广东省异常血红蛋白研究Ⅺ 三例Hb G Honolulu的一级结构与功能研究

用快原子轰击抽谱技术测定3例Hb G Honolulu(α_2~(30Gly→Gln)β_2)的一级结构。经氧平衡曲线测定,发现此异常血红蛋白氧亲和力与Hb A的相同,2,3-DPG对它的效应亦正常。     

二苯醚衍生物的第一超极化率的理论研究

研究的二苯醚衍生物是氧桥Λ型分子,它含有两个D-π-A轴,属于典型的二维电荷转移体系,且它们的βxxx/βyxx< 1.我们利用HF/6-31G(d)//TDHF/6-31G(d)方法得到的二苯醚衍生物的第一超额级化率β计算值与可利用的实验值之间存在近似的线性关系.优化得到的此类分子的结构不对称,通过自然键轨道(NBO)分析发现,取代基和桥原子氧对分子的非线性光学性质有一定的影响.需要指出的是,这类分子的βtot在10-29esu左右,但是这类分子的透光性和热稳定性较好.     

满足xyz=--+的变换图Gxyz

图G的变换图G--+以V(G)∪E(G)为其顶点集,对任意的α,β∈V(G)∪E(G),α和β在图G--+中邻接的条件如下:(ⅰ)α,β∈V(G), 且α和β在G中不相邻,(ⅱ) α,β∈E(G), 且α和β在G中不相邻,(ⅲ) α∈V(G),β∈E(G), 且它们在G中相关. 本文主要证明除了12个图外,G--+都不是可平面图, 以及对于图G, G--+ ≌Pn--+当且仅当G≌Pn.     

变换图G~(-+-)的极大边连通性

对任意图G=(V(G),E(G)),其变换图G-+-的顶点集为V(G)UE(G),顶点α和β在G-+-中邻接当且仅当下列条件之一成立:当{α,β) E(G)时,α和β在G中不邻接或不关联;当{α,β} E(G),α和β在G中邻接.证明了所有连通的变换图G-+-都是极大边连通图.     

C2! C2n 上不可分原子的结构*

设G是有限阿贝尔群,S是群G上一个序列,称S是可分的原子,如果S ＝（g1＋g2）T ,其中g1,g2∈G,T∈F（G）满足S∈A（G）且g1 g2 T∈A（G）。设GC2"C2n是秩为2的有限阿贝尔群,且S是群G上长度为n ＋4的不可分原子,给出了群C2"C2 n 上不可分原子S的的具体结构。     

Al-Mg-Si合金GP区及β相界面电子结构分析

运用EET理论对A l-M g-S i合金GP区(L10型,下同)、β相(M g2S i)与基体的界面电子结构进行计算,着重从界面电子角度反映时效过程中GP区、β相与基体的界面结合性质、界面原子状态变化及界面对合金有关力学性能的影响,并分析原子状态变化的原因。结果表明:A l-M g-S i合金GP区与基体界面电子密度在一级近似下连续,GP区粒子易于长大,而β相不连续,抑制了β相再结晶晶粒的长大,但它在高应力下呈现连续,从而提高合金变形抗力。当界面最稳定时,GP区与基体界面的结合强于β相与基体界面的结合,当界面处于非稳定的临界状态时,与最稳定状态相比,GP区与基体界面结合能力下降,而β相升高。最稳定状态下的界面与体内各原子杂阶相比,GP区界面各类原子杂化能级总体上升,β相界面各类原子状态没有变化;当基体界面电子密度由最小值过渡到最大值时,GP区与β相中S i原子的杂阶均降低;GP区界面处基体A l原子的杂阶不变,但β相界面处基体A l原子的杂阶上升。     

P_3(G)的原子键连通性指标（英文）

原子键连通性(ABC)指标为烷烃的稳定性和环烷烃的应变能力提供了一个好模型,其定义为ABC(G)=∑uv∈E(G)((du+dv-2)/dudv)1/2.得到了P3(G)的原子键连通性指标的上界和下界.     

一维β-FPU双原子链中呼吸子解的存在及稳定性分析

采用线性稳定性分析的方法,讨论了一维β-FPU双原子链中呼吸子解的稳定性问题.首先在驻波边界条件下数值求解一维β-FPU双原子链晶格振动的方程组,得到了存在于该模型中的能隙呼吸子随时空演化的图形.此后引入线性稳定性分析方法,将其运用到一维β-FPU双原子链模型中,得到无论是非线性系数β>0(硬非线性情况)还是β<0时(软非线性情况),呼吸子解都是临界稳定存在的.     

两类树的伴随最小根的比较

h（G,x）表示图G的伴随多项式,β（G）表示h（G,x）的最小负实根,本文探讨β（1,1,n,p,1）与β（1,b,c）（4≤b≤c）的大小关系．     

扶手椅型石墨烯纳米带吸附钛原子链的电子结构和磁性

采用基于密度泛函理论的第一性原理方法,研究了扶手椅型石墨烯纳米带(10G、11G、12G和13G)吸附zigzag型Ti原子链的几何结构、电子性质和磁性。结果表明,zigzag型Ti原子链可以稳定吸附在石墨烯纳米带表面。Ti原子链吸附在纳米带的边缘洞位(10G-1、11G-1、12G-1和13G-1)时较为稳定,且稳定程度随着纳米带宽度的增加而增加。Ti原子链吸附在不同宽度石墨烯纳米带的不同位置,呈现不同的电子结构特性。其中,10G-1、10G-2和11G-2的吸附体系表现出半金属特性,其余吸附体系都为金属性质。同时,石墨烯纳米带吸附Ti原子链的体系具有磁性,其磁性主要来源于Ti原子。当Ti原子链吸附在纳米带边缘洞位时,zigzag原子链上A类Ti原子的磁矩总是小于B类Ti原子的磁矩;随着Ti原子链移向纳米带中心,两类Ti原子的磁矩趋于相等。研究结果揭示,通过吸附zigzag型Ti原子链,可以有效调控石墨烯纳米带的电子结构与磁性质。     

Conformational changes in the G protein Gs induced by the β2 adrenergic receptor

G protein-coupled receptors represent the largest family of membrane receptors that instigate signalling through nucleotide exchange on heterotrimeric G proteins. Nucleotide exchange, or more precisely, GDP dissociation from the G protein α-subunit, is the key step towards G protein activation and initiation of downstream signalling cascades. Despite a wealth of biochemical and biophysical studies on inactive and active conformations of several heterotrimeric G proteins, the molecular underpinnings of G protein activation remain elusive. To characterize this mechanism, we applied peptide amide hydrogen-deuterium exchange mass spectrometry to probe changes in the structure of the heterotrimeric bovine G protein, Gs (the stimulatory G protein for adenylyl cyclase) on formation of a complex with agonist-bound human β(2) adrenergic receptor (β(2)AR). Here we report structural links between the receptor-binding surface and the nucleotide-binding pocket of Gs that undergo higher levels of hydrogen-deuterium exchange than would be predicted from the crystal structure of the β(2)AR-Gs complex. Together with X-ray crystallographic and electron microscopic data of the β(2)AR-Gs complex (from refs 2, 3), we provide a rationale for a mechanism of nucleotide exchange, whereby the receptor perturbs the structure of the amino-terminal region of the α-subunit of Gs and consequently alters the 'P-loop' that binds the β-phosphate in GDP. As with the Ras family of small-molecular-weight G proteins, P-loop stabilization and β-phosphate coordination are key determinants of GDP (and GTP) binding affinity.     

简单图的支配数和上可嵌入性(英文)

设图G是n阶简单连通图.如果G的支配数为1,则G是上可嵌入的.如果G是2-边连通且G的支配数为2,则G是上可嵌入的.如果G是3-边连通且G的支配数为3,则G的最大亏格介于|(β(G)-2)/2|和|β(G)/2|之间,其中β(G)=|E(G)|-|V(G)|+1.论文得到了一些在控制数和边连通度条件下的最大亏格的界.     

一种非线性BA模型研究

幂律分布是无标度网络的一个关键特性.在非线性BA模型理论的基础上,给出了图G*(m,N,β)的构造算法,并且在0＜β＜1、β＞1和β→+∞3种形式下研究了该模型,获得了不同β取值条件下Pr[D=k]的分布规律.     

Crystal structure of the β2 adrenergic receptor-Gs protein complex

G protein-coupled receptors (GPCRs) are responsible for the majority of cellular responses to hormones and neurotransmitters as well as the senses of sight, olfaction and taste. The paradigm of GPCR signalling is the activation of a heterotrimeric GTP binding protein (G protein) by an agonist-occupied receptor. The β(2) adrenergic receptor (β(2)AR) activation of Gs, the stimulatory G protein for adenylyl cyclase, has long been a model system for GPCR signalling. Here we present the crystal structure of the active state ternary complex composed of agonist-occupied monomeric β(2)AR and nucleotide-free Gs heterotrimer. The principal interactions between the β(2)AR and Gs involve the amino- and carboxy-terminal α-helices of Gs, with conformational changes propagating to the nucleotide-binding pocket. The largest conformational changes in the β(2)AR include a 14 ? outward movement at the cytoplasmic end of transmembrane segment 6 (TM6) and an α-helical extension of the cytoplasmic end of TM5. The most surprising observation is a major displacement of the α-helical domain of Gαs relative to the Ras-like GTPase domain. This crystal structure represents the first high-resolution view of transmembrane signalling by a GPCR.     

β-环糊精交联聚合物吸附水中亚甲蓝的机理

以氧化镁为致孔剂,利用环氧氯丙烷交联β-环糊精,合成多孔β-环糊精交联聚合物(β-CDP).考察β-CDP对亚甲蓝(MB)的吸附动力学、热力学讨论吸附的作用机理,并考察pH值、MB的初始质量浓度、吸附剂的投入量、吸附时间及吸附温度对β-CDP吸附MB的影响.结果表明:在室温下,水体的pH值为6.54,MB初始质量浓度为40 mg·L^-1,吸附剂投入量为0.6 g·L^-1,β-CDP的最大吸附量为62.6 mg·L^-1;吸附符合准二级吸附动力学模型和Freundlich等温吸附模型;结合颗粒内扩散模型,以及吸附热力学数据ΔH为20.50 kJ·mol^-1,ΔG为-6.1~-7.5 kJ·mol^-1,可得该吸附为异质表面的多因素联合控制物理吸附.     

β-环糊精与肉桂醛的包结行为研究

β-环糊精(β-CD)/肉桂醛包合物的形成大大改善了肉桂醛的物化性质,通过TG-DSC和UV-vis分析,表明β-CD与肉桂醛形成了摩尔比为1∶1的包合物,298 K时的包结常数为328.8 M-1.通过变温UV-vis实验得到了β-CD与肉桂醛包结过程的热力学参数,ΔH为-53.71 kJ.mol-1,ΔS为-0.132 kJ.mol-1.K-1,ΔGθ为-14.35 kJ.mol-1,表明此包结过程是一个焓驱动的放热的自发过程.最后,用PM3对β-CD/肉桂醛包合物的最稳定结构进行了分子模拟,认为肉桂醛的醛基位于β-CD的大口端,与β-CD的仲羟基存在着氢键作用,与实验表征结果一致.     

具有极点和正则点的非线性迭代方程的解析解

本文主要研究具有极点和正则点的非线性迭代方程G(z)x′(z)=x(αz+βx(z))+F(x(z))的解析解.在第二章和第三章中通过把已知方程转化为不含未知函数迭代的辅助方程[ψ(λz)-αψ(z)][λψ′(λz)-αψ′(z)]G(ψ(z))=ψ(z)[ψ(λz)-αψ(z)][ψ(λ2z)-αψ(λz)]ψ′(z)+β2ψ(z)ψ′(z)F(1/β(ψ(λz)-αψ(z))),z∈C.和G(g(z))[γg′(γz)-αg′(z)]=b(γ2z)-αg(γz)]g′(z)+βg′(z)F(1/β(g(γz)-αg(z))).从而得到原方程在极点和正则点处的解析解x(z)=1/β[ψ(λψ-1(z))-αz,x(z)=1/β[g(γg—1(z))-αz].     

Structure and function of an irreversible agonist-β(2) adrenoceptor complex

G-protein-coupled receptors (GPCRs) are eukaryotic integral membrane proteins that modulate biological function by initiating cellular signalling in response to chemically diverse agonists. Despite recent progress in the structural biology of GPCRs, the molecular basis for agonist binding and allosteric modulation of these proteins is poorly understood. Structural knowledge of agonist-bound states is essential for deciphering the mechanism of receptor activation, and for structure-guided design and optimization of ligands. However, the crystallization of agonist-bound GPCRs has been hampered by modest affinities and rapid off-rates of available agonists. Using the inactive structure of the human β(2) adrenergic receptor (β(2)AR) as a guide, we designed a β(2)AR agonist that can be covalently tethered to a specific site on the receptor through a disulphide bond. The covalent β(2)AR-agonist complex forms efficiently, and is capable of activating a heterotrimeric G protein. We crystallized a covalent agonist-bound β(2)AR-T4L fusion protein in lipid bilayers through the use of the lipidic mesophase method, and determined its structure at 3.5?? resolution. A comparison to the inactive structure and an antibody-stabilized active structure (companion paper) shows how binding events at both the extracellular and intracellular surfaces are required to stabilize an active conformation of the receptor. The structures are in agreement with long-timescale (up to 30?μs) molecular dynamics simulations showing that an agonist-bound active conformation spontaneously relaxes to an inactive-like conformation in the absence of a G protein or stabilizing antibody.     

荧光法检测根际土壤胞外酶活性的优化

为准确测定土壤胞外酶活性,对β-葡萄糖苷酶(βG)、纤维二糖水解酶(CBH)、β-N-乙酰氨基葡萄糖苷酶(NAG)和亮氨酸氨基肽酶(LAP)、碱性磷酸酶(AKP)5种有关C、N、P循环的关键酶的荧光法测定进行了优化.结果发现,使用Cytation5等高灵敏度的酶标仪测定时水土比值应高于300∶1(mL∶g).5种胞外酶活性的最佳测定参数为:AKP、βG用超纯水作缓冲溶液,XH-C漩涡混匀器(60 W)混匀土壤5 min,25 ℃培养4 h;CBH用乙酸钠(0.2 mol/L,pH 5.8)作缓冲溶液,XH-C漩涡混匀器(60 W)混匀土壤5 min,25 ℃培养2 h;NAG用乙酸钠(0.2 mol/L,pH 5.8)作缓冲溶液,摇床(150 r/min)混匀60 min,25 ℃培养3 h;LAP用超纯水作缓冲溶液,摇床(150 r/min)混匀60 min,25 ℃培养1 h.本研究结论可为提高荧光法准确测定土壤胞外酶活性提供依据.