First-principles theory for the H + H2O, D2O reactions

A full quantum dynamical study of the reactions of a hydrogen atom with water, on an accurate ab initio potential energy surface, is reported. The theoretical results are compared with available experimental data for the exchange and abstraction reactions in H + D2O and H + H2O. Clear agreement between theory and experiment is revealed for available thermal rate coefficients and the effects of vibrational excitation of the reactants. The excellent agreement between experiment and theory on integral cross sections for the exchange reaction is unprecedented beyond atom-diatom reactions. However, the experimental cross sections for abstraction are larger than the theoretical values by more than a factor of 10. Further experiments are required to resolve this.     

紫色土可溶性有机碳的吸附-解吸特征

选择代表性的酸性、中性和石灰性紫色土为实验材料,采用平衡吸附和动力学吸附法研究了紫色土对可溶性有机碳(DOC)的吸附-解吸特征,分析了土壤理化性质与DOC吸附量之间的关系.结果表明,紫色土对DOC的吸附容量呈以下顺序:酸性紫色土＞中性紫色土＞石灰性紫色土.石灰性紫色土对DOC的解吸率明显高于酸性、中性紫色土,其迁移淋失问题值得重视.紫色土对DOC的吸附过程包括快速吸附和慢速吸附2个阶段,0～0.5 h内吸附速率最大,随后吸附速率逐渐减小,4～6 h内基本达到吸附平衡.土壤pH值、有机质、粘粒和活性铁铝氧化物含量是影响土壤DOC吸附量与解吸率的重要因素.通径分析表明,土壤理化性质对DOC吸附量的直接作用系数大小顺序为活性铝含量＞土壤pH值＞有机质,对DOC解吸率的直接作用系数大小顺序为活性铁含量＞粘粒＞有机质.多元线性回归模型能较好地预测土壤对DOC的吸附及解吸的变化.     

升温环境下肉鸡体温和呼吸频率对热中性区上限温度估测

目的 通过非线性分段回归模型,分析随环境温度逐渐升高,肉鸡体表、体核温度和呼吸频率开始升高时的环境温度,即拐点温度（IPT）,估测肉鸡热中性区、热舒适区的上限温度。方法 试验选择21日龄AA肉鸡10只,饲养于人工环境控制舱内。舱内温度由18℃开始,每0.5 h升高1℃,至33℃维持0.5 h后,逐渐降至20℃,循环3 d。利用微型温度记录仪连续监测肉鸡体表和体核温度（每10min记录1次）。结果 经非线性分段回归分析,3次（天）估测出的肉鸡体表温度的拐点温度（IPT_ST）分别为21.18、21.09、21.13℃,平均21.13℃。肉鸡IPT_ST个体之间的变异较大,3次测定的变异系数分别为6.31、6.15、5.64;而同一只肉鸡3次估测的IPT_ST差别较小,10只鸡的变异系数平均为0.52,表明这种估测IPT_ST的方法重复性较好。肉鸡体核温度的拐点温度（IPT_CT）3次测定的结果分别为27.80、27.98、27.67℃,平均27.82℃。个体之间IPT_CT的变异系数为2.82、2.75、2.78,而同只肉鸡3次估测的IPT_CT变异较小,平均变异系数为0.90,表明这种估测IPT_CT的方法重复性较好。肉鸡呼吸频率的拐点温度（IPT_RR）3次测定的结果分别为28.42、29.52、29.25℃,平均29.06℃。由于肉鸡在高温环境下喘息并非持续发生,本试验呼吸频率的测定时间过短（每个温度下每只鸡测定了1 min）,造成部分肉鸡测定的呼吸频率过低,导致估测的IPT_RR偏高。结论 根据热中性区的定义,3—4周龄肉鸡热舒适区上限温度即为IPT_ST（21.13℃）,而热中性区上限温度应低于IPT_CT（27.82℃）。     

气温对杂交水稻Ⅱ优718结实率的影响分析

本文采用5个品种,6个播期的裂区试验设计,研究在自然高温和低温胁迫下Ⅱ优718的结实率表现。结果表明:①结实率的大小依次是:辐恢838>Ⅱ优838>辐恢718>Ⅱ优718>Ⅱ-32B;②结实率与产量的回归系数大小依次是:Ⅱ优718>辐恢838>Ⅱ优838>辐恢718>Ⅱ-32B;③抽穗前15 d的活动积温和有效积温对结实率的影响较小,而抽穗后的活动积温和有效积温对结实率的影响较大;④Ⅱ优718、Ⅱ优838在抽穗后都具有一定的耐高温性,且Ⅱ优718、Ⅱ优838的耐高温性主要来自于其父本;⑤辐恢718的耐高温性能比辐恢838好,Ⅱ优718、Ⅱ优838比3个亲本的耐高温性能都好;⑥各品种的耐低温性依次是:Ⅱ优838>辐恢838>Ⅱ优718>辐恢718>Ⅱ32B,且Ⅱ优718与Ⅱ优838两个品种的耐低温能力在同一水平上;⑦Ⅱ优718与Ⅱ优838的结实率受父本的影响均大于母本。     

Diffusion kinetics of samarium and neodymium in garnet, and a method for determining cooling rates of rocks

Experimental determinations of the diffusion coefficients of samarium and neodymium in almandine garnet and theoretical considerations show that one cannot assign a sufficiently restricted range of closure temperature, TC, to the samarium-neodymium decay system in garnet for the purpose of constraining the cooling rate. However, it is shown that the samarium-neodymium cooling age of garnet can be used to calculate both cooling rate and TC if the temperature and age at the peak metamorphic conditions are known.     

Chemical reactions of anions in the gas phase

Anions of many types, both organic and inorganic, farmiliar and exotic, can be generated in the gas phase by rational chemical synthesis in a flowing afterglow apparatus. Once formed, the rates, products, and mechanisms of their reactions with neutral species of all kinds can be studied, not only at room temperature but at higher energies in a drift field. These completely unsolvated ions undergo a large number of reactions that are analogous to those they undergo in solution, as well as some that are less familiar. New types of ions, for which there are no counterparts in solution, can be produced and their chemical reactions explored.     

污泥热解特性影响因素的研究

[目的]研究污泥的热解特性及其影响因素。[方法]采用热分析的方法研究升温速率、试验终温、污泥组分、颗粒粒径和氮气吹扫量等因素对污泥热解特性的影响。[结果]污泥热解可以划分为3个阶段:第一阶段是水分析出阶段(50～150℃);第二阶段是污泥失重的主要阶段(150～530℃),热解失重是由于有机物的分解引起;第三阶段(530～800℃)失重是由于无机物和残余有机物引起。污泥热解在第二阶段是放热过程。升温速率对污泥热解特性的影响主要表现在起始温度方面,而对峰温和失重率的影响较小;试验终温的影响则主要表现在污泥的失重率上,试验终温越高,污泥的失重率越高,而对热解起始温度的影响则可以忽略;污泥组分不同,表现出的起始温度、峰温和失重率等反映污泥热解特性的主要参数不同;污泥的粒径不同,反映热解特性的主要参数起始温度、终止温度、峰温和失重率等都存在明显的差异;氮气吹扫量对污泥热解参数基本没有影响,但随着氮气吹扫量的增加,污泥的失重率增加。[结论]该研究可为污泥的热处理方法研究提供理论依据。     

环境温度对长毛兔的影响

本文以大量实测的数据来阐明环境温度对长毛兔的生理和生产的影响。在生理方面说明了环境温度对长毛兔体温调节的影响和一系列连锁反应。包括外周血液循环、呼吸、气体代谢、水分代谢、采食量和消化机能等的反应。在生产方面说明了环境温度影响长毛兔的成长性能、性机能、泌乳机能、产毛量和质量等的变化。此外,本文还说明了气象因素的综合作用和影响,以及环境温度的控制要点。     

不同氧化体系去除污染土壤中多环芳烃的对比研究

采用类Fenton(芬顿)、高锰酸钾、过硫酸钠3种氧化体系去除污染土壤中的多环芳烃(PAHs),在最优实验因素配比条件下,其对污染土壤中PAHs的最高去除率分别为96.5%、94.0%和95.6%。在此基础上,进一步开展放大反应,改变水土质量比为0.6∶1,反应温度为25 ℃,3种氧化体系对PAHs的最高去除率分别为63.2%、72.1%和70.8%。以化学计量的氧化剂需求指数(SOD)评价3种氧化体系对PAHs的氧化效率,结果表明,高锰酸钾体系的氧化效率最高。由经济核算可知,高锰酸钾体系在实验条件下对PAHs污染土壤的修复成本最低。     

杂交水稻品质性状间及品质性状与农艺性状间相关性研究

采用5个不育系(湛A、双青A、万金A、22A、珍汕97A)、5个恢复系(R128,R122,R46-1,R15,直龙)按5×5NCII遗传设计杂交配制25个杂交组合。在2005年晚季对杂种F1的农艺性状及品质性状进行相关性分析。结果表明:①糙米率、精米率、整精米率与其他品质性状间的相关系数均未达到显著水平;整精米长宽比与整精米长呈极显著正相关,与整精米宽呈极显著负相关;垩白粒率与整精米长、整精米长宽比、垩白面积间呈极显著负相关,但与整精米宽及垩白度间呈极显著正相关;蒸煮品质与其他品质性状间的相关性不是很密切,但直链淀粉与糊化温度呈极显著负相关,与蛋白质含量呈极显著正相关。②株高、有效穗数与各品质性状间的相关性不是很强,除株高与整精米率达到极显著外其他性状间均未达到显著水平;穗长与整精米宽、垩白粒率间均呈极显著、显著负相关,但与整精米长宽比呈显著正相关;粒长与垩白粒率间、粒宽与垩白面积间、粒长宽比与垩白粒率间均呈极显著负相关,而粒宽与垩白粒率则呈极显著正相关。     

Elimination of current dissipation in high transition temperature superconductors

The relaxation of the shielding current-induced magnetic moment in YBa(2)Cu(3)O(7) thin films, which were grown in situ, is studied as a function of temperature. Although typical relaxations cause a large amount of decay in the magnetic shielding current (on the order of 10 to 20 percent for the first 1000 seconds), it is shown that this is not necessarily a serious problem for applications such as magnets operating in persistent-current modes. This is because the decay of the magnetic shielding current depends sensitively on how far away the operating current density is from the critical current density J(c). By using a quenching process the shielding current is reduced slightly below J(c) and the relaxation is dramatically reduced. A general relation between the relaxation rate at J(c) and the reduction of the relaxation rate upon lowering of the operating current is obtained and is shown to be consistent with experimental data.     

有效积温与不同供氮水平夏玉米干物质和氮素积累定量化研究

【目的】探究基于有效积温的不同供氮水平夏玉米干物质和氮素积累动态预测模型及其特征参数,以期为利用有效积温预测夏玉米干物质和氮素积累提供理论依据。【方法】在河北廊坊进行两年大田试验（2019—2020年）,以郑单958为试验材料,利用归一化法,通过模型筛选拟合不同供氮水平夏玉米干物质和氮素积累基于播种后有效积温的归一化Gompertz模型,并利用增长速率曲线及其特征参数定量分析夏玉米干物质和氮素积累特征。【结果】（1）在本试验条件下,当磷钾肥适量时,随施氮量的增加夏玉米最大干物质和氮素积累量持续增加。（2）以有效积温为自变量建立的夏玉米干物质和氮素积累量的归一化Gompertz模型具有较好的生物学意义,方程的决定系数分别为0.9962—0.9988和0.9887—0.9922。利用第2年数据进行模型验证,模拟值和实测值的相关系数分别0.9933—0.9959和0.9830—0.9923,标准化的均方根误差分别为6.64%—16.86%和7.31%—12.68%,预测效果达到良好水平。（3）不同供氮水平夏玉米干物质和氮素积累的增长速率均表现为“单峰曲线”,其变化与供氮水平关系密切,在处理间表现为：适量施肥条件下,增长速率曲线呈现上升快下降也快的特点,减肥处理增长速率曲线呈现上升慢下降也慢的特点。（4）夏玉米播种后干物质和氮素积累快增期有效积温范围分别为709.35—1 722.54 ℃·d和482.50—1 507.61 ℃·d,氮素积累达最大速率所需有效积温为995.05 ℃·d,小于干物质积累达最大速率对积温的需求（1 215.94 ℃·d）。供氮水平明显影响夏玉米干物质和氮素积累进入快增期、缓增期、达到最大增长速率所需积温,同时还影响最大增长速率和快增期平均增长速率;与不施氮肥处理相比,适量氮肥处理夏玉米进入各关键期所需有效积温明显减少,关键期增长速率明显增加。【结论】归一化Gompertz模型不仅能够很好地模拟和预测不同供氮水平夏玉米干物质和氮素积累随有效积温的动态变化,还明确了有效积温与干物质和氮素积累的定量化关系。基于有效积温的Gompertz模型可以用来预测作物长势和最佳施肥时期,具有较强的应用价值。     

Costs and benefits of high mutation rates: adaptive evolution of bacteria in the mouse gut

We have shown that bacterial mutation rates change during the experimental colonization of the mouse gut. A high mutation rate was initially beneficial because it allowed faster adaptation, but this benefit disappeared once adaptation was achieved. Mutator bacteria accumulated mutations that, although neutral in the mouse gut, are often deleterious in secondary environments. Consistently, the competitiveness of mutator bacteria is reduced during transmission to and re-colonization of similar hosts. The short-term advantages and long-term disadvantages of mutator bacteria could account for their frequency in nature.     

Studies of unusual simple molecules by neutralization-reionization mass spectrometry

Reactive or unstable molecules are key intermediates in many important reactions, but can be difficult to prepare for experimental studies. Species with missing (:CH-OH) or extra (H3) substituents can often be formed conveniently in the gas phase by neutralizing a beam of a more stable ionic counterpart (CH = O+H, H3+). Reionization of the neutral after approximately 10(-6) seconds tests its stability, whereas its unimolecular chemistry can be probed by preparing it with different amounts of internal energy. The resulting neutral products are reionized and mass analyzed. Isomers are then characterized by ion dissociation and a third mass-analysis step. Many unusual molecules have been characterized with this technique, which can also be used to probe complex unimolecular chemistry, such as that of cyclobutadiene and ethylene oxide.     

A low-temperature thermal process for the decomposition of water

The following three reactions, each of which has been shown to proceed at the temperature indicated above the arrow, are suggested as a cycle for the thermal decomposition of water:     

松散回潮回风温度对烟叶化学成分与中性致香物质的影响

为提高卷烟内在质量,提高烟叶的利用价值,利用松散回潮工序不同回风温度的试验,对烟叶常规化学成分与中性致香物质的含量进行了研究分析。结果表明:1对常规化学成分,回风温度52℃时的两糖差偏高,钾氯比和糖碱比偏低;回风温度62℃时的氯含量偏高,钾氯比和氮碱比偏低;回风温度57℃时的化学成分更符合优质烟叶的要求;2对中性致香成分,其总量表现为:57℃62℃52℃,一定范围内,香气量越大越有利于表现香气特征。不同回风温度对常规化学成分与中性致香物质的影响具有一致性。     

超声波对双酶水解玉米蛋白的影响

试验对超声场下双酶水解玉米蛋白的酶解反应条件进行了研究,并与恒温水浴条件下玉米蛋白的水解度进行了对照。单因素试验及正交试验结果表明,中性蛋白酶与木瓜蛋白酶按一定比例复合水解的水解度比单独采用其中的一种有所提高:超声功率为1 000 W,超声时间与间歇时间比为2 s∶30 s,底物浓度3%,总酶浓度(中性蛋白酶与木瓜蛋白酶的酶浓度比为2∶1)5%,pH 7.5的条件下,玉米蛋白的水解度可达58.73%。     

Alkaloids from catecholamines in adrenal tissue: possible role in alcoholism

Epinephrine and norepinephrine condensed with acetaldehyde or with formaldehyde in dilute aqueous solution at neutral pH and room temperature to form 1,2,3,4-tetrahydroiso-quinoline alkaloids. Similar condensation reactions occurred in cow adrenal glands perfused with dilute aldehyde solutions at 37 degrees C. Biosynthesis of these alkaloids in vivo could play a role in altering an individual's behavior during and after the ingestion of alcohol.     

香蕉枯萎病菌4号生理小种中性海藻糖酶NTH1基因敲除和功能分析

为了研究中性海藻糖酶在香蕉枯萎病菌4号生理小种（Foc4-37）致病和耐受不良环境中的作用,笔者构建了中性海藻糖酶编码基因敲除突变体Δnth1,并对敲除突变体的致病力、生物学特性和对氰烯菌酯的抗药性开展测定分析。结果表明:与野生型相比,Δnth1菌落生长缓慢、孢子萌发率下降,对巴西蕉苗致病力明显减弱,但产孢量没有显著差异,对氰烯菌酯的敏感性（EC₅₀=6.07 mg·L?1）也无明显变化。由此推断NTH1基因参与调控香蕉枯萎病菌的分生孢子萌发和生长,参与细胞壁合成和氧化应激反应的应答,不参与FOC对渗透压力、高糖和高低温胁迫的应答。     

温度诱导对吉富罗非鱼雄性率的影响

[目的]研究温度诱导对吉富罗非鱼鱼苗雄性率的影响,为大规模通过温度诱导生产高雄性率吉富罗非鱼鱼苗奠定基础。[方法]以吉富罗非鱼(genetically improved farmed tilapia)家系鱼苗为研究材料,探讨不同温度、不同发育时期和处理时间对鱼苗雄性率的影响。[结果]不同温度持续诱导卵黄囊发育第5天的鱼苗10 d后,CK和试验组之间雄性率差异极显著(P<0.01),各组的雄性率呈一个抛物线状,以36.0℃诱导的雄性率最高,达到89.5%;卵黄囊发育第0天、第5天和第10天鱼苗经36.0℃持续诱导10 d,3组间的雄性率差异显著(P<0.05),以第0天组诱导效果最佳,雄性率达到96.1%;对卵黄囊发育第5天鱼苗36.0℃进行不同时间诱导结果显示,7d的雄性率最低为79.4%,超过10 d的雄性率均达到91%,7 d组与其他试验组间差异显著。[结论]高温诱导能显著提高吉富罗非鱼鱼苗的雄性率,其中以第0天卵黄囊苗36.0℃持续诱导10 d以上的雄性率效果最佳。