C 2H 5N 4- C 6H 3N 3O-7氢键相互作用的理论研究

运用密度泛函理论方法,在B3LYP/6-311++G**水平上对4-氨基-1,2,4-三唑阳离子(AT)和2,4,6-三硝基苯酚阴离子(PA)形成的氢键二聚体进行理论计算研究.计算得到4种稳定结构的氢键复合物及最稳定异构体D1的振动频率、电子吸收光谱与热力学性质.结果表明,氢键复合物中存在较强的N—H…O与C—H…O红移氢键.经过基组重叠误差和零点振动能校正后,D1的氢键相互作用能为-30.71kJ/mol.热力学计算显示,在298.15K和标准状态下,D1气态氢键复合物分子的形成过程是放热、熵减小的非自发过程,但在低温下能自发进行.D1分子的标准摩尔生成焓和标准摩尔生成自由能分别为98.7,474.4kJ/mol.     

The Density of Hydrous Magmatic Liquids

Density measurements on several hydrous (相似文献   

Visualizing gas molecules interacting with supported nanoparticulate catalysts at reaction conditions

Understanding how molecules can restructure the surfaces of heterogeneous catalysts under reaction conditions requires methods that can visualize atoms in real space and time. We applied a newly developed aberration-corrected environmental transmission electron microscopy to show that adsorbed carbon monoxide (CO) molecules caused the {100} facets of a gold nanoparticle to reconstruct during CO oxidation at room temperature. The CO molecules adsorbed at the on-top sites of gold atoms in the reconstructed surface, and the energetic favorability of this reconstructed structure was confirmed by ab initio calculations and image simulations. This atomic-scale visualizing method can be applied to help elucidate reaction mechanisms in heterogeneous catalysis.     

A Fluorite Isotype of SnO2 and a New Modification of TiO2: Implications for the Earth's Lower Mantle

The existence of a cubic fluorite-type SnO(2) and a hexagonal TiO(2) (which may be related to the fluorite structure) have been demonstrated by an in situ x-ray diffraction study in which a diamond-anvil pressure cell was used after the samples had been heated by a continuous yttrium-aluminum-garnet laser. At room temperature, the lattice parameter for SnO(2) (fluorite) is a = 4.925 +/- 0.005 angstroms and those for TiO(2) (fluorite-related) are a = 9.22 +/- 0.01 angstroms and c = 5.685 +/- 0.006 angstroms at about 250 kilobars. The volume change associated with the transition from rutile to fluorite (or related structure) is about -8 percent for SnO(2) and -10.5 percent for TiO(2) at transition. Upon release of pressure, both the fluorite-type SnO(2) and the TiO(2) reverted to the alpha-PbO(2) structure at room temperature. The hypothesis that the earth's lower mantle is composed of oxide phases might be feasible if it were possible for SiO(2) to possess the fluorite structure or its related forms at high pressure, as shown for SnO(2) and TiO(2) in this study. The oxide hypothesis proposed here differs from that postulated by Birch in that the primary coordination of silicon is 6 for Birch's hypothesis and 8 for the hypothesis presented here.     

有机酸对镉在土壤矿物上吸附特征的影响

研究了有机酸对镉在土壤矿物上吸附特征的影响,结果表明:有机酸对镉在矿物上吸附的影响基本上是一致的:随着胡敏酸浓度的增加,镉的吸附量迅速增大;对低分子量有机酸(草酸、乙酸、柠檬酸等)而言,在浓度较低时,镉的吸附量随着有机酸浓度的增加而有所增大,但随着浓度的增加,镉的吸附量逐渐降低.存在胡敏酸时,高岭石、针铁矿和三羟基铝石对镉的吸附率随着pH的升高而迅速增大,而且吸附率一直高于其它条件下的吸附率,pH>5.0时,吸附率接近100%.在存在低分子量有机酸(草酸、乙酸、柠檬酸等)的情况下,在pH<5.5时,高岭石、针铁矿和三羟基铝石对镉的吸附率随着pH的升高有较大的差异,与矿物种类及有机酸类型有着密切的关系,之后随pH的升高而迅速增大.     

番茄不同分化潜力愈伤组织中内源多胺比较及外源多胺对分化的影响

比较了番茄具芽分化活性愈伤组织（ＢＤＣ）、根分化活性愈伤组织（ＲＤＣ）和不具分化活性愈伤组织（ＮＤＣ）中内源多胺含量的变化．结果表明：在培养的第６天和１２天，多胺总量均是ＢＤＣ＞ＲＤＣ＞ＮＤＣ．ＢＤＣ在肉眼可见芽分化的前３天（培养第１２天），其精胺、腐胺、尸胺含量显著升高，精胺含量分别为ＲＤＣ和ＮＤＣ的２．３倍和４．１倍；腐胺含量分别为ＲＤＣ和ＮＤＣ的２．４倍和１．５倍；尸胺含量分别为ＲＤＣ和ＮＤＣ的１．８倍和１．３倍．结合外源多胺的使用结果表明：外源尸胺和腐胺抑制芽的分化但促进根的分化，精胺对芽的分化有促进作用但对根的分化无效．提出了激素对离体培养物形态建成的调节作用可能通过改变内源多胺含量及其比例起作用．     

Magnetic resonance studies of lunar samples

Electron spin resonance searches at 9.5 gigahertz on several fines samples and portions of several rocks have yielded signals whose lineshapes and temperature dependences show that the samples are principally ferromagnetic in nature. Proton magnetic resonance searches at 60 megahertz of these samples have not revealed any signals ascribable to water or any other types of hydrogen in concentrations greater than 0.0001 percent by weight contained in narrow lines (5 oersteds wide or less) and 0.01 percent by weight in wide lines (as wide as 100 oersteds).     

高温胁迫对金钻蔓绿绒耐热性的影响

为了明确金钻蔓绿绒对高温环境的忍耐能力,以3～5个叶片的金钻蔓绿绒扦插苗为试材,以室温为对照,研究了高温（35、40和45℃）胁迫不同时间（8、16、24、32和40h）对金钻蔓绿绒叶片相对电导率和丙二醛含量的影响。结果表明：叶片相对电导率随胁迫温度的升高而逐渐降低、随胁迫时间的延长而逐渐上升,其中35℃所有胁迫处理的叶片相对电导率均显著〉其CK,胁迫温度升高后叶片相对电导率反而显著下降甚至与其CK差异不显著,说明高温胁迫导致叶片细胞膜受害程度加深,温度过高时细胞甚至解体而失去活性;丙二醛含量随胁迫温度的升高和胁迫时间的延长均持续增加,除35℃胁迫8h处理的叶片丙二醛含量显著〈其CK外,其他高温处理的丙二醛含量均显著〉其CK。植物所处的环境温度越高、时间越长,其叶片细胞受到的生理伤害就明显越重,综合分析高温胁迫对叶片相对电导率和丙二醛含量的影响,认为金钻蔓绿绒可以勉强忍耐35℃高温8h。     

建昌鸭白羽系三系配套组合的生产性能研究

本试验采用了三元杂交配套模式（即M♂×J♀→MJ♀×F♂→GMJ），以亲本M、J为对照，测定了单杂交母本MJ的繁殖性能，研究杂交鸭GMJ、GM、GJ和亲本G、M、J六个组合在放牧补饲和合饲方式下的肉用性能．结果表明：MJ40周产蛋量为203．7个，比J（147．2个）提高56．5个，MJ为全年产蛋，无季节性．舍饲7周龄，GMJ重2726．5g．比J提高全净膛重34．5％，胸肌63．9％，腿肌23．0％．杂交显著提高了建白羽系的生长速度和产肉量，改变了J胸肌薄弱的缺点．     

3个橄榄品种果实采后贮藏期间的生理变化

【目的】分析3个橄榄品种果实采后贮藏期间的生理变化,筛选出耐藏性较好的品种为选育优良橄榄品种提供参考依据。【方法】以潮汕地区3个橄榄品种(丰玉1号、深洋甜种和一点红)果实为试验材料,置于室温(15~25℃)、湿度60%~80%条件下贮藏,贮藏期间每2 d测定1次果实的呼吸强度、质膜相对透性、过氧化物酶(POD)和多酚氧化酶(PPO)活性及丙二醛(MDA)含量等生理指标,并统计果实的失重率和好果率。【结果】室温贮藏至第8 d,一点红橄榄的好果率仍保持在98%,丰玉1号橄榄仅50%;贮藏至第6 d,丰玉1号橄榄出现呼吸高峰,深洋甜种和一点红橄榄的呼吸强度呈上升趋势,但尚未出现呼吸高峰;整个贮藏期间,3个橄榄品种果实的失重率、质膜相对透性和MDA含量均呈逐渐上升趋势,POD活性则呈先上升后下降再上升的变化趋势,贮藏至第8 d,深洋甜种橄榄的失重率和POD活性最低,一点红橄榄的质膜相对透性和MDA含量最低;PPO活性由高到低为:丰玉1号>深洋甜种>一点红。【结论】3个橄榄品种中,以一点红橄榄的耐藏性最佳,深洋甜种橄榄次之,可将一点红和深洋甜种橄榄远销非产地市场,而丰玉1号橄榄适合产地自销。     

花生二氧化碳充气包装贮藏技术研究

为了延长花生的贮藏期并使二氧化碳充气包装在花生贮藏中更好地推广使用,以赣花7号为供试花生品种,研究二氧化碳充气包装花生吸附结块的条件及在加速氧化贮藏期间其品质的变化情况。结果表明:花生吸附结块与花生质量呈正相关性,与气体含量呈负相关性,在常温条件下二氧化碳气体量与花生质量的最佳配比为0.11mL/g;而且二氧化碳充气处理结块组花生的贮藏品质劣变速率缓慢,其过氧化值和酸价显著低于未结块处理组和对照组,由此可见,二氧化碳充气处理结块花生更适合贮藏。     

根霉产脂肪酶液态发酵条件及部分酶学性质研究

对根霉脂肪酶液态发酵条件进行了研究 ,结果显示 :豆饼粉和麸皮各 5g对产酶有利 ;2 8℃、15 0r/min ,添加 0 .3g蔗糖和 0 .3g硝酸钠对产酶最有利。接种量为 2ml( 1× 10 7) ,2 8℃培养时 ,可得较高的酶活力。酶的最适反应pH值为 6.5 ,温度为 3 5℃。酶的半失活温度为 47.5℃ ,在pH值 6～ 8酶活力保持在 90 %以上     

超干燥贮藏对蓝桉种子发芽及生理生化特性的影响

[目的]为蓝桉种子的常温贮藏提供理论依据。[方法]以干燥处理后含水率分别为9％、8％、7％、6％、5％、4％、3％、2％、1％并在常温条件下密封贮藏300、54．0d及未经干燥处理分别在常温和低温条件下贮藏300、540d（对照）的蓝桉种子为材料,测定不同处理种子的发芽、幼苗生长及生理生化指标。[结果]超干燥处理的蓝桉种子（含水率9％～1％）常温密封贮藏300、540d后,种子发芽率、发芽势、细胞膜透性、脱氢酶活性、α-淀粉酶活性总体高于常温对照组而接近低温对照组,部分指标甚至高于低温对照组;当种子含水率为2％时,种子的发芽能力、幼苗生长及生理生化特性最好。[结论]蓝桉种子超干燥处理后长期常温贮藏是完全可行的,且种子最佳含水率为2％．     

Asymmetric adsorption of alanine by quartz

Radioactive D- and L-alanine hydrochloride in 10(-5) molar dimethylformamide solution was adsorbed by d- and 1-quartz to the extent of 20 to 30 percent, as shown by radioactivity loss. d-Quartz preferentially adsorbs D-alanine and 1-quartz adsorbs L-alanine. The extent of asymmetric preferential adsorption is about 1.0 to 1.8 percent, at the 99.9 percent confidence level.     

大温度区间氢在活性炭上的吸附平衡分析

分析温度变化对氢在活性炭上等量吸附热的影响,从而为构建活性炭低温吸附储氢系统提供技术支持.选用比表面积为2074 m2.g-1的椰壳型SAC-02活性炭,在低温区间77.15～113.15 K,压力范围0～8 MPa;较高温区间253.15～293.15 K,压力范围0～11 MPa,用Setaram PCT Pro E＆E测试氢在活性炭上的吸附等温线,并由Ozawa对吸附相作过热液体的假设确定绝对吸附等温线.根据绝对吸附平衡数据,在不同温度区间进行等量吸附线标绘,确定等量吸附热,并由亨利定律常数确定极限吸附热.结果表明：氢在SAC-02活性炭上低温区间、较高温区间和整个温度区间内的等量吸附热平均值分别为4.80,6.44,5.62 kJ.mol-1,极限吸附热平均值分别为6.89,8.38,7.64 kJ.mol-1,必须选用活性炭吸附储氢温度区域吸附数据的等量吸附线标绘,才能确定用于分析吸附过程热效应的等量吸附热.     

Self-nonself discrimination by T cells

The alpha beta T cell receptor (TCR) recognizes antigens that are presented by major histocompatibility complex (MHC)-encoded cell surface molecules by binding to both the antigen and the MHC molecules. Discrimination of self from nonself antigens and MHC molecules is achieved by negative and positive selection of T cells in the thymus: potentially harmful T cells with receptors that bind to self antigens plus self MHC molecules are deleted before they can mount immune responses. In contrast, the maturation of useful T cells with receptors that bind foreign antigens plus self MHC molecules requires the binding of their receptor to MHC molecules on thymic epithelium in the absence of foreign antigen. The binding of the TCR to either class I or class II MHC molecules directs differentiation of the selected cells into either CD4-8+ (killer) or CD4+8- (helper) T cells, respectively.     

Effects of Carbon Dioxide on Astringency Removal in Mopanshi Persimmon

Fruits of persimmon (Diospyros kaki cv. Mopanshi) were used to investigate the effects of different concentrations of carbon dioxide (CO2) gas on removing astringency after harvest. Treatment of 95 % concentration of CO2 gas gave the best results; fruits turned non-astringent after 20 h, and kept the fruit firm for 7 d at room temperature. Fruits, treated with 85 and 90 % concentration of CO2 gas, turned non-astringent after 24 - 28 h, and the firmness-keeping stage was 5 - 6 d at room temperature. While the CO2 gas was at 80, 70 and 60%, the de-astringency period was 48, 72 and 96 h, and the corresponding firmness-keeping stage was 3, 2 and 1 d, respectively. Fruits, treated with 50 % concentration of CO2 gas,remained astringent.     

马来酸酐接枝乙烯与辛烯共聚物对木粉/聚丙烯复合材料力学性能的影响

通过引入马来酸酐接枝乙烯与辛烯共聚物(MA-POE)提高了木粉/聚丙烯(WF/PP)复合材料的韧性,并通过动弹性模量分析探讨了MA-POE对WF/PP复合材料低温力学性能的影响。研究结果表明,加入MA-POE后复合材料冲击强度在-20℃和20℃条件下比未添加MA-POE的空白样分别提高了60%和68%;在常温下弯曲强度从41.70MPa升高到50.86MPa,提高了22%;MA-POE能够有效地降低WF/PP复合材料的弹性模量、储能模量和损耗模量,使三者都向低温偏移;采用MA-POE先与PP熔融共混后再与木粉混合的工艺可以进一步提高复合材的强度。动弹性模量分析证明添加MA-POE能够改善WF/PP复合材料的低温韧性。通过扫描电子显微镜也进一步印证了两相结合得到了改善。     

Synthesis of Isocyanic Acid from Nitric Oxide over Palladium and Iridium Catalysts

A novel and convenient synthesis of isocyanic acid (HNCO) and its trimer isocyanuric acid has been obtained by the conversion of nitric oxide (NO). Nitric oxide, carbon monoxide, and hydrogen mixed in helium at the level of 0.3 to 5 percent reacted over iridium and palladium catalysts at 280 degrees to 450 degrees C to form HNCO in 60 to 75 percent yield. Major side products were ammonium cyanate at low temperature and ammonia or nitrogen at high temperature. Total conversion of nitrogen from NO to NCO reached 73 percent over palladium and 86 percent over iridium.     

温度对余甘子采后贮藏期间感官及营养品质的影响

[目的]探讨贮藏温度对余甘子果实采后贮藏期间感官及营养品质的影响,为其贮藏保鲜提供理论依据.[方法]将余甘子果实分别置于5、10、15℃及室温条件下贮藏,测定果实的失重率、好果率及可溶性固形物、维生素C（Vc）、蛋白质和有机酸含量.[结果]贮藏温度对余甘子果实贮藏期间感官及营养品质影响的优劣表现顺序为：5℃＞10℃＞15℃＞室温;余甘子果实贮藏至12d,其水分、可溶性固形物、Vc、蛋白质和有机酸损失均以5℃贮藏的最小;5℃贮藏能使余甘子果实贮藏期延长6～9 d.[结论]低温贮藏能有效延缓采后余甘子果实感官及营养品质的下降,延长贮藏期,且以5℃贮藏保鲜效果最佳.