Hecke algebras at roots of unity and crystal bases of quantum affine algebras

We present a fast algorithm for computing the global crystal basis of the basic -module. This algorithm is based on combinatorial techniques which have been developed for dealing with modular representations of symmetric groups, and more generally with representations of Hecke algebras of typeA at roots of unity. We conjecture that, upon specializationq1, our algorithm computes the decomposition matrices of all Hecke algebras at an ^th root of 1.Partially supported by PRC Math-Info and EEC grant n⁰ ERBCHRXCT930400.     

An Integrated Framework for Generating and Revising Factory Schedules

Practical solutions to the production scheduling problem must provide two broad capabilities:

1. i)
   an ability to efficiently generate schedules that reflect the actual constraints and objectives of the manufacturing environment, and
    
2. ii)
   an ability to incrementally revise these schedules over time in response to unexpected executional circumstances. In this paper, we advocate a common view of predictive and reactive scheduling as an incremental problem solving process that is opportunistically focused by characteristics of the current solution constraints.
    

We describe the architecture of OPIS (opportunistic intelligent scheduler), which defines a general framework for configuring scheduling systems according to this view. We then examine the scheduling knowledge (e.g. analysis and scheduling methods, schedule generation or revision strategies) that is exploited within this architecture by the current OPIS scheduler. Experimental studies with the OPIS scheduler have demonstrated the potential of this constraint-directed scheduling methodology in both predictive and reactive scheduling contexts.     

功能化聚(2,5-二甲氧基苯胺)膜的电化学和电催化性质研究

聚(2，5-二甲氧基苯胺)含有对称的环取代基，其电化学活性可与PAni相比拟．该聚合物具有三种氧化态，即完全还原态(L)、半氧化态(E)和完全氧化态(P)，在伏安曲线上分别于0．19和0．51V处出现L／E和E／P转变峰．掺杂态聚合物和本征态聚合物的氧化还原分别经历L=EH=P和LH=EH=P路径，其中E／P转变峰电位随pH升高而发生负移．铂化的聚合物电极对异丙醇的氧化具有明显的催化作用，且随着扫描时间延长，氧化电流逐渐提高；聚合物与铂微粒相互作用，改变铂微粒的几何结构和电子性质，使催化体系具有良好的催化活性和抗中毒能力．在pH=4．7的缓冲溶液中，该修饰电极对异丙醇氧化仍具有催化活性．聚合物在空气中存放太久(3年)会发生降解，从而影响其电化学性质．     

Assessment of docking poses: interactions-based accuracy classification (IBAC) versus crystal structure deviations

Six docking programs (FlexX, GOLD, ICM, LigandFit, the Northwestern University version of DOCK, and QXP) were evaluated in terms of their ability to reproduce experimentally observed binding modes (poses) of small-molecule ligands to macromolecular targets. The accuracy of a pose was assessed in two ways: First, the RMS deviation of the predicted pose from the crystal structure was calculated. Second, the predicted pose was compared to the experimentally observed one regarding the presence of key interactions with the protein. The latter assessment is referred to as interactions-based accuracy classification (IBAC). In a number of cases significant discrepancies were found between IBAC and RMSD-based classifications. Despite being more subjective, the IBAC proved to be a more meaningful measure of docking accuracy in all these cases.     

Unusual schmidt rearrangement of 7,7a,8,9,10,12-hexahydro benzo[h]pyrrolo[1,2-b]-isoquinoline-7,10-dione

The reaction of 7,7a,8,9,10,12-hexahydrobenzo[h]pyrrolo [1,2-b]isoquinoline-7,10-dione 2 with sodium azide in sulfuric acid afforded the unexpected cyano derivative 5 . The proposed structure for 5 is supported by ¹³C nmr, ¹H nmr and HMBC spectra.     

Phenol derivatized hexahydropyrimidines prepared from Mannich condensations

Six new phenol derivatized hexahydropyrimidines (1,3-bis-(2-hydroxy-3,5-di(X)benzyl) hexahydropyrimidine and 5,5′-dimethyl-1,3-bis-(2-hydroxy-3,5-di(X)benzyl) hexahydropyrimidine where X = Me, t-Bu, and Cl) were synthesized in one-pot in 33-79% yield using Mannich condensations.     

Dilute sulfuric acid hydrolysis of biomass for ethanol production

A series of pilot plant experiments have been conducted to compare the performance of a system utilizing two percolation reactors in series to a single reactor system. Although theoretically capable of producing higher glucose yields or concentrations, the two-reactor system concentrations were approximately the same and the yields were considerably lower than those from the single reactor study. An associated kinetics study found the glucose degradation kinetics to be accelerated by chromium ions, but this effect was greatly reduced in the presence of wood. The presence of metal surfaces also increased the rate of degradation even without large ion concentrations. The poor performance of the reactor system is proposed to be caused by intraparticle glucose diffusion effects and the catalytic effect on glucose degradation reactions of chromium ions from the corrosion of stainless steel by the acid. Strategies for reducing the effects of these phenomena on PBR performance are presented.

     

Synthesis, photonic characteristics, and mesomorphism of an oligo biphenylene vinylene pi-electron system

[reaction: see text] The synthesis and photonic and liquid-crystalline properties of a novel oligo biphenylene vinylene (OBV) chromophore with an extended pi-electron system are reported; the compound exhibits high fluorescence, a large two-photon absorption cross-section, and two- and three-dimensional liquid-crystalline mesophases.     

Electronic spectroscopy of para-fluorotoluene clusters

We report (1 + 1) resonance-enhanced multiphoton ionization spectra for clusters of para-fluorotoluene (pFT)_n (n = 1–11). After n = 2, the spectra appear to have converged in appearance, suggestive of a dimer chromophore, with weak bonding for subsequent additions of pFT molecules. The spectra also indicate dramatic, vibrational-mode-sensitive changes of oscillator strength between the monomer and the clusters. We also briefly describe the results of probing different parts of the expansion, and varying the laser power.