Curing basis-set convergence of wave-function theory using density-functional theory: a systematically improvable approach

The present work proposes to use density-functional theory (DFT) to correct for the basis-set error of wave-function theory (WFT). One of the key ideas developed here is to define a range-separation parameter which automatically adapts to a given basis set. The derivation of the exact equations are based on the Levy-Lieb formulation of DFT, which helps us to define a complementary functional which corrects uniquely for the basis-set error of WFT. The coupling of DFT and WFT is done through the definition of a real-space representation of the electron-electron Coulomb operator projected in a one-particle basis set. Such an effective interaction has the particularity to coincide with the exact electron-electron interaction in the limit of a complete basis set, and to be finite at the electron-electron coalescence point when the basis set is incomplete. The non-diverging character of the effective interaction allows one to define a mapping with the long-range interaction used in the context of range-separated DFT and to design practical approximations for the unknown complementary functional. Here, a local-density approximation is proposed for both full-configuration-interaction (FCI) and selected configuration-interaction approaches. Our theory is numerically tested to compute total energies and ionization potentials for a series of atomic systems. The results clearly show that the DFT correction drastically improves the basis-set convergence of both the total energies and the energy differences. For instance, a sub kcal/mol accuracy is obtained from the aug-cc-pVTZ basis set with the method proposed here when an aug-cc-pV5Z basis set barely reaches such a level of accuracy at the near FCI level

Reduced in vitro susceptibility to artemisinin derivatives associated with multi-resistance in a traveller returning from South-East Asia

Decreased in vitro susceptibility to dihydroartemisinin (21.2 nM) and artesunate (16.3 nM) associated with decreased susceptibility or resistance to quinine (1131 nM), mefloquine (166 nM), lumefantrine (114 nM), pyronaridine (70.5 nM) and piperaquine (91.1 nM) is reported in a patient returning from South-East Asia after trekking along the Mekong from the south of Laos to the north of Thailand. Decreased in vitro susceptibility to artemisinin derivatives did not appear to be mediated by the number of copies of pfmdr1 or pfATPase6, pfcrt, pfmdr1 or pfmrp polymorphism. The high IC50 to mefloquine of this Asian isolate was not associated with pfmdr1 copy number. Pfnhe-1 microsatellite ms4760 showed a profile 7 (ms4760-7) with three repeats of DNNND and one repeat of DDDNHNDNHNN, which is associated with high quinine reduced susceptibility. The patient recovered in three days without relapse after treatment with the association of quinine and doxycycline. Decreased in vitro susceptibility to quinine and the delayed effect of doxycycline may both have contributed to the delayed parasite clearance time, D4 (0.5%) and D7 (0.004%). The in vitro data, with IC50 for dihydroartemisinin and artesunate were up to ten times those of the reference clone W2, which suggests that this isolate may be resistant to artemisinin derivatives, associated with a decreased susceptibility to quinine

Higher vector bundles and multi-graded symplectic manifolds

A natural explicit condition is given ensuring that an action of the multiplicative monoid of non-negative reals on a manifold F comes from homotheties of a vector bundle structure on F, or, equivalently, from an Euler vector field. This is used in showing that double (or higher) vector bundles present in the literature can be equivalently defined as manifolds with a family of commuting Euler vector fields. Higher vector bundles can be therefore defined as manifolds admitting certain $\N^n$-grading in the structure sheaf. Consequently, multi-graded (super)manifolds are canonically associated with higher vector bundles that is an equivalence of categories. Of particular interest are symplectic multi-graded manifolds which are proven to be associated with cotangent bundles. Duality for higher vector bundles is then explained by means of the cotangent bundles as they contain the collection of all possible duals. This gives, moreover, higher generalizations of the known `universal Legendre transformation' T*E->T*E*, identifying the cotangent bundles of all higher vector bundles in duality. The symplectic multi-graded manifolds, equipped with certain homological Hamiltonian vector fields, lead to an alternative to Roytenberg's picture generalization of Lie bialgebroids, Courant brackets, Drinfeld doubles and can be viewed as geometrical base for higher BRST and Batalin-Vilkovisky formalisms. This is also a natural framework for studying n-fold Lie algebroids and related structures.Comment: 27 pages, minor corrections, to appear in J. Geom. Phy

Impact of methylene blue and atorvastatin combination therapy on the apparition of cerebral malaria in a murine model

BACKGROUND: Proveblue®, a methylene blue dye that complies with European Pharmacopoeia and contains limited organic impurities and heavy metals of recognized toxicity, showed in vitro synergy against Plasmodium falciparum when combined with atorvastatin, an inhibitor of 3-hydroxy-3-methylglutaryl-Coenzyme A reductase. The objective of this study was to evaluate the in vivo efficacy of Proveblue® when combined with atorvastatin in a murine model of experimental cerebral malaria. METHODS: Forty female C57Bl6/N mice were divided into four groups (control, atorvastatin 40 mg/kg for seven days, Proveblue® 10 mg/kg for five days and atorvastatin combined with Proveblue®), infected with Plasmodium berghei ANKA parasites by intraperitoneal inoculation and observed for 45 days. RESULTS: Treatment with atorvastatin alone did not demonstrate an effect significantly different from no treatment (p = 0.0573). All the mice treated by atorvastatin alone died. Treatment with Proveblue® or a combination of Proveblue® and atorvastatin was significantly increased survival of cerebral malaria (p = 0.0011 and 0.0002, respectively). Although there was only one death in the atorvastatin and Proveblue® combination treatment group (10%) versus two deaths (22%) with Proveblue® treatment, the effect on cerebral malaria was not significant (p = 0.283). CONCLUSIONS: The present work demonstrated, for the first time, the high efficacy of Proveblue® in preventing cerebral malaria. Atorvastatin alone or in combination appears to possess limited use for preventing cerebral malaria. Combination of atorvastatin with lower doses of Proveblue® (<10 mg/kg/day) should be evaluated to show potential synergistic effects in cerebral malaria prevention

Quasi-derivations and QD-algebroids

Axioms of Lie algebroid are discussed in order to review some known aspects for non-experts. In particular, it is shown that a Lie QD-algebroid (i.e. a Lie algebra bracket on the Functions(M)-module F of sections of a vector bundle E over a manifold M which satisfies [X,fY]=f[X,Y]+A(X,f)Y for all X,Y from F, all f from Functions(M), and for certain A(X,f) from Functions(M)) is a Lie algebroid if rank(E)>1, and is a local Lie algebra in the sense of Kirillov if E is a line bundle. Under a weak condition also the skew-symmetry of the bracket is relaxed.Comment: LaTeX, 6 pages. Minor corrections, also in the terminology. A few references added. The final version to be published in Rep. Math. Phy

A MEDIAÇÃO CULTURAL EM EQUIPAMENTOS CULTURAIS

Trabalho de Conclusão de Curso apresentado ao Instituto Latino-Americano de Arte, Cultura e História da Universidade Federal da Integração Latino-Americana, como requisito parcial à obtenção do título de Bacharel em Letras – Artes e Mediação Cultural.A pesquisa busca compreender a partir de bibliografias do curso de Mediação Cultural, Artes e Letras, como os conceitos de Mediação Cultural abordados enriquecem as práticas e construções das políticas públicas culturais e afetam os equipamentos culturais e editais do município de Foz do Iguaçu. Pretendemos estabelecer uma relação de dados da gestão pública cultural, fornecidos pela Fundação Cultural de Foz do Iguaçu, analisando as mudanças no campo organizacional público para entender como a mediação cultural pode atuar como método de ação cultural e na construção de políticas públicas. A partir da observação da construção de Políticas Culturais, da análise de dados da Estação Cultural João Sampaio da cidade de Foz do Iguaçu, dos editais de cultura municipal com foco no Projeto Foz Fazendo Arte e outras observações sobre a gestão públic

L`influence indienne dans l`architecture Swahili

Indian Influence in Swahili architecture. The goal of this article is to establish a synthesis of current knowledge on the contribution of the Indian world in Swahili architecture, from the islamisation to the sultanate of Zanzibar. By Indian world, we designate Pakistan and modern India, more precisely coastal regions of Sind, Gujerat and Deccan. Indians have participated at the creation of Swahili urbanism since the eighth century and have acted on the evolution of this architecture. To apprehend the role of India in the Swahili architecture, we will divide our comment in three areas: religious, civilian and military. With an historical introduction to the relationships between Africa and India