PubMed · 14031865
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L A KEMP. 1962. An ionization chamber as a current reference standard.. https://doi.org/10.1088/0031-9155%2F7%2F3%2F309
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A well-developed classical theory is available for constant-voltage electrical field flow fractionation (EFFF). Recent experimental research, however, has demonstrated that pulsed fields may enhance retention in some cases. A generalized mathematical approach is presented for the prediction of retention ratios for any field type, pulsed or constant. The methodology is applied and demonstrated for a square wave protocol. Complex concentration profiles arise wherein particles are focused either towards the walls or into the channel center. The computational results indicate that pulsation can either increase retention time or decrease retention time by manipulating the effective electric field and suggest that separation resolution may also be improved.
This study aimed to evaluate in silico models based on quantum chemical (QC) descriptors derived using the electronegativity equalization method (EEM) and to assess the use of QC properties to predict chemical metabolism by human UDP-glucuronosyltransferase (UGT) isoforms. Various EEM-derived QC molecular descriptors were calculated for known UGT substrates and nonsubstrates. Classification models were developed using support vector machine and partial least squares discriminant analysis. In general, the most predictive models were generated with the support vector machine. Combining QC and 2D descriptors (from previous work) using a consensus approach resulted in a statistically significant improvement in predictivity (to 84%) over both the QC and 2D models and the other methods of combining the descriptors. EEM-derived QC descriptors were shown to be both highly predictive and computationally efficient. It is likely that EEM-derived QC properties will be generally useful for predicting ADMET and physicochemical properties during drug discovery.
Impedance between the electrode inserted in a root canal of a human tooth and the outer electrode placed on the oral mucosa serves as a measure of the root canal length, a vital parameter necessary for efficient endodontic procedure in dentistry. For better understanding of current conduction through the tooth, the impedance has been measured on extracted teeth (in vitro) and further used to develop corresponding electrical lumped element models. For modeling the metal/solution interface and complex structure of the tooth, Fricke's constant phase elements are employed. More detailed insight into current conduction is given by numerical simulation. Numerical simulation demonstrates the influence on the impedance of several important parameters, such as dentin conductance, canal preparation, and solution conductance.