The construction of extensible polynomial lattice rules with small weighted star discrepancy

In this paper we introduce a construction algorithm for extensible polynomial lattice rules and we prove that the construction algorithm yields generating vectors of polynomials which are optimal for a range of moduli chosen in advance. The construction algorithm uses a sieve where the generating vectors are extended by one coefficient in each component at each step and where one keeps a certain number of good ones and discards the rest. We also show that the construction can be done component by component.

     

Predictive Capabilities of an Improved Cubic k–ε Model for Inert Steady Flows

Through an improved ε transport equation, a major quality enhancement of the cubic k–ε model, earlier developed in[13], is obtained. The ε-equation of [13],yielding good results for wall-bounded and rotating flows, is combined with the one derived by Shih et al. [20], which produces good results for free shear flows (e.g. the plane jet–round jet anomaly is resolved).Results are presented for the following flows: fully developed stationary and rotating channel and pipe, backward-facing step, sudden pipe expansion, smooth channel expansion and contraction, plane and round jet. Heat transfer predictions in turbulent impinging jets are also discussed. Accurate results are obtained for the mean flow quantities for all test cases, without case dependent model tuning. This revised version was published online in July 2006 with corrections to the Cover Date.     

Discovery of a Novel Mycobacterial F‐ATP Synthase Inhibitor and its Potency in Combination with Diarylquinolines

The F₁F_O‐ATP synthase is required for growth and viability of Mycobacterium tuberculosis and is a validated clinical target. A mycobacterium‐specific loop of the enzyme's rotary γ subunit plays a role in the coupling of ATP synthesis within the enzyme complex. We report the discovery of a novel antimycobacterial, termed GaMF1, that targets this γ subunit loop. Biochemical and NMR studies show that GaMF1 inhibits ATP synthase activity by binding to the loop. GaMF1 is bactericidal and is active against multidrug‐ as well as bedaquiline‐resistant strains. Chemistry efforts on the scaffold revealed a dynamic structure activity relationship and delivered analogues with nanomolar potencies. Combining GaMF1 with bedaquiline or novel diarylquinoline analogues showed potentiation without inducing genotoxicity or phenotypic changes in a human embryonic stem cell reporter assay. These results suggest that GaMF1 presents an attractive lead for the discovery of a novel class of anti‐tuberculosis F‐ATP synthase inhibitors.     

Elucidation of the Intersystem Crossing Mechanism in a Helical BODIPY for Low-Dose Photodynamic Therapy

Intersystem crossing (ISC) of triplet photosensitizers is a vital process for fundamental photochemistry and photodynamic therapy (PDT). Herein, we report the co-existence of efficient ISC and long triplet excited lifetime in a heavy atom-free bodipy helicene molecule. Via theoretical computation and time-resolved EPR spectroscopy, we confirmed that the ISC of the bodipy results from its twisted molecular structure and reduced symmetry. The twisted bodipy shows intense long wavelength absorption (ϵ=1.76×10⁵ m ⁻¹ cm⁻¹ at 630 nm), satisfactory triplet quantum yield (Φ_T=52 %), and long-lived triplet state (τ_T=492 μs), leading to unprecedented performance as a triplet photosensitizer for PDT. Moreover, nanoparticles constructed with such helical bodipy show efficient PDT-mediated antitumor immunity amplification with an ultra-low dose (0.25 μg kg⁻¹), which is several hundred times lower than that of the existing PDT reagents.     

Eine neue Methode zur Bestimmung des Kobalts

Ohne Zusammenfassung     

Eine Schnellmethode zur mikrochemischen Bestimmung des Kupfers

Ohne Zusammenfassung     

Tabletten

Ohne Zusammenfassung     

Eine Schnellmethode zur Bestimmung des Zinks.

Analytical and Bioanalytical Chemistry -