The atomistic effects of N atoms on the leakage current through HfO2 high-k gate dielectrics have been studied from first-principles calculations within the framework of a generalized gradient approximation (GGA). It has been found that the intrinsic effects of N atoms drastically reduce the electron leakage current. N atoms couple favorably with oxygen vacancies (VO) in HfO2 and extract electrons from VO. As a result, VO energy levels are drastically elevated due to the charged-state change in VO from neutral (VO0) to positively charged (VO2+). Accordingly, N incorporation removes the electron leakage path mediated by VO related gap states.

It is widely believed that existing electroweak data requires a Standard Model Higgs to be light while electroweak and flavour physics constraints require other scalars charged under the Standard Model gauge couplings to be heavy. We analyze the robustness of these beliefs within a general scalar sector and find both to be incorrect, provided that the scalar sector approximately preserves custodial symmetry and minimal flavour violation (MFV). We demonstrate this by considering the phenomenology of the Standard Model supplemented by a scalar having SU c (3) × SU L (2) × U Y (1) quantum numbers (8, 2) 1/2which has been argued [13] to be the only kind of exotic scalar allowed by MFV that couples to quarks. We examine constraints coming from electroweak precision data, direct production from LEPII and the Tevatron, and from flavour physics, and find that the observations allow both the Standard Model Higgs and the new scalars to be simultaneously light -with masses ∼ 100 GeV, and in some cases lighter. The discovery of such light coloured scalars could be a compelling possibility for early LHC runs, due to their large production cross section, σ ∼ 100 pb. But the observations equally allow all the scalars to be heavy (including the Higgs), with masses ∼ 1 TeV, with the presence of the new scalars removing the light-Higgs preference that normally emerges from fits to the electroweak precision data.

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A facile sunlight-induced derivatization of heteroaromatics via photocatalyzed C-H functionalization in amides, ethers, alkanes and aldehydes is described. Tetrabutylammonium decatungstate (TBADT) was used as the photocatalyst and allowed to carry out the process under mild conditions.

Visible light induced direct β-C–H/C–C conversion of cyclopentanones was accomplished by using tetrabutylammonium decatungstate, TBADT, as the photocatalyst.

Novel 2'-deoxycytidine antimetabolites, specifically several 2'-modified 2'-deoxy-4'-thiocytidines, were synthesized as potential new antineoplastic agents. Methyl 3-O-benzylxylofuranoside was converted to a 1,4-anhydro-4-thioarabitol 24. Protection of the primary alcohol of 24 gave a common intermediate (15) which was useful for the synthesis of various 2'-modified 2'-deoxy-4'-thionucleosides. Oxidation of the secondary hydroxyl group of 15, followed by the Wittig reaction or treatment with (diethylamido)sulfur trifluoride (DAST) produced 2-deoxy-2-methylene (26) and 2-deoxy-2,2-difluoro (34) derivatives, respectively. Unique Pummerer-type glycosylation between the corresponding sulfoxides and trimethylsilylated N(4)-acetylcytosine produced 2'-deoxy-2'-methylene- (10) and 2'-deoxy-2',2'-difluoro-4'-thiocytidines (11). On the other hand, treatment of 15 with DAST introduced a fluorine atom with retention of the 2'-stereochemistry, yielding 40. In contrast, the Mitsunobu reaction of 3-O-benzoyl derivative 53 which was obtained from 15 in five steps, using diphenylphosphoryl azide gave azide derivative 54 with inverted stereochemistry. These derivatives were converted to the corresponding 1-O-acetyl derivatives via the usual Pummerer rearrangement, which were in turn used to synthesize 4'-thiocytidines 12 and 58. Among the 2'-modified 4'-thiocytidines obtained, 2'-methylene (10) and 2'-fluoro (12) derivatives were found to have potent antineoplastic properties in vitro.

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The use of ferromagnetic nanoparticles for hyperthermia and thermoablation therapies has shown great promise in the field of nanobiomedicine. Even local hyperthermia offers numerous advantages as a novel cancer therapy; however, it requires a remarkably high heating power of more than 1 kW g−1 for heat agents. As a candidate for high heat generation, we focus on ferromagnetic nanoparticles and compare their physical properties with those of superparamagnetic substances. Numerical simulations for ideal single-domain ferromagnetic nanoparticles with cubic and uniaxial magnetic symmetries were carried out and MH curves together with minor loops were obtained. From the simulation, the efficient use of an alternating magnetic field (AMF) having a limited amplitude was discussed. Co-ferrite nanoparticles with various magnitudes of coercive force were produced by co-precipitation and a hydrothermal process. A maximum specific loss power of 420 W g−1 was obtained using an AMF at 117 kHz with H 0 = 51.4 kA m−1 (640 Oe). The relaxation behaviour in the ferromagnetic state below the superparamagnetic blocking temperature was examined by Mössbauer spectroscopy.