Classifying Rational G-Spectra for Finite G

We give a new proof that for a finite group G, the category of rational G-equivariant spectra is Quillen equivalent to the product of the model categories of chain complexes of modules over the rational group ring of the Weyl group of H in G, as H runs over the conjugacy classes of subgroups of G. Furthermore, the Quillen equivalences of our proof are all symmetric monoidal. Thus we can understand categories of algebras or modules over a ring spectrum in terms of the algebraic model.

A monoidal algebraic model for rational SO(2)-spectra

The category of rational SO(2)--equivariant spectra admits an algebraic model. That is, there is an abelian category A(SO(2)) whose derived category is equivalent to the homotopy category of rational$SO(2)--equivariant spectra. An important question is: does this algebraic model capture the smash product of spectra? The category A(SO(2)) is known as Greenlees' standard model, it is an abelian category that has no projective objects and is constructed from modules over a non--Noetherian ring. As a consequence, the standard techniques for constructing a monoidal model structure cannot be applied. In this paper a monoidal model structure on A(SO(2)) is constructed and the derived tensor product on the homotopy category is shown to be compatible with the smash product of spectra. The method used is related to techniques developed by the author in earlier joint work with Roitzheim. That work constructed a monoidal model structure on Franke's exotic model for the K_(p)--local stable homotopy category. A monoidal Quillen equivalence to a simpler monoidal model category that has explicit generating sets is also given. Having monoidal model structures on the two categories removes a serious obstruction to constructing a series of monoidal Quillen equivalences between the algebraic model and rational SO(2)--equivariant spectra.

Rational O(2)–Equivariant Spectra

The category of rational O(2)-equivariant cohomology theories has an algebraic model A(O(2)), as established by work of Greenlees. That is, there is an equivalence of categories between the homotopy category of rational O(2)-equivariant spectra and the derived category of the abelian model DA(O(2)). In this paper we lift this equivalence of homotopy categories to the level of Quillen equivalences of model categories. This Quillen equivalence is also compatible with the Adams short exact sequence of the algebraic model.

Phosphorylation Mechanism of Phosphomevalonate Kinase: Implications for Rational Engineering of Isoprenoid Biosynthetic Pathway Enzymes

Mevalonate pathway is of important clinical, pharmaceutical and biotechnological relevance. However, lack of the understanding of the phosphorylation mechanism of the kinases in this pathway has limited rationally engineering the kinases in industry. Here the phosphorylation reaction mechanism of a representative kinase in the mevalonate pathway, phosphomevalonate kinase, was studied by using molecular dynamics and hybrid QM/MM methods. We find that a conserved residue (Ser106) is reorientated to anchor ATP via a stable H-bond interaction. In addition, Ser213 located on the α-helix at the catalytic site is repositioned to further approach the substrate, facilitating the proton transfer during the phosphorylation. Furthermore, we elucidate that Lys101 functions to neutralize the negative charge developed at the β-, γ-bridging oxygen atom of ATP during phosphoryl transfer. We demonstrate that the dissociative catalytic reaction occurs via a direct phosphorylation pathway. This is the first study on the phosphorylation mechanism of a mevalonate pathway kinase. The elucidation of the catalytic mechanism not only sheds light on the common catalytic mechanism of GHMP kinase superfamily, but also provides the structural basis for engineering the mevalonate pathway kinases to further exploit their applications in the production of a wide range of fine chemicals such as biofuels or pharmaceuticals. 

Rational design of a (S)-selective-Transaminase for asymmetric synthesis of (1S)-1-(1,1'-biphenyl 2-yl)ethanamine

Amine transaminases offer an environmentally sustainable synthesis route for the production ofpure chiral amines. However, their catalytic efficiency towards bulky ketone substrates isgreatly limited by steric hindrance and therefore presents a great challenge for industrialsynthetic applications. Hereby we report an example of rational transaminase enzyme design tohelp alleviate these challenges. Starting from the Vibrio fluvialis amine transaminase that has nodetectable catalytic activity towards the bulky aromatic ketone 2-acetylbiphenyl, we employed arational design strategy combining in silico and in vitro studies to engineer the transaminaseenzyme with a minimal number of mutations, achieving an high catalytic activity and highenantioselectivity. We found that by introducing two mutations W57G/R415A detectableenzyme activity was achieved. The rationally designed best variant,W57F/R88H/V153S/K163F/I259M/R415A/V422A, showed an improvement in reaction rateby > 1716-fold towards the bulky ketone under study, producing the corresponding enantiomericpure (S)-amine (ee value of > 99%). 

Sustainable Catalysis : Rational Pd Loading on MIL-101Cr-NH2 for More Efficient and Recyclable Suzuki-Miyaura Reactions

Palladium nanoparticles have been immobilized into an amino-functionalized metal-organic framework (MOF), MIL-101Cr-NH2, to form Pd@MIL-101Cr-NH2. Four materials with different loadings of palladium have been prepared (denoted as 4-, 8-, 12-, and 16wt%Pd@MIL-101Cr-NH2). The effects of catalyst loading and the size and distribution of the Pd nanoparticles on the catalytic performance have been studied. The catalysts were characterized by using scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier-transform infrared (FTIR) spectroscopy, powder X-ray diffraction (PXRD), N-2-sorption isotherms, elemental analysis, and thermogravimetric analysis (TGA). To better characterize the palladium nanoparticles and their distribution in MIL-101Cr-NH2, electron tomography was employed to reconstruct the 3D volume of 8wt%Pd@MIL-101Cr-NH2 particles. The pair distribution functions (PDFs) of the samples were extracted from total scattering experiments using high-energy X-rays (60keV). The catalytic activity of the four MOF materials with different loadings of palladium nanoparticles was studied in the Suzuki-Miyaura cross-coupling reaction. The best catalytic performance was obtained with the MOF that contained 8wt% palladium nanoparticles. The metallic palladium nanoparticles were homogeneously distributed, with an average size of 2.6nm. Excellent yields were obtained for a wide scope of substrates under remarkably mild conditions (water, aerobic conditions, room temperature, catalyst loading as low as 0.15mol%). The material can be recycled at least 10times without alteration of its catalytic properties.

Development of a Rational Characterization Method for Iowa Fly Ash, HR-286, Annual Progress Report 1, 1986

The following report summarizes research activities on the project for the period December 1, 1985 through November 31, 1986. Research efforts for the first year have proceeded basically as outlined in the project proposal.

Development of a Rational Characterization Method for Iowa Fly Ash, HR-286, Annual Progress Report 2, 1987

The following report summarizes research activities on the project for the period December 1, 1986 to November 30, 1987. Research efforts for the second year deviated slightly from those described in the project proposal. By the end of the second year of testing, it was possible to begin evaluating how power plant operating conditions influenced the chemical and physical properties of fly ash obtained from one of the monitored power plants (Ottumwa Generating Station, OGS). Hence, several of the tasks initially assigned to the third year of the project (specifically tasks D, E, and F) were initiated during the second year of the project. Manpower constraints were balanced by delaying full scale implementation of the quantitative X-ray diffraction and differential thermal analysis tasks until the beginning of the third year of the project. Such changes should have little bearing on the outcome of the overall project.

Algebro-Geometric Aspects of the Classical Yang-Baxter Equation

In this thesis we consider algebro-geometric aspects of the Classical Yang-Baxter Equation and the Generalised Classical Yang-Baxter Equation. In chapter one we present a method to construct solutions of the Generalised Classical Yang-Baxter Equation starting with certain sheaves of Lie algebras on algebraic curves. Furthermore we discuss a criterion to check unitarity of such solutions. In chapter two we consider the special class of solutions coming from sheaves of traceless endomorphisms of simple vector bundles on the nodal cubic curve. These solutions are quasi-trigonometric and we describe how they fit into the classification scheme of such solutions. Moreover, we describe a concrete formula for these solutions. In the third and final chapter we show that any unitary, rational solution of the Classical Yang-Baxter Equation can be obtained via the method of chapter one applied to a sheaf of Lie algebras on the cuspidal cubic curve.

Updating Beliefs: Are economic agents inspired by rational action or according to ones hopes and fears?.

The purpose of this investigationwas to simulate a real life scenarioand explore the way economicagents update their beliefs. Do theyupdate according to what theyhope? Or do they update inspired byrational behavior?We mimicked the environment whicha recently high school graduate faceswhen entering college to see how astudent updates his beliefs in regardsto his classroom position. We examinedhow economic agents envisagethemselves through and through collegeand see if they update their beliefsabout a hypothesis A in the lightof new evidence B, or if they updatetheir beliefs subject to what theychoose they hope. In this sense weexplored the possibility of setting asidethe neoclassical assumption thatagents are anything more than hyperrational naïve optimizers acting on perfect (and in some cases, limited information)in order to turn back to anolder tradition in economic theory, thatis agents are recognizably human.

A signaling visualization toolkit to support rational design of combination therapies and biomarker discovery: SiViT

Targeted cancer therapy aims to disrupt aberrant cellular signalling pathways. Biomarkers are surrogates of pathway state, but there is limited success in translating candidate biomarkers to clinical practice due to the intrinsic complexity of pathway networks. Systems biology approaches afford better understanding of complex, dynamical interactions in signalling pathways targeted by anticancer drugs. However, adoption of dynamical modelling by clinicians and biologists is impeded by model inaccessibility. Drawing on computer games technology, we present a novel visualisation toolkit, SiViT, that converts systems biology models of cancer cell signalling into interactive simulations that can be used without specialist computational expertise. SiViT allows clinicians and biologists to directly introduce for example loss of function mutations and specific inhibitors. SiViT animates the effects of these introductions on pathway dynamics, suggesting further experiments and assessing candidate biomarker effectiveness. In a systems biology model of Her2 signalling we experimentally validated predictions using SiViT, revealing the dynamics of biomarkers of drug resistance and highlighting the role of pathway crosstalk. No model is ever complete: the iteration of real data and simulation facilitates continued evolution of more accurate, useful models. SiViT will make accessible libraries of models to support preclinical research, combinatorial strategy design and biomarker discovery.

From "Rational Utopia" to "Will-to-Utopia". On the "Post-modern" Turn in the Recent Work of Agnes Heller

Agnes Heller recently described her position as 'postmodernist', suggesting a move from a political radical to a politically liberal or 'neoconservative' position. The aim of this paper is to assess the degree to which Heller can still be regarded as a radical political thinker through an evaluation of her work on autonomy, democracy and contingency all of which remain key concepts in her thinking about the political. We find in each case that whilst many of the motifs of her critical Marxist period recur in her recent work, they are losing their oppositional or 'negative' character in the sense that making these motifs operational would require changes to the structure or functioning of liberal-capitalism. Whils remaining in some sense a radical thinker Heller has moved from the advocacy of a 'rational utopia' to a form of theorising which I describe as 'will-to-utopia': radical at the surface yet conservative at the core.

Moral Requirements are still not Rational Requirements

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