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61.
Adrián Schwarzenberg Farid Ichou Richard B. Cole Xavier Machuron‐Mandard Christophe Junot Denis Lesage Jean‐Claude Tabet 《Journal of mass spectrometry : JMS》2013,48(5):576-586
Organophosphorus compounds have played important roles as pesticides, chemical warfare agents and extractors of radioactive material. Structural elucidation of phosphonates poses a particular challenge because their initial forms can be hydrolyzed, thus, degradation products may predominate in samples acquired in the field. The analysis of non‐volatile organophosphorus compounds and their degradation products is possible using electrospray tandem mass spectrometry ESI‐MS/MS. Here, we present a generic strategy that allows the unambiguous identification of substituents for two families of organophosphorus compounds: the phosphonates and phosphates. General fragmentation rules were deduced based on the study of decomposition pathways of 55 organophosphorus esters, including examples found in the literature. Multistage MS (MSn) experiments at high resolution in a hybrid mass spectrometer provide accurate mass measurements, whereas collision‐induced dissociation experiments in a triple quadrupole give access to small fragment ions. The creation of a specific nomenclature for each possible structure of organophosphorus compound, depending on the alkyl side chain linked to the oxygen, was achieved by applying these fragmentation rules. This led to the creation of an ‘identification tree’ based upon the unique consecutive decomposition pathways uncovered for each individual compound. Hence, seven structural motifs were created that orient an unequivocal identification using the ‘identification tree’. Despite the similar structures of the ensemble of phosphate and phosphonate esters, distinct identifications based upon characteristic neutral losses and diagnostic fragment ions were possible in all cases. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
62.
化学分子图G的Randie指标为R(G)=∑wv(dG(u)dG(v))^2/1.其中uv是G的边,dG(u)表示的顶点u的度.本文刻画了具有最大Randie指标的k悬挂点化学树的一些性质. 相似文献
63.
Scenario Reduction Algorithms in Stochastic Programming 总被引:4,自引:0,他引:4
We consider convex stochastic programs with an (approximate) initial probability distribution P having finite support supp P, i.e., finitely many scenarios. The behaviour of such stochastic programs is stable with respect to perturbations of P measured in terms of a Fortet-Mourier probability metric. The problem of optimal scenario reduction consists in determining a probability measure that is supported by a subset of supp P of prescribed cardinality and is closest to P in terms of such a probability metric. Two new versions of forward and backward type algorithms are presented for computing such optimally reduced probability measures approximately. Compared to earlier versions, the computational performance (accuracy, running time) of the new algorithms has been improved considerably. Numerical experience is reported for different instances of scenario trees with computable optimal lower bounds. The test examples also include a ternary scenario tree representing the weekly electrical load process in a power management model. 相似文献
64.
一类T形树匹配唯一的充要条件 总被引:13,自引:2,他引:13
证明:若m∈Ze^ ,则T形树T(1,m,n)匹配唯一当且仅当n≠m,m 3,2m 5. 相似文献
65.
66.
给出了n阶树的Nordhaus-Gaddum类型谱半径即图及其补图的谱半径之和的可达上界:ρ(T) ρ(Tc)≤■ n-2,等号成立当且仅当T K1,n-1,其中Tc为T的补图,K1,n-1为n阶星图.同时证明了对于n阶双星图S(a,b)的Nordhaus-Gaddum类型谱半径随a的值单调上升,其中[n-1/2]≤a≤n-3. 相似文献
67.
《Discrete Mathematics》2023,346(1):113188
In this addendum we give a short and easy negative answer to the two questions raised in the original article. 相似文献
68.
The effect of a market factor on information flow between stocks using the minimal spanning tree 总被引:1,自引:0,他引:1
We empirically investigated the effects of market factors on the information flow created from N(N−1)/2 linkage relationships among stocks. We also examined the possibility of employing the minimal spanning tree (MST) method, which is capable of reducing the number of links to N−1. We determined that market factors carry important information value regarding information flow among stocks. Moreover, the information flow among stocks showed time-varying properties according to the changes in market status. In particular, we noted that the information flow increased dramatically during periods of market crises. Finally, we confirmed, via the MST method, that the information flow among stocks could be assessed effectively with the reduced linkage relationships among all links among stocks from the perspective of the overall market. 相似文献
69.
70.
We consider Schrödinger operators on radial metric trees and prove Lieb–Thirring and Cwikel–Lieb–Rozenblum inequalities for their negative eigenvalues. The validity of these inequalities depends on the volume growth of the tree. We show that the bounds are valid in the endpoint case and reflect the correct order in the weak or strong coupling limit. 相似文献