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51.
Maykel Cruz-Monteagudo Cristian Robert Munteanu Fernanda Borges Eugenio Uriarte Humberto González-Díaz 《Polymer》2008,49(25):5575-5587
The Quantitative Structure-Property Relationships (QSPRs) based on Graph or Network Theory are important for predicting the properties of polymeric systems. In the three previous papers of this series (Polymer 45 (2004) 3845-3853; Polymer 46 (2005) 2791-2798; and Polymer 46 (2005) 6461-6473) we focused on the uses of molecular graph parameters called topological indices (TIs) to link the structure of polymers with their biological properties. However, there has been little effort to extend these TIs to the study of complex mixtures of artificial polymers or biopolymers such as nucleic acids and proteins. In this sense, Blood Proteome (BP) is one of the most important and complex mixtures containing protein polymers. For instance, outcomes obtained by Mass Spectrometry (MS) analysis of BP are very useful for the early detection of diseases and drug-induced toxicities. Here, we use two Spiral and Star Network representations of the MS outcomes and defined a new type of TIs. The new TIs introduced here are the spectral moments (πk) of the stochastic matrix associated to the Spiral graph and describe non-linear relationships between the different regions of the MS characteristic of BP. We used the MARCH-INSIDE approach to calculate the πk(SN) of different BP samples and S2SNet to determine several Star graph TIs. In the second step, we develop the corresponding Quantitative Proteome-Property Relationship (QPPR) models using the Linear Discriminant Analysis (LDA). QPPRs are the analogues of QSPRs in the case of complex biopolymer mixtures. Specifically, the new QPPRs derived here may be used to detect drug-induced cardiac toxicities from BP samples. Different Machine Learning classification algorithms were used to fit the QPPRs based on πk(SN), showing J48 decision tree classifier to have the best performance. These results suggest that the present approach captures important features of the complex biopolymers mixtures and opens new opportunities to the application of the idea supporting classic QSPRs in polymer sciences. 相似文献
52.
Robert Cravotta 《电子设计技术》2006,13(9):80-80,82-84,86
新的特性必须更加智能,在增加价值的同时不会分散驾驶者的注意力和增加事故的风险。 相似文献
53.
Joel P. Martin J. Edward Swan II Robert J. Moorhead II Zhanping Liu Shangshu Cai 《Computer Graphics Forum》2008,27(3):991-998
We present the results from a user study looking at the ability of observers to mentally integrate wind direction and magnitude over a vector field. The data set chosen for the study is an MM5 (PSU/NCAR Mesoscale Model) simulation of Hurricane Lili over the Gulf of Mexico as it approaches the southeastern United States. Nine observers participated in the study. This study investigates the effect of layering on the observer's ability to determine the magnitude and direction of a vector field. We found a tendency for observers to underestimate the magnitude of the vectors and a counter‐clockwise bias when determining the average direction of a vector field. We completed an additional study with two observers to try to uncover the source of the counter‐clockwise bias. These results have direct implications to atmospheric scientists, but may also be able to be applied to other fields that use 2D vector fields. 相似文献
54.
55.
The changes in surface composition of metallic alloys caused by segregation can be very efficiently studied by low-energy ion scattering (LEIS) due to the specific surface sensitivity of this technique. Investigations of single-crystal surfaces of ordered alloys are of particular interest because they provide the possibility to investigate the interplay between segregation effects and the order-disorder phase transition when passing through the transition temperature. Exemplifying these effects for bimetallic alloys we consider in particular the CuAu-system.For the quantitative interpretation of energy and angle resolved LEIS intensity distributions we compare experimental results with those from numerical simulations using the MARLOWE code which we extended with a detailed trajectory analysis. This allows us to apply various discrimination criteria, such as number of collisions, distance of closest approach, identification of the scattering crystal layer, total path length, etc. On this basis structural effects, ion survival probabilities and the influence of thermal vibrations can be studied.We demonstrate this potential by using CuAu(1 0 0) as a special example. The scattering potential parameters were calibrated with elemental single crystals of known structures and the anisotropic Debye temperatures taken from the literature showed good agreement, neutralization was of minor importance in this case. Our procedure could be successfully used for the quantitative analysis of the composition of the first and second layer as a function of temperature. These results are in good agreement with theoretical predictions. 相似文献
56.
This paper describesMicroScope, a framework for developing analysis tools for Lisp programs. MicroScope uses a knowledge-intensive approach for program representation and analysis. The analysis tools share a common object oriented program database, and a common Prolog inference engine. The use of Prolog and a declarative representation for programs permits sharing of information, and provides high bandwidth communication between diverse analysis tools. It also supports program specification and debugging activities in the same framework. Extensions to Prolog to support analysis are described, and two tools, theCritic and theExpector, are presented.This work supported in part by Hewlett-Packard Company, the National Science foundation Under Grant Number MCS81-21750 and the Defense Advanced Research Projects Agency under contract number DAAK11-84-K-0017. 相似文献
57.
Several N-(phosphonomethyl) amides have previously been reported to act as particularly effective flame retardants for cellulose. It has also been demonstrated previously that the efficiency of a flame retardant on cellulose frequently parallels its ability to phosphorylate cellulosic hydroxyls at elevated temperatures. This study of the hydrolysis and alcoholysis reactions of N-(phosphonomethyl) amides establishes their unique reactivity. An explanation for this high reactivity is proposed on the basis of intramolecular assistance of the attack of water or alcohols at phosphorus by the carbonyl oxygen of the amide moiety. 相似文献
58.
A revision algorithm is a learning algorithm that identifies the target concept, starting from an initial concept. Such an algorithm is considered efficient if its complexity (in terms of the resource one is interested in) is polynomial in the syntactic distance between the initial and the target concept, but only polylogarithmic in the number of variables in the universe. We give an efficient revision algorithm in the model of learning with equivalence and membership queries for threshold functions, and some negative results showing, for instance, that threshold functions cannot be revised efficiently from either type of query alone. The algorithms work in a general revision model where both deletion and addition type revision operators are allowed. 相似文献
59.
60.
Lash Steven J.; Stephens Robert S.; Burden Jennifer L.; Grambow Steven C.; DeMarce Josephine M.; Jones Mark E.; Lozano Brian E.; Jeffreys Amy S.; Fearer Stephanie A.; Horner Ronnie D. 《Canadian Metallurgical Quarterly》2007,21(3):387
Although continuing care is strongly related to positive treatment outcomes for substance use disorder (SUD), participation rates are low and few effective interventions are available. In a randomized clinical trial with 150 participants (97% men), 75 graduates of a residential Veterans Affairs Medical Center SUD program who received an aftercare contract, attendance prompts, and reinforcers (CPR) were compared to 75 graduates who received standard treatment (STX). Among CPR participants, 55% completed at least 3 months of aftercare, compared to 36% in STX. Similarly, CPR participants remained in treatment longer than those in STX (5.5 vs. 4.4 months). Additionally, CPR participants were more likely to be abstinent compared to STX (57% vs. 37%) after 1 year. The CPR intervention offers a practical means to improve adherence among individuals in SUD treatment. (PsycINFO Database Record (c) 2010 APA, all rights reserved) 相似文献