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11.
Qing-de Chen Xing-hai Shen 《高分子科学》2005,(6):635-642
In the UV-Vis spectra of pure light-scattering systems, there is an exponential relationship between absorbance and wavelength (A = Kλ^-n). Here, the exponent n is named as flocculation-coagulation parameter. In the present paper, the effects of different additives on the stability of poly(N,N'-methylenebisacrylamide-co-4-vinylpyridine) (poly(Bis-co-4-VP)) microgel dispersion were studied in detail via this parameter. The results showed that the stability of the dispersion mainly comes from the ionization of pyridine groups, making the microgel positively charged on its surface. This was confirmed by the measurement of Zeta potential and the result of conductometric titration. The result of fluorescence analysis indicated that the hydrophobicity in the microgels is enhanced with the increase in total 4-VP unit content. 相似文献
12.
von Niessen Wolfgang Cederbaum Lorenz S. Kraemer Wolfgang P. 《Theoretical chemistry accounts》1977,44(1):85-93
The vertical valence ionization potentials of cyclopropane, ethylene oxide and ethylene imine are calculated by a many-body Green's function method. For C3H6 the ordering of the ionization potentials is 2e(), 1e(), 2a1(), 1a2(), 1e(). The assignment of the 2a1 and the 1a2 ionization potentials which has been controversial is thus clarified. The ordering is in agreement with the result obtained via Koopmans' theorem. For ethylene oxide and ethylene imine Koopmans' theorem fails in predicting the correct order of ionic states. For C2H4O the ordering of the ionization potentials is 2b
1(), 4a
1, 1a
2(), 2b
2,3a
1, 1b
1(), 1b
2, 2a
1 and for C2H5N 6a, 5a, 3a, 2a, 4a, 3a, 1a, 2a. The agreement of the computed ionization potentials with the experimental values is very satisfactory. 相似文献
13.
Dr. E. L. Mehler 《Theoretical chemistry accounts》1974,35(1):17-32
A new method is proposed for calculating correlation effects in atomic and molecular systems. The basis of the method is the
formulation of a set of partial configuration expansions which yield directly variational orbital correlation corrections
which are appropriately summed in order to obtain an estimate of the total correlation energy. This method is applied to the
ground state of boron hydride and its cation at the equilibrium distance of BH. The results of the method are compared in
detail with independent electron pair results and second order CI results. It is further shown that multiple substitutions
are approximately accounted for in this method and the extent to which they are included is compared with other approximations.
Finally, three methods of increasing accuracy, aimed at reducing the necessary computational effort, are given for determining
the vertical ionization potential. The most economical method yields an IP of 9.70 eV or 0.03 eV less than the experimental
IP. Completion of the basis is estimated to improve this value to 9.77 eV. 相似文献
14.
At sufficiently high concentrations of methanol and of alkali salts in aqueous silica dispersions, the negative -potentials of the particles are decreased. This effect is more pronounced with lithium than with other alkali cations, and it is independent on the anion. The NMR spectra indicate lithium adsorption on silica from mixed solvents, but not in the absence of alcohol.Supported by a contract with the XMX Corporation, Burlington, Massachusetts, USA 相似文献
15.
The partial molal volumes of Li+, Na+, K+, Rb+, Cs+, Cl–, Br–, I–, and NO
3
-
in DMSO at 25°C have been determined from ultrasonic vibration potential data and density data for solutions of uni-univalent electrolytes. Hepler's semiemprirical equation has been used to split ionic partial molal volumes into geometric and electrostrictive contributions. The results obtained in this work confirm the conclusion of our previous studies, namely, that the contribution of electrostriction is essentially determined by the properties of that layer of atoms, 0.3 to 0.4 nm thick, in contact with the ion and by the degree of steric hindrance of the poles of the dipole of the solvent molecule. On the other hand, the geometric contribution depends on the size of the solvent molecule and also on the arrangement of the solvent molecules about the ions. It is shown that the geometric contribution to the partial molal volume of ions is largely increased when ions cannot come close enough to the poles of the solvent-molecule dipole, owing to steric hindrance. 相似文献
16.
This paper presents systematic investigation of the microchannel surface properties in microCE chips. Three popular materials for microCE chips, polydimethylsiloxane (PDMS), quartz, and glass, are used. The zeta potentials of these microchannels are calculated by measuring the EOF velocity to evaluate the surface properties after surface modification. The hydrophobic PDMS is usually plasma-treated for microCE applications. In this study, a new method using a high-throughput atmospheric plasma generator is adopted to treat the PDMS surface under atmospheric conditions. In this approach, the cost and time for surface treatment can be significantly reduced compared with the conventional vacuum plasma generator method. Experimental results indicate that new functional groups could be formed on the PDMS surface after treatment, resulting in a change in the surface property. The time-dependent surface property of the plasma-treated PDMS is then measured in terms of the zeta potential. Results show that the surface property will reach a stable condition after 1 h of plasma treatment. For glass CE chips, two new methods for changing the microchannel surface properties are developed. Instead of using complicated and time-consuming chemical silanization procedures for CE channel surface modification, two simple and reliable methods utilizing organic-based spin-on-glass and water-soluble acrylic resin are reported. The proposed method provides a fast batch process for controlling the surface properties of glass-based CE channels. The proposed methods are evaluated using PhiX-174 DNA maker separation. The experimental data show that the surface property is modified and separation efficiency greatly improved. In addition, the long-term stability of both coatings is verified in this study. The methods proposed in this study show potential as an excellent solution for glass-based microCE chip surface modification. 相似文献
17.
Carlos Ariel Gil-Barrera Raymundo Santana Carrillo Guo-Hua Sun Shi-Hai Dong 《Entropy (Basel, Switzerland)》2022,24(5)
In this work, we study the quantum information entropies for two different types of hyperbolic single potential wells. We first study the behaviors of the moving particle subject to two different hyperbolic potential wells through focusing on their wave functions. The shapes of these hyperbolic potentials are similar, but we notice that their momentum entropy densities change along with the width of each potential and the magnitude of position entropy density decreases when the momentum entropy magnitude increases. On the other hand, we illustrate the behaviors of their position and momentum entropy densities. Finally, we show the variation of position and momentum entropies and with the change of the potential well depth u and verify that their sum still satisfies the BBM inequality relation. 相似文献
18.
Giuseppe Caruso 《Molecules (Basel, Switzerland)》2022,27(10)
Carnosine (β-alanyl-L-histidine) is a naturally occurring endogenous dipeptide and an over-the-counter food supplement with a well-demonstrated multimodal mechanism of action that includes the detoxification of reactive oxygen and nitrogen species, the down-regulation of the production of pro-inflammatory mediators, the inhibition of aberrant protein formation, and the modulation of cells in the peripheral (macrophages) and brain (microglia) immune systems. Since its discovery more than 100 years ago, a plethora of in vivo preclinical studies have been carried out; however, there is still substantial heterogeneity regarding the route of administration, the dosage, the duration of the treatment, and the animal model selected, underlining the urgent need for “coordinated/aligned” preclinical studies laying the foundations for well-defined future clinical trials. The main aim of the present position paper is to critically and concisely consider these key points and open a discussion on the possible “alignment” for future studies, with the goal of validating the full therapeutic potential of this intriguing molecule. 相似文献
19.
ZHOU Bang-Rong 《理论物理通讯》2007,47(1):95-101
By means of a relativistic effective potential, we analytically research competition between the quark- antiquark condensates (qq) and the diquark condensates (qq) in vacuum in ground state of a two-flavor Nambu Jona Lasinio (NJL) model and obtain the Gs-Hs phase diagram, where Gs and Hs are the respective four-fermion coupling constants in scalar quark-antiquark channel and scalar color anti-triplet diquark channel. The results show that, in the chiral limit, there is only the pure (qq) phase when Gs/Hs 〉 2/3, and as Gs/Hs decreases to 2/3 〉 Gs/Hs ≥ 0 one will first have a coexistence phase of the condensates (qq) and (qq) and then a pure (qq) phase. In non-zero bare quark mass case, the critical value of Gs/Hs at which the pure (qq) phase will transfer to the coexistence phase of the condensates (qq) and (qq) will be less than 2/3. Our theoretical results, combined with present phenomenological fact that there is no diquark condensates in the vacuum of QCD, will also impose a real restriction to any given two-flavor NJL model which is intended to simulate QCD, i.e. in such model the resulting sma/lest ratio Gs/Hs after the Fierz transformations in the Hartree approximation must be larger than 2/3. A few phenomenological QCD-like NJL models are checked and analyzed. 相似文献
20.
JIN Cheng ZHOU Xiao-Xin ZHAO Song-Feng 《理论物理通讯》2007,47(1):119-126
The B-spline expansion technique is applied to study the anticrossings for potassium Rydberg states in a static electric field. The results of our calculation indicate that the antierossings are caused mainly by the core interaction or by the fine structure interaction. Our results for the positions and the widths of the anticrossings are in good agreement with experimental data. 相似文献