Alternative formulations of a combined trip generation,trip distribution,modal split,and trip assignment model

The traditional four-step model has been widely used in travel demand forecasting by considering trip generation, trip distribution, modal split and traffic assignment sequentially in a fixed order. However, this sequential approach suffers from the inconsistency among the level-of-service and flow values in each step of the procedure. In the last two decades, this problem has been addressed by many researchers who have sought to develop combined (or integrated) models that can consider travelers’ choice on different stages simultaneously and give consistent results. In this paper, alternative formulations, including mathematical programming (MP) formulation and variational inequality (VI) formulations, are provided for a combined travel demand model that integrates trip generation, trip distribution, modal split, and traffic assignment using the random utility theory framework. Thus, the proposed alternative formulations not only allow a systematic and consistent treatment of travel choice over different dimensions but also have behavioral richness. Qualitative properties of the formulations are also given to ensure the existence and uniqueness of the solution. Particularly, the model is analyzed for a special but useful case where the probabilistic travel choices are assumed to be a hierarchical logit model. Furthermore, a self-adaptive Goldstein–Levitin–Polyak (GLP) projection algorithm is adopted for solving this special case.     

An argument-based approach to reasoning with clinical knowledge

Better use of biomedical knowledge is an increasingly pressing concern for tackling challenging diseases and for generally improving the quality of healthcare. The quantity of biomedical knowledge is enormous and it is rapidly increasing. Furthermore, in many areas it is incomplete and inconsistent. The development of techniques for representing and reasoning with biomedical knowledge is therefore a timely and potentially valuable goal. In this paper, we focus on an important and common type of biomedical knowledge that has been obtained from clinical trials and studies. We aim for (1) a simple language for representing the results of clinical trials and studies; (2) transparent reasoning with that knowledge that is intuitive and understandable to users; and (3) simple computation mechanisms with this knowledge in order to facilitate the development of viable implementations. Our approach is to propose a logical language that is tailored to the needs of representing and reasoning with the results of clinical trials and studies. Using this logical language, we generate arguments and counterarguments for the relative merits of treatments. In this way, the incompleteness and inconsistency in the knowledge is analysed via argumentation. In addition to motivating and formalising the logical and argumentation aspects of the framework, we provide algorithms and computational complexity results.     

Primitive divisors of some Lehmer-Pierce sequences

We study primitive prime divisors of the terms of Δ(u)=(Δn(u))_n?1, where Δn(u)=NK/Q(un−1) for K a real quadratic field, and u a unit element of its ring of integers. The methods used allow us to find the terms of the sequence that do not have a primitive prime divisor.     

The admissibility of sporadic simple groups

In 1955 Hall and Paige conjectured that a finite group is admissible, i.e., admits complete mappings, if its Sylow 2-subgroup is trivial or noncyclic. In a recent paper, Wilcox proved that any minimal counterexample to this conjecture must be simple, and further, must be either the Tits group or a sporadic simple group. In this paper we improve on this result by proving that the fourth Janko group is the only possible minimal counterexample to this conjecture: John Bray reports having proved that this group is also not a counterexample, thus completing a proof of the Hall–Paige conjecture.     

An application of Tutte’s Theorem to 1-factorization of regular graphs of high degree

A well known conjecture in graph theory states that every regular graph of even order 2n and degree λ(2n), where λ≥1/2, is 1-factorizable. Chetwynd and Hilton [A.G. Chetwynd, A.J.W. Hilton, 1-factorizing regular graphs of high degree — An improved bound, Discrete Math. 75 (1989) 103-112] and, independently, Niessen and Volkmann [T. Niessen, L. Volkmann, Class 1 conditions depending on the minimum degree and the number of vertices of maximum degree, J. Graph Theory (2) 14 (1990) 225-246] proved the above conjecture under the assumption that . Since these results were published no significant or even partial improvement has been made in terms of lowering the bound on λ. We shall obtain here a partial improvement on λ. Specifically, using the original Chetwynd-Hilton approach and Tutte’s 1-Factor Theorem, we show that the above bound can be improved to , apart (possibly) from two families of exceptional cases. We then show, under the stronger assumption that λ≥λ^∗≈0.785, that one of the two families of exceptional cases cannot occur.     

NO-releasing zeolites and their antithrombotic properties

Transition metal-exchanged zeolite-A adsorbs and stores nitric oxide in relatively high capacity (up to 1 mmol of NO/g of zeolite). The stored NO is released on contact with an aqueous environment under biologically relevant conditions of temperature and pH. The release of the NO can be tuned by altering the chemical composition of the zeolite, by controlling the amount of water contacting the zeolite, and by blending the zeolite with different polymers. The high capacity of zeolite for NO makes it extremely attractive for use in biological and medical applications, and our experiments indicate that the NO released from Co-exchanged zeolite-A inhibits platelet aggregation and adhesion of human platelets in vitro.     

Streamlined sample preparation procedure for determination of perchlorate anion in foods by ion chromatography-tandem mass spectrometry

A rapid, sensitive, and specific method was developed for the determination of perchlorate anion in foods. The foods included high moisture fruits and vegetables, low moisture foods (e.g. wheat flour and corn meal), and infant foods. Improvements to existing procedures were made in sample preparation that reduced sample test portion size from 100 to 5 or 10 g, extraction solvent volume from 150 to 20-40 ml, and replaced blending extraction-vacuum filtration and their associated large glassware with a simple shakeout-centrifugation in a small conical tube. Procedures common to all matrices involved: extraction, centrifugation, graphitized carbon solid phase extraction (SPE) cleanup, and ion chromatography-tandem mass spectrometry (IC-MS/MS) analysis. A Waters IC-Pak Anion HR column (4.6 mm × 75 mm) was eluted with 100 mM ammonium acetate in 50:50 (v/v) acetonitrile/water mobile phase at a rate of 0.35 ml/min. A triple stage quadrupole mass spectrometer, equipped with electrospray ionization (ESI) in the negative ion mode, was used to detect perchlorate anion. An ¹⁸O₄-labeled perchlorate anion internal standard was used to correct for any matrix effects. The method limit of quantitation (LOQ) was: 1.0 μg/kg in fruits, vegetables, and infant foods; 3.0 μg/kg in dry products. Fortified test portions gave 80-120% recoveries. Determination of incurred perchlorate anion residues agreed well with results for comparable commodities or products analyzed by published methods.     

Bidentate phosphorus baskets by intramolecular phosphinidene addition

Intramolecular phosphinidene addition to the C==C bond of Mo-complexed, seven-membered phosphorus heterocycles affords three novel [(diphos)Mo(CO)(4)] complexes (18-20). The three bidentate phosphorus baskets differ in the composition of the seven-membered ring: one of the phosphorus atoms is flanked by CH(2), NCH(3), or O. The unsaturated tetrahydrophosphepine precursors are synthesized by either ring-closing metathesis (C and N derivatives) or by a cyclization sequence (O derivative). The crystal structures of the nitrogen- (19) and oxygen-containing (20) baskets have relatively small P-Mo-P angles of 76.240(13) degrees and 77.626(12) degrees , respectively, and complex 20 has slightly shortened Mo--P bond lengths.     

Generation of end-group information from polyethers by matrix-assisted laser desorption/ionisation collision-induced dissociation mass spectrometry

A series of polyethers, namely poly(ethylene glycol) (PEG), poly(propylene glycol) (PPG), poly(butylene glycol) (PBG) and poly(tetramethylene glycol) (PTMeG), has been characterised by means of matrix-assisted laser desorption/ionisation collision-induced dissociation (MALDI-CID) using a hybrid sector orthogonal-time-of-flight (TOF) instrument. The data indicate that this technique can be used to generate information about the end-group functionality of these polymers, including in some cases information about branching of the alkyl chains of the initiating groups. Proposals are made for the fragmentation pathways for these polymers.     

Building up key segments of N-glycans in the gas phase: intrinsic structural preferences of the alpha(1,3) and alpha(1,6) dimannosides

The intrinsic conformer specific vibrational spectra of two important subunits of the core pentasaccharide of N-linked glycans, the alpha(1,3) and alpha(1,6) dimannosides, have been recorded in the gas phase. Coupling these measurements with a computational exploration of their conformational landscapes has enabled their conformational assignment and has identified characteristic vibrational signatures associated with particular conformational families-including those that do or do not display inter-ring hydrogen bonding across the glycosidic linkage. In addition, the IR spectra of the monosaccharide moieties provide benchmarks, through which the conformational assignments can be refined. This introduces a general concept of modularity and secondary structure in oligosaccharides--essential for the success of similar studies on larger oligosaccharides in the future.