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hydrogen-bond
相关语句
  氢键
     The Role of Hydrogen-Bond in Constructing Supramolecule [Cu(C_6H_4NO_2)_2(H_2O)_3·H_2O]
     氢键在构建超分子[Cu(C_6H_4NO_2)_2(H_2O)_3·H_2O]中的作用
短句来源
     Ab initio Studies on the Structures of the Hydrogen-bond Clusters C_5H_ (10)NH(NH_3)_n(n=1—3)
     六氢吡啶和氨形成的氢键团簇C_5H_(10)NH(NH_3)_n(n=1~3)结构的从头算研究
短句来源
     According to the calculational and analytic results, the microcosmic reaction process is IM1→ TS1→IM2→TS2→IM3→TS3→P+H2O. Especially, IM3 is a hydrogen-bond compound. The controlling step of the whole reaction is IM3→TS3→P+H2O, with its activation energy of 167.17 kJ/mol.
     根据计算和分析可知:丁二酸脱水制备丁二酸酐的微观反应途径为IM1→TS1→IM2→TS2→IM3→TS3→P+H2O,在反应过程中IM3为氢键复合物,整个反应的速控步为IM3→TS3→P+H2O,其所需活化能为167.17kJ/mol.
短句来源
     Multiphoton Ionization and Ab Initio Calculation of C4H5N- (NH3)n Hydrogen- bond Clusters
     C_4H_5N-(NH_3)_n氢键团簇的多光子电离与从头计算
短句来源
     As shown by the results, in the crystal structures where the strong formation groups of hydrogen-bonds lack, weak interactions such as CH/π, π/π and weak hydrogen-bond (C—H…X, X——O, N, Cl, Br) play important roles in the molecular self-assembling into crystal structures and affect the crystal symmetry.
     结果表明:在这些缺少强氢键生成基团的晶体结构中,弱相互作用π/π,CH/π及弱氢键(C—H…X,X——O,N,Cl,Br)对分子自组装成晶体的过程及对晶体的对称性产生重要影响.
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  “hydrogen-bond”译为未确定词的双语例句
     IMMOBILIZATION OF GLUCOSE OXIDASE AND CELLULASE BY ENTRAPMENT OF HYDROGEN-BOND COMPLEX
     IMMOBILIZATION OF GLUCOSE OXIDASE AND CELLULASE BY ENTRAPMENT OF HYDROGEN-BOND COMPLEX
短句来源
     Scatchard analysis shows that this MIP can recognize 2,4-D through hydrogen-bond interaction,The maximum number of these binding site and the dissociation constant of MIP toward 2,4-D are 69.7 μmol·g~(-1) and 9.96×10~(-3) mol·L~(-1) respectively.
     用Scatchard法分析表明,该分子印迹聚合物通过氢键作用力结合,对2,4-D的最大表观吸附量Qmax为69.7μmol. g-1,平衡离解常数Kd为9.96×10-3mol.
短句来源
     The molecular structure and packing are stabilized by N-H…S intermolecular hydrogen-bond interaction.
     标题化合物具有缩氨基硫脲的顺式结构并且其分子结构略微歪斜,由于N H…S等分子间氢键作用,使得分子结构更趋稳定。
短句来源
     Crystal Engineering of Novel Azocyclic Supramolecular Structures Based on Hydrogen-bond Synthons
     基于氢键合成子构筑新颖含氮杂环超分子结构的晶体工程
短句来源
     is the capacity factor by linear extrapolacion of logk values at various proportions of modifier to zero modifier, β_m and α_m are the parameters that measure solute hydrogen-bond acceptor basicity and hydrgen-bond donor acidity, a, b, c, and a are the coefficients depended on a chromatographic system.
     式中a、b、c和d分别与色谱体系有关的常数,β_m和α_m分别为衡量溶质分子接受质子和给予质子能力的参数。
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  相似匹配句对
     Hydrogen from Coal
     碳氢燃料规模制氢的现状及发展趋势
     Hydrogen Energy
     浅谈氢能
     . H-O hydrogen bonding.
     X -射线单晶结构分析表明 ,该化合物的羧基O和配位水分子O通过O…H—O氢键在链方向上和链之间形成网状结构 .
短句来源
     Bonded Hydrogen in Diamond
     金刚石中的成键氢
短句来源
     Electronegativity ?-The Electronegativity of Hydrogen
     电负性研究(Ⅱ)—氢的电负性
短句来源
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  hydrogen-bond
A model of electric conductivity assuming the formation of a labile spatial hydrogen-bond network in the contact gap is proposed and used for explaining the results obtained.
      
To find these value, molecular cluster systems modeling the Bjerrum defects of the hydrogen-bond network of water localizing the additional electron were calculated.
      
Small distortions, as well as breakage, of the continuity of the hydrogen-bond network are sufficient.
      
IR and UV spectrosocopy and quantum chemistry were used to reveal a bifurcate (three-center) hydrogen bond in the complexes of 2-(1,2,2-tricyanovinyl)pyrrole with hydrogen-bond acceptors.
      
N-Methyltrifluoromethanesulfonamide as hydrogen-bond donor
      
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The crystal structure of the addition product of acrolein with sodium bisulfite has an ortho-rhombic unit cell with a=18. 24,b=7. 05and c=4. 77,which contains 2[CH_2CHCHO·2NaHSO_3·4H_2O].The space group is very likely D_(2h)~(13) -P(2_1/m)(2_1/m)(2/n).However,the related spacegroup C_(2v)~7. is not yet conclusively excluded.The parameters of SO_3 groups and Na atoms were derived mainly from selected Patter-son sections.On basis of the above parameters,Fourier method was applied to locate lighteratoms (Fig.3,4,5)...

The crystal structure of the addition product of acrolein with sodium bisulfite has an ortho-rhombic unit cell with a=18. 24,b=7. 05and c=4. 77,which contains 2[CH_2CHCHO·2NaHSO_3·4H_2O].The space group is very likely D_(2h)~(13) -P(2_1/m)(2_1/m)(2/n).However,the related spacegroup C_(2v)~7. is not yet conclusively excluded.The parameters of SO_3 groups and Na atoms were derived mainly from selected Patter-son sections.On basis of the above parameters,Fourier method was applied to locate lighteratoms (Fig.3,4,5) .The structure thus derived reveals that the addition product in question isa racemic 1-hydroxy-propane-1,3-disulfonate (Fig.2) .The bonds within a disulfonate ion areappropriate covalent bonds (Fig.6) .Water molecules link with each other and with di-sulfonate ions through hydrogen bonds (Fig.7) .The sodium ions are coordinated octahedrallyby oxygen atoms (Fig.8) .It is surprising that in the case of C_(2v)~7 or D_(2h)~(13) ,the theory of spacegroups reguires the asymmetric disulfonate ions to sit on a mirror plane or a pair of mutuallyperpendicular mirror planes respectively.This anomaly is understandable in terms of disorder(Fig.9 and 10) .

丙烯醛亚硫酸氢钠加合物,(CH_2=CH-CHO·2NaHSO_3·4H_2O)的空间群为 D_(2h)~(13) -P2_1/m 2_1/m 2/n,每个晶胞中含有2个克式量的加合物,正交晶胞的参数为 a=18. 24,b=7. 05,c=4. 77。从 Patterson 函数 P u,0,w),P(u,1/4,w)和 P(u,0. 35,w)中引出 SO_3 团和钠原子的参数。从上述参数合成了 Fourier 投影ρ(x,y)和 P(x,z),得出整个结构的模型和参数。根据这些参数合成的 Fourier 切面ρ(x,1/4,z)进一步确定了上述结构模型。上述结构分析的结果指出:(1) 丙烯醛加合物是1-羟基丙烷-1,3-二磺酸的钠盐,Na_2[O_3SCHOHCH_2CH_2SO_3] ·4H_2O;(2) 二磺酸根离子中的 C-S=1. 78(平均长度),S-O=1. 42(平均长度),其余的数据和一般共价单键者很接近;(3) 钠离子处在磺酸根和水分子的氧原子形成的八面体配位中;(4) 水分子以氢键填充在分布於和(010) 平行的层中的二磺酸根离子间的空隙中,而钠离子通过它的氧原子配位使各二磺酸根离子...

丙烯醛亚硫酸氢钠加合物,(CH_2=CH-CHO·2NaHSO_3·4H_2O)的空间群为 D_(2h)~(13) -P2_1/m 2_1/m 2/n,每个晶胞中含有2个克式量的加合物,正交晶胞的参数为 a=18. 24,b=7. 05,c=4. 77。从 Patterson 函数 P u,0,w),P(u,1/4,w)和 P(u,0. 35,w)中引出 SO_3 团和钠原子的参数。从上述参数合成了 Fourier 投影ρ(x,y)和 P(x,z),得出整个结构的模型和参数。根据这些参数合成的 Fourier 切面ρ(x,1/4,z)进一步确定了上述结构模型。上述结构分析的结果指出:(1) 丙烯醛加合物是1-羟基丙烷-1,3-二磺酸的钠盐,Na_2[O_3SCHOHCH_2CH_2SO_3] ·4H_2O;(2) 二磺酸根离子中的 C-S=1. 78(平均长度),S-O=1. 42(平均长度),其余的数据和一般共价单键者很接近;(3) 钠离子处在磺酸根和水分子的氧原子形成的八面体配位中;(4) 水分子以氢键填充在分布於和(010) 平行的层中的二磺酸根离子间的空隙中,而钠离子通过它的氧原子配位使各二磺酸根离子层连接起东;(5) 在每个二磺酸根离子中,羟基可以机遇地分布在四个等同的 a 位置上:(6) 晶体含有同数的1-羟基丙烷-1,3-二磺酸根离子的对映体;(7) 晶体中的水分子亦参与使晶体取得 D_(2h)对称性的无序现象。本工作使醛的亚硫酸氢盐加合物是 a 羟基磺酸盐的观点取得了新的、富有说服力的论证。

The crystal structure of sodium tetraselenite has a monoclinic unit cell with a=5.90A, b=4.82A, c=10.19A, β = 91°20', which contains 2 {NaH3(SeO2)2}. The space group is Gs2-Pn.The equatorial Weissenberg photograph h0l indicates that the projection of the structure onto the plane (010) has a pseudo plane group p6m and a pseudo unit cell with a' = 5.94A, b'=5.90A, r' = 119°50'. The pseudo plane group helped to fix the selenium and sodium atoms in the projection (Figure 1) and the Patterson projectionP(v, w) gave...

The crystal structure of sodium tetraselenite has a monoclinic unit cell with a=5.90A, b=4.82A, c=10.19A, β = 91°20', which contains 2 {NaH3(SeO2)2}. The space group is Gs2-Pn.The equatorial Weissenberg photograph h0l indicates that the projection of the structure onto the plane (010) has a pseudo plane group p6m and a pseudo unit cell with a' = 5.94A, b'=5.90A, r' = 119°50'. The pseudo plane group helped to fix the selenium and sodium atoms in the projection (Figure 1) and the Patterson projectionP(v, w) gave the values of their y coordinates. Then, the selenium and sodium atomswere seen to be distributed according to the space group C2h5 - P21/m. The oxygenatoms were located by a modified Fourier method. The Fourier projections p(x,z) and p(y, 2) (Figure 2 and 3) confirm the structure (Table 2 and Figure 4) satisfactorily.The pyramidal molecule SeO(OH)2 and ion [SeO2(OH)]- in the crystal correspond to the symmetrical structure formulaerespectively, where Se-OH = 1.75-1.82A and Se = O = 1.66-1.69A (Figure 5). The molecules SeO(OH)2 and ions [SeO2(OH)]- are linked through the hydrogen bonds O-H…O = 2.46-2.83A to form infinite chains of composition H3(SeO3)2 (Figure 6) and these chains are held together laterally by the sodium ions between them. The sodium ions are coordinated octahedrally by oxygen atoms (Figure 7).

单斜晶体NaH_3(SeO_3)_2的晶胞参数为α=5.90(?),b=4.82(?),c=10.19(?),β=91°20′。晶胞中含有2{NaH_3(SeO_3)_2}。密度的计算值和观测值各为3.22_4和3.21±0.01克/厘米~3。根据系统消光,晶体结构中存在着滑移面n。最后根据全部原子的坐标值肯定晶体的空间群为C_3~2—Pn。 根据Weissenberg图hOl上各衍射点的分布情况,可为结构在(010)面上的投影引出一个a′=5.94(?),b′=5.90(?),γ′=119°50′的假六方单位,投影的假二维空间群为p6m。假六方单位的a′=1/2(c-α),b′=α如图1中所示。Patterson投影P(u,w)肯定了图1中Se和Na原子的x,z坐标,而P(v,w)给出了它们的y坐标。从这些坐标值看来,晶体中的Se和Na原子系按空间群C_(2h)~5-P2_1/n分布。依靠上述重原子的坐标值并按空间群C_2h~5计算了电子密度分布函数ρ(x,z)和ρ(y,z)。计算结果指出,晶胞中的O原子系按空间群C_3~2分布。最后按空间群C_3~2对上述电子密度分布函数逐步进行修改,使O原子有了明确的表...

单斜晶体NaH_3(SeO_3)_2的晶胞参数为α=5.90(?),b=4.82(?),c=10.19(?),β=91°20′。晶胞中含有2{NaH_3(SeO_3)_2}。密度的计算值和观测值各为3.22_4和3.21±0.01克/厘米~3。根据系统消光,晶体结构中存在着滑移面n。最后根据全部原子的坐标值肯定晶体的空间群为C_3~2—Pn。 根据Weissenberg图hOl上各衍射点的分布情况,可为结构在(010)面上的投影引出一个a′=5.94(?),b′=5.90(?),γ′=119°50′的假六方单位,投影的假二维空间群为p6m。假六方单位的a′=1/2(c-α),b′=α如图1中所示。Patterson投影P(u,w)肯定了图1中Se和Na原子的x,z坐标,而P(v,w)给出了它们的y坐标。从这些坐标值看来,晶体中的Se和Na原子系按空间群C_(2h)~5-P2_1/n分布。依靠上述重原子的坐标值并按空间群C_2h~5计算了电子密度分布函数ρ(x,z)和ρ(y,z)。计算结果指出,晶胞中的O原子系按空间群C_3~2分布。最后按空间群C_3~2对上述电子密度分布函数逐步进行修改,使O原子有了明确的表现,并取得了图2和图3中的结果。晶胞中各原子的坐标值按空间群C_3~2列于表2中。晶体结构示出于图4中。 晶体中三角锥形的分子SeO(OH)_2和离子[SeO_2(OH)]各相当于对称结构式 其中Se—OH=1.75—1.82(?),Se=O=1.66—1.69(?)(图5)。分子SeO(OH)_2和离子[SeO_2(

The effect of irradiation by X-rays, without the exclusion of oxygen, on the molecular structureof calf thymus DNA has been studied. The reduced viscosity (η_(sp)/c) was decreased and themolar extinction coefficient (ε_(260mμ)) increased with increasing X-ray dosage at a definite doserate. Besides these apparent effects, there were, as deduced from studies on heat-lability, alsohidden damages in the DNA macromolecule, even with dosage as low as 1×10~4r. Whileη_(sp)/cand e26anu of the unirradiated DNA remained...

The effect of irradiation by X-rays, without the exclusion of oxygen, on the molecular structureof calf thymus DNA has been studied. The reduced viscosity (η_(sp)/c) was decreased and themolar extinction coefficient (ε_(260mμ)) increased with increasing X-ray dosage at a definite doserate. Besides these apparent effects, there were, as deduced from studies on heat-lability, alsohidden damages in the DNA macromolecule, even with dosage as low as 1×10~4r. Whileη_(sp)/cand e26anu of the unirradiated DNA remained unchanged after incubahon in 0.2M NaCl at76'C for 60 min., the irradiated DNA uPOn incubation shovvcd further decreases in V,./c and in-crea5es in ε_(260mμ). This decreased stability of the irradiated DNA towards heating revealed that,in addition to the disruption of some of the hydrogen-bonds in DNA immediately upon irradia-tion, a labilization of other hydrogen-bonds has also occurred. A protective agent, probably Ca-citrate, was found to be present in the stock solution of DNA.In the presence of this protective agent, the η_(sp)/c of DNA remained constant after 6×10~4rand decreased slightly after 12×10~4 r irradiation, with no significant changes in ε_(260nμ). However,the hidden damage was not prevented and it developed to greater extents with increasing dosages. Samples which suffered only hidden damages provided comparatively simple systems for theinvestigation of the nature of primary events occurring upon irradiation and their bearing on theapparent degradation of the DNA molecule. In the presence of the protective agent, the dose-effect curves based on η_(sp)/c measurements showed that, preceding the appearance of degradation,there was an apparently stable phase during which the hidden damage was actually developing, asevidenced by the increased heat-lability. This suggested that the hidden damage may involve the disruption of one of the chains ofthe double-helical structure of DNA, causing the breakagc of the hydrogen-bonds near the pointsof main-chain damage, rendering the other hydrogen-bonds unstable toward 76℃ incubation, andeventually resulting in the degradation of the macromolecule as an accumulative effect. Provided that there is no essential difference between the direct and the indirect action of X-rays on DNA, the mechanism suggested above could also account for the process of degradationproduced in the absence of the protective agent, which probably acts only in the neutralization offree-radicals produced from water by irradiation. The mechanism of the action of Ca-citrate as a protective agent for DNA and the significanceof the hidden damage of the DNA macromolecule in the primary and cumulative hiological effectof radiation were also discussed.

(1)用X射线照射小牛胸腺DNA溶液,以还原粘度和紫外吸收光谱的变化为指标,证明射线对DNA大分子除有直接显露的降解之外,还可导致对76度保温不稳定性的出现。这反映了结构上隐藏破坏的存在。隐藏破坏与所接受照射的剂量成比例地增加。(2)按Zamenhof法制备的DNA样品储存液中合有“保护物质”。在“保护物质”的存在下,DNA溶液可耐受6×10~4r的照射而无直接显露的降解发生。但隐藏破坏却不可避免,在一定剂量下可以单独地存在,并随剂量之增加而发展,当剂量增加到一定程度时,显露的降解随之出现。(3)“保护物质”是可透析的,它具有抗射线的作用,而不是保全已遭受降解的DNA的大小外形。实验结果表明“保护物质”可能是钙-柠檬酸盐。讨论了钙-柠檬酸盐保护作用的机制。(4)比较隐藏破坏单独存在和与直接显露的降解同时存在的实验结果表明,隐藏破坏的本质包括了:1)主链的单侧打断,2)部分氢键的破坏,3)残余氢键不稳定性的增加。在三者之间有平行的比例关系。主链的打断可能是后二者出现的原因。分子的直接降解可能又是隐藏破坏积累的结果。(5)在“保护物质”存在下照射DNA,为人工制造隐藏破坏,研究DNA的结构与功能提供了一个简便的方...

(1)用X射线照射小牛胸腺DNA溶液,以还原粘度和紫外吸收光谱的变化为指标,证明射线对DNA大分子除有直接显露的降解之外,还可导致对76度保温不稳定性的出现。这反映了结构上隐藏破坏的存在。隐藏破坏与所接受照射的剂量成比例地增加。(2)按Zamenhof法制备的DNA样品储存液中合有“保护物质”。在“保护物质”的存在下,DNA溶液可耐受6×10~4r的照射而无直接显露的降解发生。但隐藏破坏却不可避免,在一定剂量下可以单独地存在,并随剂量之增加而发展,当剂量增加到一定程度时,显露的降解随之出现。(3)“保护物质”是可透析的,它具有抗射线的作用,而不是保全已遭受降解的DNA的大小外形。实验结果表明“保护物质”可能是钙-柠檬酸盐。讨论了钙-柠檬酸盐保护作用的机制。(4)比较隐藏破坏单独存在和与直接显露的降解同时存在的实验结果表明,隐藏破坏的本质包括了:1)主链的单侧打断,2)部分氢键的破坏,3)残余氢键不稳定性的增加。在三者之间有平行的比例关系。主链的打断可能是后二者出现的原因。分子的直接降解可能又是隐藏破坏积累的结果。(5)在“保护物质”存在下照射DNA,为人工制造隐藏破坏,研究DNA的结构与功能提供了一个简便的方法。

 
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