A Suzuki Coupling Based Route to 2,2'-Bis(2-indenyl)biphenyl Derivatives

Because of the promising performance in olefin polymerization of 2,2'-bis(2-indenyldiyl)biphenyl zirconium dichloride, we developed a new and broadly applicable route to 2,2'-bis(2-indenyl)biphenyl derivatives. Reaction of the known 2,2'-diiodobiphenyl with the new 2-indenyl boronic acid did not result in the desired 2,2'-bis(2-indenyl)biphenyl (10); instead an isomer thereof, (spiro-1,1-(2,2'-biphenyl)-2-(2-indenyl)indane), was obtained. It was found that compound 10 could be made via a palladium-catalyzed reaction of 2,2-biphenyldiboronic acid with 2-bromoindene under standard Suzuki reaction conditions. However, the yield of this reaction was low at low palladium catalyst loadings, due to a competitive hydrolysis reaction of 2,2-biphenyldiboronic acid. HTE techniques were used to find an economically viable protocol. Thus, use of the commercially available 1.0 molar solution of (n-Bu)4NOH in methanol with cosolvent toluene led to precipitation of the pure product in a fast and clean reaction, using only 0.7 mol % (0.35 mol % per C-C) of the expensive palladium catalyst.

Deconjugation Kinetics of Glucuronidated Phase II Flavonoid Metabolites by B-glucuronidase from Neutrophils

Flavonoids are inactivated by phase II metabolism and occur in the body as glucuronides. Mammalian ß-glucuronidase released from neutrophils at inflammatory sites may be able to deconjugate and thus activate flavonoid glucuronides. We have studied deconjugation kinetics and pH optimum for four sources of ß-glucuronidase (human neutrophil, human recombinant, myeloid PLB-985 cells, Helix pomatia) with five flavonoid glucuronides (quercetin-3-glucuronide, quercetin-3'-glucuronide, quercetin-4'-glucuronide, quercetin-7-glucuronide, 3'-methylquercetin-3-glucuronide), 4-methylumbelliferyl-ß-D-glucuronide, and para-nitrophenol-glucuronide. All substrate-enzyme combinations tested exhibited first order kinetics. The optimum pH for hydrolysis was between 3.5-5, with appreciable hydrolysis activities up to pH 5.5. At pH 4, the Km ranged 44-fold from 22 µM for quercetin-4'-glucuronide with Helix pomatia ß-glucuronidase, to 981 µM for para-nitrophenol-glucuronide with recombinant ß-glucuronidase. Vmax (range: 0.735-24.012 µmol·min-1·unit-1 [1 unit is defined as the release of 1 µM 4-methylumbelliferyl-ß-D-glucuronide per min]) and the reaction rate constants at low substrate concentrations (k) (range: 0.002-0.062 min-1·(unit/L)-1 were similar for all substrates-enzyme combinations tested. In conclusion, we show that ß-glucuronidase from four different sources, including human neutrophils, is able to deconjugate flavonoid glucuronides and non-flavonoid substrates at fairly similar kinetic rates. At inflammatory sites in vivo the pH, neutrophil and flavonoid glucuronide concentrations seem favorable for deconjugation. However, it remains to be confirmed whether this is actually the case

Analysis of the EMBRACE aperture array antenna by the characteristic Basis Function Method

This paper describes the use of the Characteristic Basis Function Method for the simulation of large phased array antennas for radio astronomy. It will be shown how the antenna effective area and the receiver noise temperature depend on array size. Also the receiving sensitivity Aeff /T sys normalised with respect to the physical area of the array will be shown for different array sizes and scan angles

RELEASE: A High-level Paradigm for Reliable Large-scale Server Software

Erlang is a functional language with a much-emulated model for building reliable distributed systems. This paper outlines the RELEASE project, and describes the progress in the first six months. The project aim is to scale the Erlang’s radical concurrency-oriented programming paradigm to build reliable general-purpose software, such as server-based systems, on massively parallel machines. Currently Erlang has inherently scalable computation and reliability models, but in practice scalability is constrained by aspects of the language and virtual machine. We are working at three levels to address these challenges: evolving the Erlang virtual machine so that it can work effectively on large scale multicore systems; evolving the language to Scalable Distributed (SD) Erlang; developing a scalable Erlang infrastructure to integrate multiple, heterogeneous clusters. We are also developing state of the art tools that allow programmers to understand the behaviour of massively parallel SD Erlang programs. We will demonstrate the effectiveness of the RELEASE approach using demonstrators and two large case studies on a Blue Gene

Dynamics of broken symmetry lambda phi^4 field theory

We study the domain of validity of a Schwinger-Dyson (SD) approach to non-equilibrium dynamics when there is broken symmetry. We perform exact numerical simulations of the one- and two-point functions of lambda phi^4 field theory in 1+1 dimensions in the classical domain for initial conditions where < phi(x) > not equal to 0. We compare these results to two self-consistent truncations of the SD equations which ignore three-point vertex function corrections. The first approximation, which sets the three-point function to one (the bare vertex approximation (BVA)) gives an excellent description for < phi(x) > = phi(t). The second approximation which ignores higher in 1/N corrections to the 2-PI generating functional (2PI -1/N expansion) is not as accurate for phi(t). Both approximations have serious deficiencies in describing the two-point function when phi(0) > .4.Comment: 10 pages, 6 figure

Acceptability with general orderings

We present a new approach to termination analysis of logic programs. The essence of the approach is that we make use of general orderings (instead of level mappings), like it is done in transformational approaches to logic program termination analysis, but we apply these orderings directly to the logic program and not to the term-rewrite system obtained through some transformation. We define some variants of acceptability, based on general orderings, and show how they are equivalent to LD-termination. We develop a demand driven, constraint-based approach to verify these acceptability-variants. The advantage of the approach over standard acceptability is that in some cases, where complex level mappings are needed, fairly simple orderings may be easily generated. The advantage over transformational approaches is that it avoids the transformation step all together. {\bf Keywords:} termination analysis, acceptability, orderings.Comment: To appear in "Computational Logic: From Logic Programming into the Future

Computer simulation of diffusion processes in tilt spatio-periodic potentials

Нещодавно було показано, що в істотно нерівноважних системах коефіцієнт дифузії може вести себе немонотонно з температурою. Одним із прикладів таких систем з аномальною температурної залежністю є рух броунівських часток в просторово-періодичних структурах. Метою статті було дослідження зміни температурної залежності дифузії в недодемпфованих системах з низьким коефіцієнтом тертя. В роботі методами комп'ютерного моделювання вивчено зміна коефіцієнта дифузії частинок в широкому діапазоні температур в нахилених просторово-періодичних потенціалах для різних значень коефіцієнта тертя. Показано, що дифузія досягає максимуму при певній величині зовнішньої сили. Її значення залежить від величини коефіцієнта тертя. Показано, що на відміну від звичайної залежності Аррениуса, в разі нахиленого періодичного потенціалу, максимальний коефіцієнт дифузії зростає, а не зменшується з пониженням температури експоненціальним чином. Встановлено, що така залежність характерна для всіх недодемпфованих систем. Показано, що для просторово-періодичних структур існує обмежена ділянка сил, в якому спостерігається зростання коефіцієнта дифузії зі зменшенням температури. Це область так званої температурно-аномальної дифузії (ТАД). Визначено ширина і положення області ТАД в залежності від коефіцієнта тертя γ і параметрів системи. Показано, що зі зменшенням γ, ширина області ТАД зменшується пропорційно γ. При цьому коефіцієнт дифузії в області ТАД, навпаки зростає ~γ. Отримані дані про температурно-аномальної дифузії мають важливе значення для різних областей фізики і техніки та відкривають перспективи створення новітніх технологій управління процесами дифузії.It was recently shown that in essentially nonequilibrium systems, the diffusion coefficient can behave nonmonotonically with temperature. One example of such systems with anomalous temperature dependence is the motion of Brownian particles in spatially periodic structures. The aim of the article was to study the change in the temperature dependence of diffusion in underdamped systems with a low coefficient of friction. In this paper, computer simulation methods are used to study the change in the diffusion coefficient of particles in a wide range of temperatures in oblique spatially periodic potentials for different values of the friction coefficient. It is shown that diffusion reaches a maximum at a certain external force. Its value depends on the coefficient of friction. It is shown that, in contrast to the usual Arrhenius dependence, in the case of an inclined periodic potential, the maximum diffusion coefficient increases while temperature is decreasing exponentially. It is established that such a dependence is common to all underdamped systems. It is shown that for spatially periodic structures there is a limited portion of forces in which an increase in the diffusion coefficient while decreasing temperature is observed. This is the area of the so-called temperature-anomalous diffusion (TAD). The width and position of the TAD region are determined depending on the friction coefficient γ and the system parameters. It has been shown that a decrease in γ, width TAD region decreases proportionally γ. In this case, the diffusion coefficient in the TAD region, on the contrary, increases ~γ. The data obtained on the temperature and the anomalous diffusion are important for various fields of physics and engineering, and opens new prospects for a diffusion process control technology