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the binding     
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  结合
     Investigation of the Binding Site of the Glycoconjugate LbGp4 and Its Glycan Chain LbGp4-OL from Lycium Barbarum L. on B Lymphocytes
     枸杞糖缀合物LbGp4及其糖链LbGp4-OL与小鼠B淋巴细胞结合位点的研究
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     Promotion of Therapeutic Angiogenesis by Peptide Competitively Blocking the Binding of Hypoxia Inducible Factor-1α and VHL Protein
     竞争性抑制缺氧诱发因子1α与VHL蛋白结合的多肽对血管形成的促进作用
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     Screening the Binding Peptides of NEP1-35 and NgR to Improve the Regeneration of Central Nervous System
     NgR和NEP1-35结合小肽的设计筛选及其促中枢神经再生研究
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     THE COOPERATIVE PHENOMENON IN THE BINDING OF LIGANDS TO OLIGOMERIC PROTEINS IN A TETRAHEDRAL MODEL
     四面体分子模型的寡聚蛋白结合配位体的协同现象
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     EFFECT OF ELECTRON-PHONON INTERACTION ON THE BINDING ENERGY OF A WANNIER EXCITON IN THALLIUM HALIDES
     电子-声子作用对卤化铊中Wannier激子结合能的影响
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  分子的结合
     Methods We tested the binding of a set of 31 synthetic TSHR extracellular domain peptides to eight HLA molecules in vitro by ELISA,determined the TSHR peptides which could bind with high affinity to the susceptibility gene of GD(HLA-DR3 and HLA-DQA1*0501) by calculating their IC50 values,and their binding ability to the protective gene of GD(HLA-DR7 and HLA-DQA1*0201) was also tested.
     方法应用ELISA方法检测31条人工合成的膜外区人TSHR多肽片段与8种HLA分子的结合,通过计算IC50值,确定能与G raves病易感基因HLA-DR3和HLA-DQA1*0501高亲和力结合的多肽片段,并检测它们与G raves病保护基因HLA-DR7及HLA-DQA1*0201的结合能力。
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     Objective To identify the immunogenic epitope of thyroid-stimulating hormone receptor(TSHR) that is involved in the pathogenesis of Graves' disease(GD) as auto-antigens by detecting the binding ability of human TSHR peptides and human leukocyte antigen(HLA) molecules.
     目的通过检测人促甲状腺激素受体(thyroid-stimu lating hormone receptor,TSHR)多肽片段与人白细胞抗原(hum an leukocyte antigen,HLA)分子的结合力,寻找人TSHR作为自身抗原导致G raves病的多肽位点。
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     Objective To analyze the binding of CTL epitope candidates to the HLA A2 molecule and the possibility of them being HLA A2 restricted CTL epitopes.
     目的 从理论上分析预测表位与HLA A2分子的结合情况及其为HLA A2限制性CTL表位的可能性。
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     These peptides specifically inhibited the binding of 15.2 antibody to ICAM,1 detected by competitive ELISA.
     但竞争抑制试验显示3个阳性克隆均可与15.2单抗间互相竞争抑制与ICAM-1分子的结合
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     However, compound 2 can enhance the binding ability with DLS greatly in comparison with that of β-CD.
     而引入碲桥键使化合物2对DLS分子的结合能力相对于β-CD有明显增强.
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  时结合
     The radioligand-receptor binding assay showed that the binding of [3H] FNZP to translated benzo-diazepine receptors was saturable and specific(KD= 1.17nmol/L,Bmax=1.5fmol/cell).
     放射性配体结合实验中,〔~3H〕FNZP终浓度高于0.6nmol/L时,结合趋于饱和,K_D=1.17nmol/L,B_(max)=1.5fmol/cell。
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     By the induction of IFN-γ,the binding rate and Ncpm of ~(131)I-Herceptin in the three cell lines increased by different degrees. When IFN-γ was 500U/ml or 1000U/ml,the binding rate increased significantly(P<0.05).
     经IFN-γ诱导后三种细胞对131I-Her-ceptin的结合率均增高,当IFN-γ浓度在500U/m l以上以及SK-BR-3经IFN-γ浓度为1000U/m l诱导时,结合率均显著提高(t值未列出,P<0.05)。
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     Stopped flow studies show that the binding equilibrium of emodin to bovine serum albumin (BSA) is established within 100ms.
     用停留技术研究了大黄素与牛血清白蛋白(BSA)结合反应的动力学,发现在25℃,pH10.0时结合在100ms即可达到平衡.
短句来源
     However, the binding level increased significantly as rats and mice developed from d 0 to d 28 , and reached the maximal binding on d 28 and then decreased slowly.
     在大鼠和小鼠出生时结合程度很低,然后逐渐增加,28日龄时达到最高。
短句来源
     The influential issues on the binding between ARPC2 and PRAK were then studied.
     在此基础上,对SB203580长时间处理细胞对野生型PRAK与ARPCZ结合的影响进行了研究,结果发现与PRAK(1 82A)和PRAK(KM)类似,也是未刺激时结合,刺激后结合减弱。
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  酶的结合
     In addition, the slight difference for the k cat values between the R 130L and R 130L/S 131A mutants suggested that Arg 130 mutation disrupted the hydrogen bond between Ser 131 and Cys 124. Furthermore, the arsenate binding affinity for R 125L, R 130L and R 158L mutants was decreased, suggesting that positive charges in the side chains of these three arginine residues may be helpful for the binding of the enzyme to the substrate.
     另外 ,单突变体R130 L和双突变体R130 L/S131A之间的kcat值相差很小 ,提示Arg130 单点突变后可能破坏了Ser131与Cys12 4 间的氢键。 再者 ,R12 5L、R130 L和R158L突变体都降低了砷酸盐结合亲和性 ,暗示这 3个精氨酸残基侧链上的正电荷可能有助于底物与酶的结合
短句来源
     The binding of 2′-dAMP and 5′-AMP may resultin different conformational changes on fructose 1,6-bisphosphatase and the interactionof 2′-OH of 5′-AMP with a certain group at the allosteric site of the enzyme wouldconduct the transmission of the message from the allosteric site to the catalytic site.
     表明5′-dAMP和5′-AMP结合后,对果糖1,6-二磷酸酯酶的催化部位的影响不同,2′羟基和酶的结合可能和别构部位的信号传导到催化部位有关系。
短句来源
     Firstly, by docking two classes of VEGFR inhibitors into the activity cavity ofKDR using AutoDock3.05, we identified the binding conformation of the inhibitorsand the functionally important residues of the active cavity of KDR.
     首先,我们使用AutoDock3.05软件对已报道的两大类VEGFR抑制剂与KDR进行了分子对接研究,确定了抑制剂与靶酶的结合构象和靶酶活性腔内与结合有关的关键残基,讨论了抑制剂的抑制常数与抑酶活性之间的线性关系。
短句来源
     Fur-ther,it was also found that the binding ofCa ̄(2+)+ to the enzyme was related to the singleHis residue of the enzyme.
     另外,我们还发现Ga ̄(2+)与酶的结合与酶中唯一的His残基有关。
短句来源
     CONCLUSION The differences in the amount of esteratic site available for soman detoxification and the binding rate between soman and detoxifying enzymes might be responsible for the species variation of detoxification capability in blood.
     结论 血液解毒能力的种属差异与种属间解毒酶结合位点数量的多少及梭曼与酶的结合速率密切相关
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  the binding
Ultraviolet (UV) melting curves of the DNA at 260 nm as well as the calorimetric measurements were used to estimate the binding constants (K), melting enthalpy (ΔH°m) and binding enthalpy (ΔH°b).
      
In order to search for better acetylcholinesterase (AchE) inhibitors, the binding properties of AchE with huperizine E, which is a derivative of huperzine A, were investigated with 1H nuclear magnetic resonance (1H NMR) method.
      
According to the electrochemical equation deduced in this paper, the binding constant of 1.36 × 105 (mol/L)-1 and the binding size of 1.94 (base pairs) of CFX with ctDNA were obtained by nonlinear fit analysis of the electrochemical data.
      
This work attempts to calculate the binding-site number using fluorescence spectroscopic method with bovine serum albumin (BSA) and Indo-1 as protein and ligand models, respectively.
      
The method for calculating the binding-site number in BSA for Indo-1 was developed based on the relationships between changes in Indo-1 fluorescence intensity and the analytical concentration of BSA.
      
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A new approximation method is proposed in this article for the discussion of molecular structures,and this new method includes the two well-known theories,molecular orbital theory and electron-pair bond theory as two special cases.Let a molecule have n bonds and let the ith bond be described by the anti-symmetrical two-electron bond function ψ_i(v_(2i-1),v_(2i)).(If there exist one- electron,three-electron or many-electron bonds,they can be similarly described by the corresponding one-electron,three-electron...

A new approximation method is proposed in this article for the discussion of molecular structures,and this new method includes the two well-known theories,molecular orbital theory and electron-pair bond theory as two special cases.Let a molecule have n bonds and let the ith bond be described by the anti-symmetrical two-electron bond function ψ_i(v_(2i-1),v_(2i)).(If there exist one- electron,three-electron or many-electron bonds,they can be similarly described by the corresponding one-electron,three-electron or many-electron bond func- tions.) Then the stationary state of the molecule is represented by the follow- ing wave function Ψ, where the summation is over all permutations of 1,2,……,2n except those within the interior of the functions,since each ψ_i is already anti-symmetrical.Obviously (2~n/((2n)/!))~(1/2) is the normalization factor. By quantum mechanics the energy of the molecule equals (1) here H_i,T_(ij) and S_(11)' are respectively the following three kinds of operators, (2) (3) (4) The third term of equation (1) is the exchange integral of electrons 1 and 1', while (1,2') is that of electrons 1 and 2'.According to the definition of bond functions,ψ_i may be written as (5) Substituting equation (5) into equation (1) and carrying out the integration over spin coordinates,we obtain (6) It can be easily seen from equation (6) that the combining energy of a mole- cule consists of two parts,one being the binding energy of the bonds represent- ed by the first term of equation (6),and the other being the interaction energy of the bonds denoted by the second term of that equation. If we choose certain functions φ_i~('s) involving several parameters and substi- tute them into equation (6),we may determine the values of those parameters by means of the variation principle. For the discussion of bond interaction energies,we develop a new method for the evaluation of certain types of three-center and four-center integrals.The interaction energy of a unit positive charge and an electron cloud of cylindrical- symmetry distribution may be written as (7) where (8) and R_0~2=a~2+b~2+c~2 The interaction energy of two electron clouds both of cylindrical-symmetry distributions with respect to their own respective axes is evaluated to be (9) (10) where is to sum over j from zero to the lesser value of n-2i and m, is to sum over i from zero to the integral one of n/2 and (n-1)/2,and is to sum over all cases satisfying the relation =m-j,while b_(n,n-2i) represents the coefficient of x~(n-2i) in the n th Legendre polynomial.

本文在分子结构理论方面,作了下列两点贡献:首先建议了用双电子或多电子键函数作为近似基础,来计算分子的近似能量和近似电子云分布。这样计算得来的结果,一定会比用分子轨道理论或电子配对理论好,因为它更真实的反映了分子的化学性质,同时它也包括了后两者,而以它们为特例。我们得到了分子结合能的表示式,用表示式证明了分子结合能由两部分组成:一部分是键的结合能,另一部分是键与键间的作用能。其次是建议了一种新方法,把在计算化学键相互间的作用能中遇到的一些三中心和四中心积分,还原为容易计算的二中心积分。这方法比以往所用的好,因为它计算比较简单,同时限制性也小。

Although James and Coolidge (1933) solved the molecular hydrogen problem in almost complete agreement with experiment by using a 13-term 2-electron eigenfunction, his method can hardly be applied to more complex molecules. For this and other reasons (Coulson, 1938), it is still desirable to obtain a good one-electron eigenfunction, i.e., molecular orbital, for the hydrogen molecule. The best molecular orbital treatment available in the literature was given by Coulson (1938), who used a trial eigenfunction in...

Although James and Coolidge (1933) solved the molecular hydrogen problem in almost complete agreement with experiment by using a 13-term 2-electron eigenfunction, his method can hardly be applied to more complex molecules. For this and other reasons (Coulson, 1938), it is still desirable to obtain a good one-electron eigenfunction, i.e., molecular orbital, for the hydrogen molecule. The best molecular orbital treatment available in the literature was given by Coulson (1938), who used a trial eigenfunction in elliptical coordinates involving 5 parameters and obtained 3.603 eV for the binding energy of H_2, which is to be compared with the ex- perimental value of 4.72 eV. In the present investigation we have proposed a new type of trial eigenfunction for the molecular orbital: (1) with p = centers a, b, g, c, d,…… i = electron 1 or 2 (2) where the p's are centers along the bond axis a-b (Fig. 1). In this simple problem both the Fock and Hartree methods yield the same result. The molecular orbital ψ must satisfy the following integral equation: (3) where ε is the energy of the molecular orbital, F is the Fock operator which is equal to H+G(1), while H is the one-electron Hamiltonian operator: H = -1/2▽~2-1/r_a-1/r_b (4) and G(1) is the interaction potential (5) Substituting (1) into (3), we obtain the linear combination coefficients c_p, which must satisfy the following secular equation: (6) where is the solution of the secular determinant and The F_(pq)'s are not at first known, but depend upon the c_p's. A method of successive approximation must therefore be adopted. A set of c_p values may be assumed, the F_(pq)'s calculated, the secular determinant (7) solved, and a new set of c_p values found. This process is repeated until a "self-consistent" set of c_p values is obtained. The above procedure was first proposed by Roothaan (1951), not for H_2 but for more complex molecules. It was called by him the "LCAO SCF (linear combination of atomic orbitals self-consistent field) method". The new feature of the present investigation is that we not only use LCAO but also LCNAO (linear combination of non-atomic orbitals, such as x_g, x_c, x_d, …). The order of secular determinant (7) may be reduced to half if we replace the eigen- functions x_a, x_b .... by their symmetrical and anti-symmetrical linear combinations x_a + x_b and x_a-x_b. Numerical calculations have been carried out both for the three- and the two-centered molecular orbitals. The three-centered molecular orbital is (10) (11) where S_(ab) and S(ag) are the overlapping integrals between x_a and x_b, and between x_a and x_g respectively. The parameters a and g have 'been obtained to give minimum energy by the method described above. They are a=l.190, g=0.22, and the binding energy is 3.598 eV, which is almost as good as that obtained by Coulson (3.603 eV) using a trial function of 5 parameters. The two-centered molecular orbital is (12) (13) which gives a maximum binding energy of 3.630 eV for a=1.190 and R~(ac)=R(bd)=0.105 (Fig. 1). This result is 'better than Coulson's. If we allow different values for the ex-ponent α in x_a and x_g in equation (11), or if we use a four-centered molecular orbital, such as ψ=a(x_a + x_b) + b(x_c + x_d) with four parameters, namely α_a=α_b, α_c=α_d, R_(ac)=R_(bd) and the ratio b/a, it is possible to obtain a still better result. Extension of the present method to the treatment of more complex molecules is now under investigation.

(1)討論了用自洽勢場多中心分子軌道法來處理H_2分子的一般方法。 (2)用僅含兩個參變數三中心分子軌道進行了具體計算,求得H_2分子的結合能為3.598eV,接近於Coulson用五個參變數的雙中心分子軌道所得的結果(3.603eV)。 (3)用不在原子核上的兩中心的分子軌道求得H_2分子的結合能為3.630 eV,此上述結果為好。並指出如用不同的α值和四個或四個以上中心的分子軌道,很有可能得到更好的結果。以上處理方法有可能推廣到比H_2更為複雜的分子。

An internal friction peak induced by carbon diffusion has been observed in f. c. c. iron-nickel alloys. At a vibrational frequency of 1.4 cycles per sec., the peak occurs at about 500°K. This peak arises from the preferential rotation of the axes of carbon pairs existed in the specimen under the influence of an alternating load. These carbon pairs were formed by the interaction between the substitutional carbon atoms and their neighboring interstitial carbon atoms. Based upon this mechanism and considering the...

An internal friction peak induced by carbon diffusion has been observed in f. c. c. iron-nickel alloys. At a vibrational frequency of 1.4 cycles per sec., the peak occurs at about 500°K. This peak arises from the preferential rotation of the axes of carbon pairs existed in the specimen under the influence of an alternating load. These carbon pairs were formed by the interaction between the substitutional carbon atoms and their neighboring interstitial carbon atoms. Based upon this mechanism and considering the possible redistribution of the carbon atoms amongst the frozen-in vacancies in the specimen during the course of internal friction measurement, an equation bearing the quantitative relationship between the peak height and the carbon concentration has been derived. The energy of vacancy formation as well as the binding energy of the carbon pairs have been determined.

固溶在面心铁—镍合金中的碳原子,能引起一个应力感生的扩散内耗峰。当振动频率约为1.4周/秒时,峰的位置在500°K附近。固溶的碳原子可以跳入点阵空位中而成为代位式碳原子,此碳原子舆另一个最近邻的间隙碳原子相结合后即形成一组碳原子对。在外加应力的作用下,这类碳原子对轴的择尤旋转便引起了内耗。根据这个机构并结合内耗测量过程中试样内部碳原子重新分布的情况,可以推导出碳浓度和内耗峰高度之间的定量关系,并从而求出合金的点阵空位形成能和构成碳原子对时所放出的能量。 铁—镍合金中碳扩散峰的特徵是:峰的二边内耗曲线不对称,在高温的一边,内耗反而比低温的一边为低。峰的位置T′随淬火温度或碳浓度之增加而渐向低温移动;峰愈出现在低的温度,T′Q_(max)~(-1)相乘积就愈大。根据本文所提出的理论,对这些特徵作了解释。

 
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