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2.
In this and subsequent papers we will show that several algorithms for the isotonic regression problem may be viewed as active set methods. The active set approach provides a unifying framework for studying algorithms for isotonic regression, simplifies the exposition of existing algorithms and leads to several new efficient algorithms. We also investigate the computational complexity of several algorithms.In this paper we consider the isotonic regression problem with respect to a complete order
where eachw
i
is strictly positive and eachy
i
is an arbitrary real number. We show that the Pool Adjacent Violators algorithm (due to Ayer et al., 1955; Miles, 1959; Kruskal, 1964), is a dual feasible active set method and that the Minimum Lower Set algorithm (due to Brunk et al., 1957) is a primal feasible active set method of computational complexity O(n
2). We present a new O(n) primal feasible active set algorithm. Finally we discuss Van Eeden's method and show that it is of worst-case exponential time complexity.This work was supported by the National Science and Engineering Research Council of Canada under Research Grant A8189 and an Ontario Graduate Scholarship. 相似文献
3.
C. Mahr H. Bergmann P. Zuman J. Sunkel K. -J. Range K. -H. König W. Schermann G. Manecke A. Sippel E. Best K. Hartl J. Volke H. Kübler P. Moritz H. H. Pfeiffer E. Knickmann H. Lüken 《Colloid and polymer science》1967,218(2):158-171
Ohne Zusammenfassung 相似文献
4.
E. Ühlein W. Scherman F. Asinger A. Warner P. Kratochvil G. Kirschstein H. Bergmann H. D. Cremer U. Grigull E. Schleitzer E. Best R. Honerjäger H. Schäfer K. -H. König A. Sippel Hj. Schönert W. Koch B. Frisch H. G. Kilian R. Hähnel H. H. Pfeiffer 《Colloid and polymer science》1966,213(1-2):157-174
Ohne Zusammenfassung 相似文献
5.
PHOTOSENSITIZING PROPERTIES OF BACTERIOCHLOROPHYLLIN a and BACTERIOCHLORIN a, TWO DERIVATIVES OF BACTERIOCHLOROPHYLL a 总被引:2,自引:0,他引:2
Eva M. Beems Tom M. A. R. Dubbelman Johan Lugtenburg Jaap A. van Best Monique F. M. A. Smeets J. Pierre J. Boegheim 《Photochemistry and photobiology》1987,46(5):639-643
Abstract The photosensitizing properties of two water soluble derivatives of bacteriochlorophyll a , bacteriochlorophyllin a and bacteriochlorin a (lacking the central Mg-ion) were investigated and compared to those of hematoporphyrin derivatives. At physiological pH the oxygen consumption rate of histidine, tryptophan, dithiothreitol and guanosine upon illumination was 3 to 4 times higher when bacteriochlorin a was used as photosensitizer than when hematoporphyrin derivatives were used. Especially bacteriochlorin a proved to be an effective sensitizer for the killing of L929 cells. Because bacteriochlorin a has an absorption maximum at 765 nm in phosphate buffered saline (allowing a light penetration in tissue about ten times larger than at 630 nm) and a high molar absorption coefficient (32 000 M cm−1 ) it has promising possibilities for the application in photodynamic therapy. 相似文献
6.
Grozema FC Best AS van Eijck L Stride J Kearley GJ de Leeuw SW Picken SJ 《The journal of physical chemistry. B》2005,109(16):7705-7712
Polyelectrolyte materials are an interesting class of electrolytes for use in fuel cell and battery applications. Poly(para-phenylene terephthalamide) (PPTA, Kevlar) is a liquid crystalline polymer that, when sulfonated, is a polyelectrolyte that exhibits moderate ion conductivity at elevated temperatures. In this work, quasi-elastic neutron scattering (QENS) experiments were performed to gain insight into the effect of the presence of lithium counterions on the chain dynamics in the material. It was found that the addition of lithium ions decreases the dynamics of the chains. Additionally, the binding of lithium ions to the sulfonic acids groups was investigated by density functional theory (DFT) calculations. It was found that the local surroundings of the sulfonic acid group have very little effect on the lithium-ion binding energy. Binding energies for a variety of different systems were all calculated to be around 150 kcal/mol. The DFT calculations also show the existence of a structure in which a single lithium ion interacts with two sulfonic acid moieties on different chains. The formation of such "electrostatic cross-links" is believed to be the source of the increased tendency to aggregate and the reduced dynamics in the presence of lithium ions. 相似文献
7.
Host 1 was designed and synthesized as a fluorescent sensor for 2,3-bisphosphoglycerate (BPG, 3). The design features a tris-functionalized triethylbenzene core to preorganize binding groups. The three cationic moieties, a tetra-N-oxide bipyridine-europium complex and two ammonium groups, were included to complement the three anionic functionalities on the guest. Beyond acting as a binding site, the europium complex was used to signal binding of the guest through modification of the charge transfer emission. A 1:1 complex with BPG was determined in 50 % methanol/acetonitrile with a K(a) of 6.7 x 10(5) mol(-1) by monitoring the reduction of the fluorescence signal upon guest addition. In the titration of related glycolytic intermediates lacking a second phosphate (4-6) into host 1, 2:1 host to guest binding was observed. Similarly, control compound 2, which lacks the ammonium groups, binds BPG and 4-6 in a 2:1 fashion. Also, phenylphosphate 7 binds to host 1 in a 1:1 stoichiometry with a K(a) over three times less than 3. 相似文献
8.
Ingkaninan K de Best CM van der Heijden R Hofte AJ Karabatak B Irth H Tjaden UR van der Greef J Verpoorte R 《Journal of chromatography. A》2000,872(1-2):61-73
A high-performance liquid chromatography (HPLC) method with on-line coupled ultraviolet (UV), mass spectrometry (MS) and biochemical detection for acetylcholinesterase (AChE) inhibitory activity has been developed. By combining the separation power of HPLC, the high selectivity of biochemical detection, and the ability to provide molecular mass and structural information of MS, AChE inhibitors can be rapidly identified. The biochemical detection was based on a colorimetric method using Ellman's reagent. The detection limit of galanthamine, an AChE inhibitor, in the HPLC-biochemical detection is 0.3 nmol. The three detector lines used, i.e., UV, MS and Vis for the biochemical detection were recorded simultaneously and the delay times of the peaks obtained were found to be consistent. This on-line post-column detection technique can be used for the identification of AChE inhibitors in plant extracts and other complex mixtures such as combinatorial libraries. 相似文献
9.
Jinchao Lou Xiaoyu Zhang Prof. Michael D. Best 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(1):20-25
Advancements in the field of liposomal drug carriers have culminated in greatly improved delivery properties. An important aspect of this work entails development of designer liposomes for release of contents triggered by environmental changes. The majority of these systems are driven by chemical reactions in the presence of different stimuli. However, a promising new paradigm instead focuses on molecular recognition events as the impetus for content release. In certain cases, these platforms exploit synthetic lipid switches designed to undergo conformational changes upon binding to target ions or molecules that perturb membrane assembly, thereby triggering cargo release. Examples of this approach reported thus far showcase how rational design of lipid switches can result in dramatic changes in lipid assembly properties. These strategies show great promise for opening up new pathophysiological stimuli that can be harnessed for programmed content release in drug delivery applications. 相似文献