day do

40、se groups were slightly lower than those of the controls, and slightly higher mortality also was observed in these groups. These effects were considered to be a consequence of the reduced water intakes in the dams at these dose levels rather than a direct effect of ATBC. No other treatment-related effects were observed in the parameters evaluated. Parental and offspring NOAELs both were 100 mg/kg bw/day based on slight body weight effects in the mid-and high-dose groups. In a 13-week toxicity study with an in utero exposure phase, sensitive repr