BEDT-TTF organic superconductors: the entangled role of phonons

We calculate the lattice phonons and the electron-phonon coupling of the organic superconductor \kappa-(BEDT-TTF)_2 I_3, reproducing all available experimental data connected to phonon dynamics. Low-frequency intra-molecular vibrations are strongly mixed to lattice phonons. Both acoustic and optical phonons are appreciably coupled to electrons through the modulation of the hopping integrals (e-LP coupling). By comparing the results relevant to superconducting \kappa- and \beta-(BEDT-TTF)_2 I_3, we show that electron-phonon coupling is fundamental to the pairing mechanism. Both e-LP and electron-molecular vibration (e-MV) coupling are essential to reproduce the critical temperatures. The e-LP coupling is stronger, but e-MV is instrumental to increase the average phonon frequency.Comment: 4 pages, including 4 figures. Published version, with Ref. 17 corrected after publicatio

Robust and Biocompatible Functionalization of ZnS Nanoparticles by Catechol-Bearing Poly(2-Methyl-2-Oxazoline)s.

Zinc sulfide (ZnS) nanoparticles (NPs) are particularly interesting materials for their electronic and luminescent properties. Unfortunately, their robust and stable functionalization and stabilization, especially in aqueous media, has represented a challenging and not yet completely accomplished task. In this work, we report the synthesis of colloidally stable, photoluminescent and biocompatible core\u2013polymer shell ZnS and ZnS:Tb NPs by employing a water-in-oil miniemulsion (ME) process combined with surface functionalization via catechol-bearing poly-2-methyl-2-oxazoline (PMOXA) of various molar masses. The strong binding of catechol anchors to the metal cations of the ZnS surface, coupled with the high stability of PMOXA against chemical degradation, enable the formation of suspensions presenting excellent colloidal stability. This feature, combined with the assessed photoluminescence and biocompatibility, make these hybrid NPs suitable for optical bioimaging

Effect of Body Condition Score at Calving on Performance, Some Blood Parameters, and Milk Fatty Acid Composition in Dairy Cows

Effect of body condition score at calving and of change in body condition score on productive and reproductive performance, on lactation curve parameters, and on postpartum disease occurrence was investigated in 213 Italian Holstein-Friesian cows. Plasma FFA, glucose, and insulin concentrations and milk fatty acid composition were analyzed in 15 cows. The cows calving at highest body condition score lost more subcutaneous fat; condition score change did not exceed 1.05 units. Change in body condition score was positively associated with peak and total milk production. Occurrence of retained placenta was not related to the content of fat stores at calving. Glucose concentrations were relatively constant, FFA concentrations were highest, and insulin concentrations were lower in cows calving at the highest body condition score. Milk fatty acid composition reflected the different utilization of body fat stores

Functional bioglass/carbon nanocomposite scaffolds from vat photopolymerization of a novel preceramic polymer-based nanoemulsion

Silicone polymers are already known as feedstock for a variety of silicate bioceramics, in the form of scaffolds with complex shapes, obtained by Vat Photopolymerization. Printing is enabled by using silicone blended with photocurable acrylates. The development of a particular silicate composition that functions as a glass or glass-ceramic precursor is possible by the addition of suitable oxide fillers (especially carbonate powders), suspended in the polymer blend. Oxides, from the fillers, easily react with silica left by the thermal transformation of the silicone. The fillers, however, also determine complications in Vat Photopolymerization, due to light scattering; in addition, local oxide concentrations generally impede the obtainment of glassy products. The present paper illustrates a simple solution to these issues, based on the inclusion of a Ca salt in nano-emulsion within a silicone-containing blend. Homogeneous printed samples are later converted into crack-free, fully amorphous ceramic composites, by firing at only 700 °C. The glass matrix, resembling 70S30C (70 % SiO2 and 30 % CaO) bioglass, is achieved according to the quasi-molecular CaO distribution. The secondary phase, promoted by treatment in N2 atmosphere and consisting of pyrolytic carbon, provides a marked photothermal effect

Multiple logistic regressions: controlling factors in applications to soil class prediction.

Métodos mais eficazes para determinação do padrão de distribuição de classes de solo na paisagem precisam ser avaliados visando suprir a demanda por mapas de solo em escalas regional e global. Neste estudo, Regressões Logísticas Múltiplas foram utilizadas como modelos preditores em uma aplicação de Mapeamento Digital de Solos. Os modelos foram gerados utilizando um mapa de solos existente como variável dependente e atributos de terreno como variáveis independentes, o que possibilitou determinar a probabilidade de encontrar classes de solo na paisagem no primeiro e no segundo nível categórico do SiBCS. A qualidade dos mapas preditos foi verificada por meio da matriz de contingência. A classe dos Argissolos foi predita corretamente, em relação ao mapa original, em aproximadamente 85 %. As classes de solos hidromórficos (Planossolos e Gleissolos) foram preditas corretamente em 75 %. Houve confundimento dos modelos para as classes que ocupam posições muito semelhantes na paisagem. Foi verificado também que classes de solo pouco representativas na paisagem não são adequadamente espacializadas em razão da sensibilidade dos modelos logísticos à proporção relativa das amostras usadas para treinar os modelos

How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein

The Water-Soluble Chlorophyll Protein (WSCP) of Brassicaceae is a remarkably stable tetrapyrrole- binding protein that, by virtue of its simple design, is an exceptional model to investigate the interactions taking place between pigments and their protein scaffold and how they affect the photophysical properties and the functionality of the complexes. We investigated variants of WSCP from Lepidium virginicum (Lv) and Brassica oleracea (Bo), reconstituted with Chlorophyll (Chl) b, to determine the mechanisms by which the different Chl binding sites control their Chl a/b specificities. A combined Raman and crystallographic investigation has been employed, aimed to characterize in detail the hydrogen-bond network involving the formyl group of Chl b. The study revealed a variable degree of conformational freedom of the hydrogen bond networks among the WSCP variants, and an unexpected mixed presence of hydrogen-bonded and not hydrogen-bonded Chls b in the case of the L91P mutant of Lv WSCP. These findings helped to refine the description of the mechanisms underlying the different Chl a/b specificities of WSCP versions, highlighting the importance of the structural rigidity of the Chl binding site in the vicinity of the Chl b formyl group in granting a strong selectivity to binding sites

Theory of the optical conductivity of (TMTSF)2_2PF6_6 in the mid-infrared range

We propose an explanation of the mid-infrared peak observed in the optical conductivity of the Bechgaard salt (TMTSF)$_2$PF$_6$ in terms of electronic excitations. It is based on a numerical calculation of the conductivity of the quarter-filled, dimerized Hubbard model. The main result is that, even for intermediate values of $U/t$ for which the charge gap is known to be very small, the first peak, and at the same time the main structure, of the optical conductivity is at an energy of the order of the dimerization gap, like in the infinite $U$ case. This surprising effect is a consequence of the optical selection rules.Comment: 10 pages, 9 uuencoded figure

Proposta de um modelo de maturidade para Gestão do Conhecimento: KM3

A implementação da Gestão do Conhecimento (GC) ocorre em estágios, ou seja, é um processo que demanda mudanças na organização. O objetivo principal desta pesquisa é desenvolver um modelo de maturidade de gestão do conhecimento. Esta pesquisa adotou os princípios da Teoria do Ciclo de Vida. A pesquisa é qualitativa de caráter exploratório. Inicialmente, a partir da análise dos modelos de GC existentes foi desenvolvida uma proposta de Modelo de Maturidade para Gestão do Conhecimento, denominado KM3. Na sequência, esta proposta foi analisada por profissionais. Estes confirmaram os estágios do modelo de maturidade de GC e contribuíram para o refinamento dos fatores alocados em cada estágio. O KM3 é formado por cinco estágios: Falta de Consciência (2 fatores), Planejamento (15 fatores), Iniciação (20 fatores), Desenvolvimento (24 fatores) e Integração (24 fatores)