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61.
Five different polyaniline salts have been prepared by chemical polymerization of aniline in aqueous solution of different acids. The polyaniline base was obtained from the corresponding polyaniline salt by dedoping using aqueous ammonium hydroxide solution. Electron paramagnetic, electronic absorption, infrared spectral and conductivity measurements have been performed on the polyaniline salts and polyaniline bases. This composition and the extent of dopant in polyaniline salt systems have been determined. There is no definite correlation between the conductivity and the stoichiometric ratio between the polyaniline base and the acid, and also the spin concentration. 相似文献
62.
9 氯甲基蒽 ( 1 )与 3 ,5 二甲氧基苄醇 ( 2 )在相转移催化剂存在下反应生成 9 ( 3 ,5 二甲氧基苄基氧甲基 )蒽 ( 3 ) .( 3 )的苯溶液在紫外光照射下发生蒽环与苯环间的分子内 [4π + 4π]光致环加成反应 ,定量地生成多环化合物 ( 4 ) .( 4 )在热的作用下发生逆反应 ,定量地转化成原料 ( 3 ) .这种光致可逆反应可应用于制备光开关材料 . 相似文献
63.
Paul W. Chun 《International journal of quantum chemistry》2001,85(6):697-712
This communication will demonstrate the existence of a thermodynamic molecular switch in the pairwise, sequence‐specific hydrophobic interaction of Ile–Ile, Leu–Ile, Val–Leu, or Ala–Leu over the temperature range of 273–333 K reported by Nemethy and Scheraga in 1962. Based on Chun's development of the Planck–Benzinger methodology, the change in inherent chemical bond energy at 0 K, ΔH°(T0), is 3.0 kcal mol?1 for Ile–Ile, 2.4 for Leu–Ile, 1.8 for Val–Leu, and 1.2 kcal mol?1 for Ala–Leu. The value of ΔH°(T0) decreases as the length of the hydrophobic side chain decreases. It is clear that the strength and stability of the hydrophobic interaction is determined by the packing density of the side chains, with Ala–Leu being the most stable. At 〈Tm〉, the thermal agitation energy, $\int^{T}_{0}\Delta Cp^{\circ}(T)\,dT$, is about five times greater than ΔH°(T0) in each case. Additionally, the thermal agitation energy for the same series, evaluated at 〈Tm〉, decreases in the same order, that is, as the length of the side chain decreases. This pairwise, sequence‐specific hydrophobic interaction is highly similar in its thermodynamic behavior to that of other biological systems, except that the negative Gibbs free energy change minimum at 〈Ts〉 occurs at a considerably higher temperature, 355 K compared to about 300 K. The melting temperature, 〈Tm〉, is also high, 470 K compared to 343 K in a biological system. The implication is that the negative Gibbs free energy minimum at a well‐defined 〈Ts〉 has it origin in the hydrophobic interactions, which are highly dependent on details of molecular structure. In addition to the four specific dipeptide interactions described, we have shown in our unpublished work the existence of a thermodynamic molecular switch in the interactions of 32 dipeptides wherein a change of sign in ΔCp°(T)reaction leads to a true negative minimum in the Gibbs free energy of reaction, and hence, a maximum in the related Keq. Indeed, all interacting biological systems that we have thus far examined using the Planck–Benzinger approach point to the universality of thermodynamic molecular switches. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001 相似文献
64.
本文提出了一种由神经元网络与线性自适应滤波器组成的集成滤波器的实现方法,用于谱图信号除噪处理。 相似文献
65.
Liliana Cseh Carol Csunderlik Ingo Pantenburg Gerd Meyer Otilia Costisor 《无机化学与普通化学杂志》2003,629(6):985-988
The complex Co(C14H13NO)2Cl2 with the protonated N‐salicylidene‐p‐toluidine ligand was synthesized from an ethanolic solution of CoCl2·6H2O and N‐salicylidene‐p‐toluidine. The crystal structure was determined from X‐ray single crystal data (monoclinic, space group Cc, a = 1496.2(3) pm, b = 1257.4(4) pm, c = 1544.6(3) pm, β = 115.01(1)°, Z = 4). Co2+ adopts a distorted tetrahedral geometry. The UV‐Vis and IR spectra of the complex are discussed. 相似文献
66.
Novel furo, thieno and pyrrolo[2,3‐b]pyrazole cyanine dyes were synthesized. The structure‐photosensitization properties correlation of the dyes were examined in 95% ethanol solution by absorption spectroscopy. The chemical structure of the starting biheterocyclic compounds and their derived cyanine dyes were confirmed by elemental analysis, IR and 1H NMR spectroscopy. 相似文献
67.
M Trætteberg L.S KhaikinO.E Grikina S.I KozhushkovA de Meijere 《Journal of Molecular Structure》2002,641(1):41-60
The molecular structure of 1,1-bis(trimethylsilylethynyl)cyclopropane has been studied by the gas electron diffraction method, by vibrational spectroscopic methods and by ab initio calculations at the RHF and MP2 levels. A scaled quantum-chemical force field was used for band assignment in the experimental IR (4000-100 cm−1) and Raman (4000-200 cm−1) spectra. The root-mean-square vibrational amplitudes and harmonic shrinkage corrections were calculated taking into account non-linear relations between Cartesian and internal vibrational coordinates at the level of first-order perturbation theory (h1) and with the use of the traditional scheme (h0). 相似文献
68.
《Operations Research Letters》2022,50(1):1-7
Fisher linear discriminant analysis is a well-known technique for dimensionality reduction and classification. The method was first formulated in 1936 by Fisher. In this paper we concentrate on three different formulations of the multi-dimensional problem. We provide a mathematical explanation why two of the formulations are equivalent and prove that this equivalency can be extended to a broader class of objective functions. The second contribution is a rate of convergence of a fixed point method for solving the third model. 相似文献
69.
本文利用电感耦合等离子体原子发射光谱多色仪的扫描功能,用卡尔曼滤波法对各种光谱干扰进行校正。结果表明,该法能处理各种类型光谱干扰,不需要样品基体匹配,其测定回收率明显优于在峰法和离峰法,具有简便、准确等优点。 相似文献
70.
偏最小二乘法在原子吸收光谱分析中的应用——钴和铟的同时测定 总被引:4,自引:1,他引:3
本文用偏最小二乘法(PLS)校正了火焰原子吸收分析In252.137nm对Co252.136nm的吸收线重叠干扰,对混合样中Co和In的含量进行了测定,结果令人满意。 相似文献