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排序方式: 共有73条查询结果,搜索用时 15 毫秒
1.
Keng Lung Lee Joey Feld Dr. Paul Hume Prof. Tilo Söhnel Dr. Erin Leitao 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(2):815-824
A series of ammonium monosubstituted H-phosphonate salts were synthesized by combining H-phosphonate diesters with amines in the absence of solvent at 80 °C. Variation of the ester substituent and amine produced a range of ionic liquids with low melting points. The products and by-products were analyzed by spectroscopic and spectrometric techniques in order to get a better mechanistic picture of the dealkylation and formal dearylation observed. For dialkyl H-phosphonate diesters, (RO)2P(O)H (R=alkyl), the reaction proceeds via direct dealkylation with the reactivity increasing in the order R=iPr<Et<Me corresponding to DFT calculated activation enthalpies of 22.6, 20.8, and 17.9 kcal mol−1. For the diphenyl H-phosphonate diesters, (PhO)2P(O)H, the dearylation was found to proceed via phenol-assisted formation of a 5-coordinate intermediate, (PhO)3PH(OH), from which P(OPh)3 and water were eliminated. The presence of an equivalent of water then facilitated the formation of P(OH)2OPh and the amine, R'NH2, subsequently abstracted a proton from it to yield [(PhO)PH(O)O]-[R'NH3]+. 相似文献
2.
G. Kloos 《Crystal Research and Technology》1996,31(6):795-804
A simple relation is derived that links the hydrostatic coefficient of quadratic electrostriction with the volume compressibility and an expression involving the dielectric constant. The first part of the derivation is mainly macroscopic and applicable to dielectrics with cubic symmetry. Making use of the Born-Mayer potential, an expression of the derivative of the ionic polarizability with respect to volume is given in the second part. A negative sign of the hydrostatic coefficient is predicted for typical alkali halides. This result is in agreement with recent experimental findings reported in the literature, if the observed values are corrected for the influence of electrostatic stresses in an alternative way. 相似文献
3.
Jazer Jose H. Togonon Eugene A. Esparcia Jr. Prof. Julie Anne D. del Rosario Prof. Joey D. Ocon 《ChemistryOpen》2021,10(4):471-476
Biodegradable primary batteries, also known as transient batteries, are essential to realize autonomous biodegradable electronic devices with high performance and advanced functionality. In this work, magnesium, copper, iron, and zinc – metals that exist as trace elements in the human body – were tested as materials for biomedical transient electronic devices. Different full cell combinations of Mg and X (where X = Cu, Fe, and Zn and the anodized form of the metals) with phosphate buffered saline (PBS) as electrolyte were studied. To form the cathodes, metal foils were anodized galvanostatically at a current density of 2.0 mA cm−2 for 30 mins. Electrochemical measurements were then conducted for each electrode combination to evaluate full cell battery performance. Results showed that the Mg−Cuanodized chemistry has the highest power density at 0.99 mW/cm2. Nominal operating voltages of 1.26 V for the first 0.50 h and 0.63 V for the next 3.7 h were observed for Mg−Cuanodized which was discharged at a current density of 0.70 mA cm−2. Among the materials tested, Mg−Cuanodized exhibited the best discharge performance with an average specific capacity of 2.94 mAh cm−2, which is comparable to previous reports on transient batteries. 相似文献
4.
E. Martini H. Kämmerer H. Fasold F. Kloos M. Fleißner K. Dehnicke O. Fuchs 《Colloid and polymer science》1981,259(8):865-872
Ohne Zusammenfassung 相似文献
5.
Joey L. Methot Dawn M. Mampreian Bruce Adams Michael D. Altman 《Tetrahedron letters》2008,49(7):1155-1159
A reductive rearrangement of aminocyclopropanes is described for the synthesis of cis- or trans-fused bicyclic 1,2-diaminocyclobutanes. Ionization of a cyclic aminal using BF3·OEt2 induces rearrangement to a cyclobutyl iminium ion, which is subsequently reduced by Et3SiH. Substitution with allyltrimethylsilane allows carbon incorporation, giving a quaternary center. Silyloxy-substituted cyclopropanes rearrange rapidly to cyclobutanones which react with NaBH4 to provide 1,2-aminohydroxycyclobutanes. These aminals were generated by the reduction of a Boc-imide with DIBAL-H or LiBH4. 相似文献
6.
Gerhard Kloos 《Optics and Lasers in Engineering》1997,28(4):287-291
The design of a new measurement head for interferometric dilatometry is presented. It is shown how a double-path detection scheme can be implemented in a homodyne interferometer. Possible applications of the proposed instrument include the investigation of quadratic electrostriction and the inverse piezoelectric effect. 相似文献
7.
Juan Pablo Vielma Iain Dunning Joey Huchette Miles Lubin 《Mathematical Programming Computation》2017,9(3):369-418
In this paper we consider the use of extended formulations in LP-based algorithms for mixed integer conic quadratic programming (MICQP). Extended formulations have been used by Vielma et al. (INFORMS J Comput 20: 438–450, 2008) and Hijazi et al. (Comput Optim Appl 52: 537–558, 2012) to construct algorithms for MICQP that can provide a significant computational advantage. The first approach is based on an extended or lifted polyhedral relaxation of the Lorentz cone by Ben-Tal and Nemirovski (Math Oper Res 26(2): 193–205 2001) that is extremely economical, but whose approximation quality cannot be iteratively improved. The second is based on a lifted polyhedral relaxation of the euclidean ball that can be constructed using techniques introduced by Tawarmalani and Sahinidis (Math Programm 103(2): 225–249, 2005). This relaxation is less economical, but its approximation quality can be iteratively improved. Unfortunately, while the approach of Vielma, Ahmed and Nemhauser is applicable for general MICQP problems, the approach of Hijazi, Bonami and Ouorou can only be used for MICQP problems with convex quadratic constraints. In this paper we show how a homogenization procedure can be combined with the technique by Tawarmalani and Sahinidis to adapt the extended formulation used by Hijazi, Bonami and Ouorou to a class of conic mixed integer programming problems that include general MICQP problems. We then compare the effectiveness of this new extended formulation against traditional and extended formulation-based algorithms for MICQP. We find that this new formulation can be used to improve various LP-based algorithms. In particular, the formulation provides an easy-to-implement procedure that, in our benchmarks, significantly improved the performance of commercial MICQP solvers. 相似文献
8.
9.
The spinodal phase decomposition of an immiscible binary polymer blend system is investigated with numerical models in two-dimensional and three-dimensional (3D). The effect of the elastic energy is included. The mechanism of the evolution of the phase separation is studied and the characteristic length R(t) is shown to be proportional to t(13). In the case when the phase separation is directed by a heterogeneously functionalized substrate, the increase in the characteristic length is divided into two stages by a critical time. The R(t) approximately t(13) diagram can be fitted with a straight line in both the first and second stages. The slope of the fitting line significantly decreases after the critical time. The compatibility of the resulting pattern to the substrate pattern is also measured by a factor C(S). It is observed that there is also a critical time in the evolution of the compatibility for the cases with and without elastic energy. The critical time of C(S) is identical with the respective critical time of R(t). The lateral and vertical composition profiles functionalized substrate is observed with the 3D model. The difference mechanism of the cases with and without elastic energy is discussed. 相似文献
10.
Christopher T. Chantler Nicholas A. Rae M. Tauhidul Islam Stephen P. Best Joey Yeo Lucas F. Smale James Hester Narges Mohammadi Feng Wang 《Journal of synchrotron radiation》2012,19(2):145-158
Methods for the quantification of statistically valid measures of the uncertainties associated with X‐ray absorption fine structure (XAFS) data obtained from dilute solutions using fluorescence measurements are developed. Experimental data obtained from 10 mM solutions of the organometallic compound ferrocene, Fe(C5H5)2, are analysed within this framework and, following correction for various electronic and geometrical factors, give robust estimates of the standard errors of the individual measurements. The reliability of the refinement statistics of standard current XAFS structure approaches that do not include propagation of experimental uncertainties to assess subtle structural distortions is assessed in terms of refinements obtained for the staggered and eclipsed conformations of the C5H5 rings of ferrocene. Standard approaches (XFIT, IFEFFIT) give refinement statistics that appear to show strong, but opposite, preferences for the different conformations. Incorporation of experimental uncertainties into an IFEFFIT‐like analysis yield refinement statistics for the staggered and eclipsed forms of ferrocene which show a far more realistic preference for the eclipsed form which accurately reflects the reliability of the analysis. Moreover, the more strongly founded estimates of the refined parameter uncertainties allow more direct comparison with those obtained by other techniques. These XAFS‐based estimates of the bond distances have accuracies comparable with those obtained using single‐crystal diffraction techniques and are superior in terms of their use in comparisons of experimental and computed structures. 相似文献