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91.
92.
利用相关函数-超球谐-广义Laguerre函数方法,研究He原子^3S态波函数向超球谐函数展开的收敛行为。截止于l=0,1,2的超球谐函数给出的本征能分别与组态相互作用的s-,sp-,spd-极限能一致。仅用44个超球谐函数,便得到了与精确的HylleraasCI变分能量小数点后第5位的2^3S,3^3S的4^3S态本征能吻合。 相似文献
93.
Benkoski JJ Bowles SE Korth BD Jones RL Douglas JF Karim A Pyun J 《Journal of the American Chemical Society》2007,129(19):6291-6297
The assembly and direct imaging of ferromagnetic nanoparticles into one-dimensional mesostructures (1-D) are reported. Polymer-coated ferromagnetic colloids (19 nm, 24 nm) were assembled at a crosslinkable oil-water interface under both magnetic field induced and zero-field conditions and permanently fixed into 1-D mesoscopic polymer chains (1-9 mum) in a process referred to as Fossilized Liquid Assembly (FLA). In the FLA process, nanoparticle chains were fixed at the oil interface through photopolymerization, enabling direct visualization of organized mesostructures using atomic force microscopy. Using the FLA methodology, we systematically investigated different conditions and demonstrated that dispersed ferromagnetic colloids possess sufficient dipolar interactions to organize into mesoscopic assemblies. Application of an external magnetic field during assembly enabled the formation of micron-sized chains which were aligned in the direction of the applied field. This universal methodology is an attractive alternative technique to cryogenic transmission electron microscopy (cryo-TEM) for the visualization of nanoparticle assembly in dispersed organic media. 相似文献
94.
Bouchmella K Boury B Dutremez SG van der Lee A 《Chemistry (Weinheim an der Bergstrasse, Germany)》2007,13(21):6130-6138
The structural characterization of molecular assemblies constructed from imidazolyl-containing haloalkenes and haloalkynes is reported. 1-(3-Iodopropargyl)imidazole (2) and 1-(2,3,3-triiodoallyl)imidazole (5) were synthesized from 1-propargylimidazole (1). In the solid state, these wholly organic modules self-assemble through N...I halogen-bonding interactions, thus giving rise to polymeric chains. The N...I interaction observed in 2 (d(N...I)=2.717 A, angle-spherical C(sp)-I...N=175.8 degrees) is quite strong relative to previously reported data. The N...I interaction in 5 (d(N...I)=2.901 A, angle-spherical C(sp2)-I...N=173.6 degrees) is weaker, in accordance with the order C(sp)-X<--base>C(sp2)-X<--base. Compound 5 was found to give a 1:1 cocrystal 4 with morpholinium iodide (6). In the X-ray crystal studies of 4, N...I halogen-bonding interactions similar to those observed in 5 were shown not to be present, as the arrangement of the molecules is governed by two interwoven hydrogen-bonding networks. The first network involves N-H...O interactions between nearby morpholinium cations, and the second network is based on N-H...N hydrogen bonding between morpholinium cations and imidazolyl groups. Both hydrogen-bonding schemes are charge-assisted. Halogen bonding is not completely wiped out, however, as the triiodoalkene fragment forms a halogen bond with an iodide anion in its vicinity (d(I...I)=3.470 A, angle-spherical C(sp2)-I...I=170.7 degrees). X-ray crystal studies of 6 show a completely different arrangement from that observed in 4, namely, N-H...O interactions are not present. In crystalline 6, morpholinium cations are interconnected through C-H...O bridges (d(H...O)=2.521 and 2.676 A), and the NH2+ groups interact with nearby iodide anions (d(H...I)=2.633 and 2.698 A). 相似文献
95.
Elena V. Piletska Maria Romero-Guerra Iva Chianella Kal Karim Anthony P.F. Turner Sergey A. Piletsky 《Analytica chimica acta》2005,542(1):111-117
The synthetic receptors for cocaine, deoxyephedrine, methadone and morphine were computationally designed and produced using molecular imprinting. The structure and energy of the molecular complexes were analysed by computational techniques. The possible structures of the binding sites in the synthetic receptors have been compared with those of corresponding natural receptors. The composition of imprinted polymers was optimised to allow adequate performance under the same experimental conditions. All selected molecular imprinting polymers (MIPs) demonstrated stronger affinity in comparison with corresponding blank polymers resulting in imprinted factors (I) equal to 1.2 (cocaine), 2.5 (deoxyephedrine), 3.5 (methadone) and 3 (morphine) which suggested that the specific binding site for each molecule was successfully created. The polymers studied possessed good selectivity and affinity towards their templates and could be recommended for the integration with sensor devices. From a practical point of view, especially for multisensor requirements, the synthetic receptors based on imprinted polymers could be superior to natural receptors due to their stability, robustness and compatibility with automation processes required for sensor fabrication. 相似文献
96.
多维色谱分离、串联质谱分析技术已在蛋白质组研究中得到广泛应用。然而生物样品的蛋白质以及全酶切肽段具有高度的复杂性,这严重干扰了蛋白质高通量、规模化的分析。通过标签肽段富集进行样品预分离可以降低体系的复杂程度。本文建立了一种基于共价色谱技术选择性分离富集含半胱氨酸肽的方法,从而降低了样品体系的复杂程度。首先以牛血清白蛋白(BSA)的酶切肽段为模型,对富集条件进行了优化和考察,并在此基础上通过5种蛋白质酶切肽段混合物的富集对该方法进行了验证。结果证明此方法的重现性好,富集效率高,富集特异性好,能有效地富集鉴定含半胱氨酸肽段。所建立的方法在复杂体系的蛋白质组研究中具有广泛的应用前景,为复杂样品的蛋白质高通量、自动化、规模化鉴定和定量研究提供了实用技术。 相似文献
97.
98.
三唑并噻二唑衍生物的合成及抑菌活性 总被引:1,自引:0,他引:1
为了寻找高活性农药先导化合物,考虑到三唑并噻二唑衍生物具有广泛的生物活性,本文利用活性亚结构拼接原理,将活性基团分别引入1,2,4-均三唑并[3,4-b]-1,3,4-噻二唑杂环的3位和6位,合成了未见文献报道的3,6-二取代均三唑并[3,4-b]-1,3,4-噻二唑类化合物11个,并用IR、1HNMR及元素分析测试技术对其进行了结构表征。抑菌活性生物测定结果表明,合成的大部分化合物对黄瓜灰霉病菌(Botrytis cinerea)均有较好的生长抑制作用,其中,化合物5ae、5ag和5bd的抑制率达到70%;化合物5ad、5cd、5ce的抑制率大于60%;5bd对水稻纹枯病菌(Pellicularia sasakii)抑制率大于60%,化合物5cg对西瓜炭疽病菌(Colletotrichum lagenarium)的抑制率为69%。 相似文献
99.
Abd Elgadir M Akanda MJ Ferdosh S Mehrnoush A Karim AA Noda T Sarker MZ 《Molecules (Basel, Switzerland)》2012,17(1):584-597
A binary mixture of starch-starch or starch with other biopolymers such as protein and non-starch polysaccharides could provide a new approach in producing starch-based food products. In the context of food processing, a specific adjustment in the rheological properties plays an important role in regulating production processing and optimizing the applicability, stability, and sensory of the final food products. This review examines various biopolymer mixtures based on starch and the influence of their interaction on physicochemical and rheological properties of the starch-based foods. It is evident that the physicochemical and rheological characteristics of the biopolymers mixture are highly dependent on the type of starch and other biopolymers that make them up mixing ratios, mixing procedure and presence of other food ingredients in the mixture. Understanding these properties will lead to improve the formulation of starch-based foods and minimize the need to resort to chemically modified starch. 相似文献
100.
Ong LG Abd-Aziz S Noraini S Karim MI Hassan MA 《Applied biochemistry and biotechnology》2004,118(1-3):73-79
The oil palm sector is one of the major plantation industries in Malaysia. Palm kernel cake is a byproduct of extracted palm
kernel oil. Mostly palm kernel cake is wasted or is mixed with other nutrients and used as animal feed, especially for ruminant
animals. Recently, palm kernel cake has been identified as an important ingredient for the formulation of animal feed, and
it is also exported especially to Europe, South Korea, and Japan. It can barely be consumed by nonruminant (monogastric) animals
owing to the high percentages of hemicellulose and cellulose contents. Palm kernel cake must undergo suitable pretreatment
in order to decrease the percentage of hemicellulose and cellulose. One of the methods employed in this study is fermentation
with microorganisms, particularly fungi, to partially degrade the hemicellulose and cellulose content. This work focused on
the production of enzymes by Aspergillus niger and profiling using palm kernel cake as carbon source. 相似文献