Electronic polarization in pentacene crystals and thin films

Electronic polarization is evaluated in pentacene crystals and in thin films on a metallic substrate using a self-consistent method for computing charge redistribution in non-overlapping molecules. The optical dielectric constant and its principal axes are reported for a neutral crystal. The polarization energies P+ and P- of a cation and anion at infinite separation are found for both molecules in the crystal's unit cell in the bulk, at the surface, and at the organic-metal interface of a film of N molecular layers. We find that a single pentacene layer with herring-bone packing provides a screening environment approaching the bulk. The polarization contribution to the transport gap P=(P+)+(P-), which is 2.01 eV in the bulk, decreases and increases by only ~ 10% at surfaces and interfaces, respectively. We also compute the polarization energy of charge-transfer (CT) states with fixed separation between anion and cation, and compare to electroabsorption data and to submolecular calculations. Electronic polarization of ~ 1 eV per charge has a major role for transport in organic molecular systems with limited overlap.Comment: 10 revtex pages, 6 PS figures embedde

The in vitro bioactivity of two novel hydrophilic, partially degradable bone cements

Composite bone cements were prepared with bioactive glasses (MgO–SiO2–3CaO Æ P2O5) of different reactivities. The matrix of these so-called hydrophilic, partially degradable and bioactive cements was composed of a starch/cellulose acetate blend and poly(2-hydroxyethyl methacrylate). The addition of 30 wt.% of glasses to this system made them bioactive in acellular medium: a dense apatite layer formed on the surface after 7 days of immersion in simulated body fluid. This was demonstrated both by microscopic and infrared spectroscopic techniques. The composition of the glass and, consequently, its structure was found to have important effects on the rate of the apatite formation. The combination of reactivity obtained by one formulation with the hydrophilic and degradable character of these cements makes them a very promising alternative to conventional acrylic bone cements, by allowing a better stabilization of the implant and a stronger adhesion to the bone

Nanogold-based materials in medicine: from their origins to their future.

The properties of gold-based materials have been explored for centuries in several research fields, including medicine. Multiple published production methods for gold nanoparticles (AuNPs) have shown that the physicochemical and optical properties of AuNPs depend on the production method used. These different AuNP properties have allowed exploration of their usefulness in countless distinct biomedical applications over the last few years. Here we present an extensive overview of the most commonly used AuNP production methods, the resulting distinct properties of the AuNPs and the potential application of these AuNPs in diagnostic and therapeutic approaches in biomedicine

Absolutismo esclarecido e intervenção popular. Os motins do porto de 1757

SILVA, Francisco Ribeiro da. Absolutismo esclarecido e intervenção popular. Os motins do porto de 1757

An Integrated TCGA Pan-Cancer Clinical Data Resource to Drive High-Quality Survival Outcome Analytics

For a decade, The Cancer Genome Atlas (TCGA) program collected clinicopathologic annotation data along with multi-platform molecular profiles of more than 11,000 human tumors across 33 different cancer types. TCGA clinical data contain key features representing the democratized nature of the data collection process. To ensure proper use of this large clinical dataset associated with genomic features, we developed a standardized dataset named the TCGA Pan-Cancer Clinical Data Resource (TCGA-CDR), which includes four major clinical outcome endpoints. In addition to detailing major challenges and statistical limitations encountered during the effort of integrating the acquired clinical data, we present a summary that includes endpoint usage recommendations for each cancer type. These TCGA-CDR findings appear to be consistent with cancer genomics studies independent of the TCGA effort and provide opportunities for investigating cancer biology using clinical correlates at an unprecedented scale. Analysis of clinicopathologic annotations for over 11,000 cancer patients in the TCGA program leads to the generation of TCGA Clinical Data Resource, which provides recommendations of clinical outcome endpoint usage for 33 cancer types

A Step Forward in Breast Cancer Research: Gold Nanoparticles as Photothermal Therapy Enhancers

Gold nanoparticles (AuNPs) have been widely used and characterized for multiple biomedical applications, including the enhancement of photothermal therapy (PTT). AuNPs present a particular plasmon resonance band and are able to convert the absorbed optical radiation into heat, which validates their use in PTT. Several production methods have already been proposed for the synthesis of AuNPs, allowing to optimize the particles' morphology, size and optical properties. However, the production methods commonly used are frequently associated with the use of toxic reagents such as Cetyltrimethylammonium bromide, which presents some concerns for clinical applications. Herein, it is proposed a novel AuNPs' core synthesis method using tetrachloroauric acid and a mixture of reducing agents, later on coated with a combination of hyaluronic and oleic acids. The coating here represents a potential improvement of AuNPs biocompatibility, biodegradability and lifetime, while simultaneously potentiating the attachment towards specific ligands, such as the CD44 receptor, to develop more localized and highly selective tools. The produced functionalized nanoparticles were characterized by Dynamic Light Scattering, Microscopy Techniques and Spectroscopy, showing diameter sizes under 350 nm, polydispersity index smaller than 0.4 and enhanced absorbance in the Near Infrared (NIR, 650 to 900 nm) range. Moreover, the AuNPs safety and efficacy were preliminarily assessed in vitro using breast cancer cell lines. No toxicity was observed by MTT assay, both in breast cancer cell lines, and red blood cells. The irradiation process was proved to be safe; however, when combined with the AuNPs administration, it resulted in a significant reduction of cell viability for some of the breast cell lines tested. Thus, the results highlight the potential of the proposed system for some type of tumors, even though further tests are required to better understand the mechanisms behind the obtained results

On the mechanisms governing gas penetration into a tokamak plasma during a massive gas injection

A new 1D radial fluid code, IMAGINE, is used to simulate the penetration of gas into a tokamak plasma during a massive gas injection (MGI). The main result is that the gas is in general strongly braked as it reaches the plasma, due to mechanisms related to charge exchange and (to a smaller extent) recombination. As a result, only a fraction of the gas penetrates into the plasma. Also, a shock wave is created in the gas which propagates away from the plasma, braking and compressing the incoming gas. Simulation results are quantitatively consistent, at least in terms of orders of magnitude, with experimental data for a D 2 MGI into a JET Ohmic plasma. Simulations of MGI into the background plasma surrounding a runaway electron beam show that if the background electron density is too high, the gas may not penetrate, suggesting a possible explanation for the recent results of Reux et al in JET (2015 Nucl. Fusion 55 093013)

The Role of Rosmarinic Acid on the Bioproduction of Gold Nanoparticles as Part of a Photothermal Approach for Breast Cancer Treatment.

Breast cancer is a high-burden malignancy for society, whose impact boosts a continuous search for novel diagnostic and therapeutic tools. Among the recent therapeutic approaches, photothermal therapy (PTT), which causes tumor cell death by hyperthermia after being irradiated with a light source, represents a high-potential strategy. Furthermore, the effectiveness of PTT can be improved by combining near infrared (NIR) irradiation with gold nanoparticles (AuNPs) as photothermal enhancers. Herein, an alternative synthetic method using rosmarinic acid (RA) for synthesizing AuNPs is reported. The RA concentration was varied and its impact on the AuNPs physicochemical and optical features was assessed. Results showed that RA concentration plays an active role on AuNPs features, allowing the optimization of mean size and maximum absorbance peak. Moreover, the synthetic method explored here allowed us to obtain negatively charged AuNPs with sizes favoring the local particle accumulation at tumor site and maximum absorbance peaks within the NIR region. In addition, AuNPs were safe both in vitro and in vivo. In conclusion, the synthesized AuNPs present favorable properties to be applied as part of a PTT system combining AuNPs with a NIR laser for the treatment of breast cancer

Gold nanoparticles as a part of a photothermal therapy system.

Introduction Photothermal therapy (PTT) is attracting increased attention for the treatment of superficial localized tumors, relying on the induction of local hyperthermia of tumor cells upon their irradiation with light beams1. PTT efficacy depends, however, on the heat generated and, on the depth reached by the light. Some strategies to improve PTT efficacy includes the use of the near infrared (NIR, 650 to 900 nm) radiation to enhance the penetration depth of the light, combined with gold nanoparticles (AuNPs) to enhance the photothermal effect2. Experimental Methods Core AuNPs were synthesized by a novel method using tetrachloroauric acid and a mixture of reducing agents, and subsequently coated with a combination of hyaluronic and oleic acids, for improving the NPs biocompatibility, biodegradability, and lifetime. This coating also promotes the binding of specific cell receptors of the tumor cells. The particles were physico-chemically characterized, and in vitro and in vivo tests were carried out in breast cancer models to assess their safety and efficacy, when applied alone or combined with NIR irradiation3. Results and Discussion AuNPs presented a predominant spherical morphology with sizes under 350 nm, polydispersity index lower than 0.4 and enhanced absorbance in the NIR. The particles showed no toxicity in vitro and promising efficacy in vivo when administering the NPs in situ and later irradiating them externally. Histopathological analysis of tumors treated with both AuNPs and laser irradiation showed the presence of necrosis in most of the tumors and no effect or practically absence in healthy surrounding cells, which are very encouraging outcomes. Conclusion The results are promising, however, there is still room for improving the system, namely by reducing even more the invasiveness of the treatment through the combined use of aerogels structures. Aerogel’s unique properties4 make them ideal candidates to minimize the exposure of healthy tissues to laser radiation, acting as light and thermal insulators, as well as to incorporate the nanoparticles into their skeletal structure and thus potentiating a topical application of the particles. For these reasons, some exploratory methods were carried to produce and design aerogels structures for PTT applications

Effects of animal type, handling, and transportation conditions on beef cattle temperament pre-slaughter

ABSTRACT This study aimed to investigate the effects of animal type, on-farm handling, and transport conditions on temperament of beef cattle pre-slaughter. The study evaluated 4,061 cattle batches, averaging 49 animals, with a total of 199,026 cattle. Temperament was evaluated through a behavioral assessment carried out based on the temperament shown by cattle when approached by humans. One of three different temperament scores were assigned to each batch: calm, anxious, or excitable. Excitable temperament was reported in animals subjected to long transport time and distance and high loading density. The degree of carcass fatness was higher in calm animals, followed by anxious animals, with the excited temperament animals having the lowest carcass fatness degree. Older animals showed more excitable temperament, while younger animals showed calmer temperament. The excitable temperament was more evident in horned animals in relation to polled animals. Animal temperament was more reactive in batches with older cattle, low carcass fatness degree, and with more than 20% horned animals. Good handling and loading facilities and procedures at the farm contributed to adequate cattle temperament expression prior to slaughter