Study of the optical behavior of skins using Monte Carlo techniques

Uno de los principales retos en óptica biomédica y en biofotónica es la simulación de la propagación de la luz en los tejidos biológicos. El método de Monte Carlo es la aproximación más empleada, y se puede afirmar que constituye un estándar por su flexibilidad y fiabilidad en modelar la geometría de un tejido heterogéneo. Este trabajo muestra cómo analizar el comportamiento óptico de la piel y cómo algunas de las deducciones extraídas de este análisis pueden aportar información para el diagnóstico y el tratamiento de pieles. Se han aplicado las propiedades ópticas de pieles sanas de diferentes razas y, como alteración posible en la piel, se ha estudiado la presencia del basalioma. Los resultados nos ofrecen un método para distinguir entre piel «sana» y piel «enferma», lo que podría facilitar un procedimiento de identificación de pieles cancerígenas. Del estudio de los distintos tipos de pieles sanas se desprende, además, un ejemplo de aplicación inmediata que se beneficia del conocimiento adquirido por los valores obtenidos (fotodepilación). En este trabajo se presentan los resultados más significativos de los programas de simulación basados en técnicas de Monte Carlo, que permiten estudiar el comportamiento de la piel frente a una radiación óptica. La aproximación a la trayectoria que sigue la luz en su interacción con el tejido se obtiene a partir de las propiedades ópticas conocidas a priori. Se realiza una aproximación general al tema, identificando los principales problemas que se plantean en este tipo de estudios y se emplea un programa comercial.In both biomedical optics and biophotonics, one of the main challengers is the simulation of light spread in biological tissues. The approximation which is most used is Monte Carlos method; it is a standard because of its flexibility and its reliability modeling heterogeneous tissues. This paper shows how to analyse the optical behaviour of the skin, and how some of the deductions drawn from this analysis can add information for the diagnosis and treatment of skins. The optic qualities of healthy skins from different races have been applied; and as a possible alteration in the skin, basalioma presence has been studied. The results provide us with a method to distinguish between “healthy” and “ill” skin, which could make the procedure to identify cancer skins easier. From the study of the different healthy skins an example of immediate application also appears which benefits from the knowledge acquired from the values obtained (photodepilation). In this work the most valued results of the simulation programs based in Monte Carlos technics are presented, which allow studying the skins behaviour facing an optical radiation; the approximation to the light trajectory interacting with the tissues is obtained from the optic qualities known before. First of all, a general approach to the theme is carried out, identifying the main problems that appear in this kind of studies and a commercial programme is used.Peer Reviewe

Pyothorax in a cat managed by intrathoracic debridement and postoperative ventilatory support

<p/> <p>A domestic-longhair cat presented due to lethargy, dyspnoea and hypersalivation. Radiographic examination revealed a bilateral pleural effusion, which was diagnosed as pyothorax based on cytological examination. Ultrasonographic examination revealed extensive loculations within the thoracic cavity. Exploratory sternotomy, under general anaesthesia, allowed the removal of approximately 100 ml of purulent fluid and debridement of a partially walled-off abscess and necrotic material from the pleural cavity. Postoperative positive-pressure ventilation was required due to severe respiratory depression. Intensive postoperative care, including intensive continuous monitoring, thoracostomy tube drainage and lavage of the pleural cavity and oesophagostomy tube feeding, was performed. Complete resolution of clinical signs had occurred by 15 days postoperatively. Clinical or radiographic abnormalities were not detected at a follow-up examination one year after surgery.</p

W196 and the ß -Hairpin Motif Modulate the Redox Switch of Conformation and the Biomolecular Interaction Network of the Apoptosis-Inducing Factor

The human apoptosis-inducing factor (hAIF) is a moonlight flavoprotein involved in mitochondrial respiratory complex assembly and caspase-independent programmed cell death. These functions might be modulated by its redox-linked structural transition that enables hAIF to act as a NAD(H/+) redox sensor. Upon reduction with NADH, hAIF undergoes a conformational reorganization in two specific insertions - the flexible regulatory C-loop and the 190-202 ß-harpin - promoting protein dimerization and the stabilization of a long-life charge transfer complex (CTC) that modulates its monomer-dimer equilibrium and its protein interaction network in healthy mitochondria. In this regard, here, we investigated the precise function of the ß-hairpin in the AIF conformation landscape related to its redox mechanism, by analyzing the role played by W196, a key residue in the interaction of this motif with the regulatory C-loop. Mutations at W196 decrease the compactness and stability of the oxidized hAIF, indicating that the ß-hairpin and C-loop coupling contribute to protein stability. Kinetic studies complemented with computational simulations reveal that W196 and the ß-hairpin conformation modulate the low efficiency of hAIF as NADH oxidoreductase, contributing to configure its active site in a noncompetent geometry for hydride transfer and to stabilize the CTC state by enhancing the affinity for NAD+. Finally, the ß-hairpin motif contributes to define the conformation of AIF's interaction surfaces with its physiological partners. These findings improve our understanding on the molecular basis of hAIF''s cellular activities, a crucial aspect for clarifying its associated pathological mechanisms and developing new molecular therapies

Exploring the origin of high optical absorption in conjugated polymers

Vezie, Michelle S. et al.The specific optical absorption of an organic semiconductor is critical to the performance of organic optoelectronic devices. For example, higher light-harvesting efficiency can lead to higher photocurrent in solar cells that are limited by sub-optimal electrical transport. Here, we compared over 40 conjugated polymers, and found that many different chemical structures share an apparent maximum in their extinction coefficients. However, a diketopyrrolopyrrole-thienothiophene copolymer shows remarkably high optical absorption at relatively low photon energies. By investigating its backbone structure and conformation with measurements and quantum chemical calculations, we find that the high optical absorption can be explained by the high persistence length of the polymer. Accordingly, we demonstrate high absorption in other polymers with high theoretical persistence length. Visible light harvesting may be enhanced in other conjugated polymers through judicious design of the structure.M.S.V. and S. F. are grateful to the Engineering and Physical Sciences Research Council (EPSRC) for a doctoral training award and a CDT studentship (EP/G037515/1) respectively. G.P. and S.C.H. acknowledge the University of Cyprus for funding through the internal grant "ORGANIC". B.D., A.G. and M.C.Q. acknowledge financial support from the Ministerio de Economía y Competitividad of Spain through projects CSD2010–00044 (Consolider NANOTHERM), SEV-2015_0496 and MAT2012–37776 and the European Research Council through project ERC CoG648901. I.M., R.S.A. and I.McC. acknowledge support from the European Commission FP7 Project ArtESun (604397). J.N. is grateful to the Royal Society for a Wolfson Merit Award, and acknowledges financial support from EPSRC grants EP/K030671/1, EP/K029843/1 and EP/J017361/1. The authors thank Dr. Isabel Alonso for performing supplementary ellipsometric measurements; we thank Prof. Thomas Kirchartz, Dr. Jarvist Moore Frost, Dr. Christian Müller and Dr. Isabel Alonso for helpful discussions.Peer reviewe

Micromorphology of egg and larva of Eristalis fratercula, with an updated key of Eristalis species with known third instar larvae (Diptera: Syrphidae)

The flower- or hoverflies (Syrphidae) and particularly the subfamily Eristalinae, are known by their importance as pollinators in both natural and agro-ecosystems. Similar to other saprophagous eristalines, the larvae of Eristalis Latreille, 1804 are characterized by an elongated anal segment and a telescopic breathing tube. These features have given them the common name of rat-tailed maggots and allow them to develop in liquid or semi-liquid media loaded with decaying organic material. This paper presents the first description of the egg and the third-instar larva of the boreal species Eristalis fratercula (Zetterstedt, 1838). Morphological studies are presented based on cryo-scanning electron microscopy (cryo-SEM). After comparison with all other known species of the genus Eristalis with described preimaginal morphology, we conclude that main diagnostic character of E. fratercula is the presence of long branched spicules located in the upper margin on the lateral lips. Finally, we provide an updated key that includes the 15 Eristalis species whose third larval stages have already been described

Comparing different geometries for photovoltaic-thermoelectric hybrid devices based on organics

Coupling thermoelectrics (TE) with photovoltaics (PV) has emerged as an approach to solid-state solar harvesting, directly converting light and infrared heat into electricity. In this work, we compare PV-TE hybrid devices based on organic semiconductors in three different geometries: a reflection geometry, a non-contact transmission geometry, and a contact transmission geometry. The temperature rises of films of common organic thermoelectric materials, including poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS), single-walled carbon nanotubes (swCNT), and poly[2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b]thiophene] (PBTTT), were measured in configurations representative of the proposed geometries. Because organic semiconductors possess broadband light absorption and low thermal conductivities, a significant rise in temperature was observed under illumination for all geometries. We find, however, that the best configuration is, in fact, the transmission contact mode because it sums two effects. Operating under 1 sun illumination, the temperature of a commercial organic PV module increased by ≈30 K, which leads to an enhancement in OPV performance compared to room temperature. After attaching a thermoelectric to the OPV module, losses from convection are reduced, and the OPV module heats up even more, further increasing its efficiency while additionally enabling thermoelectric generation. Finally, we calculate theoretical thermoelectric efficiencies for the materials and their respective power densities.The authors acknowledge financial support from the Spanish Ministry Science and Innovation through the “Severo Ochoa” Program for Centers of Excellence in R&D SEV-2015-0496 (FUNMAT) and CEX2019-000917-S (FUNFUTURE), and PGC2018-095411-B-I00 (RAINBOW) projects; from the Generalitat de Catalunya through grants 2017SGR488 and AGAUR 2018 PROD 00191; and from the European Research Council (ERC) under grant agreement no. 648901. This project has received funding from the European Union's Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement no. 713673. J. P. J. has received financial support through the “la Caixa” INPhINIT Fellowship Grant for Doctoral studies at Spanish Research Centers of Excellence (Grant code: LCF/BQ/IN17/11620035), “la Caixa” Banking Foundation (ID100010434), Barcelona, Spain. O. Z. A. acknowledges CONACYT-SENER for his PhD scholarship (no. 472571). J. P. J. acknowledges the departments of Physics, Chemistry and Geology of the Autonomous University of Barcelona (UAB) as coordinators of the PhD programme in Materials Science. The authors thank Dr A. Roig, Dr A. Laromaine and Dr D. Abol-Fotouh (ICMAB-CSIC) for the CNT:cellulose sample preparation and fruitful discussions. The authors thank Dr Aleksandr Perevedentsev for his help with sample preparation, and Mr Pau Molet for his help with the FTIR measurements. We acknowledge support of the publication fee by the CSIC Open Access Publication Support Initiative through its Unit of Information Resources for Research (URICI).Peer reviewe

Streptococcus pneumoniae TIGR4 flavodoxin: Structural and biophysical characterization of a novel drug target

Streptococcus pneumoniae (Sp) strain TIGR4 is a virulent, encapsulated serotype that causes bacteremia, otitis media, meningitis and pneumonia. Increased bacterial resistance and limited efficacy of the available vaccine to some serotypes complicate the treatment of diseases associated to this microorganism. Flavodoxins are bacterial proteins involved in several important metabolic pathways. The Sp flavodoxin (Spfld) gene was recently reported to be essential for the establishment of meningitis in a rat model, which makes SpFld a potential drug target. To facilitate future pharmacological studies, we have cloned and expressed SpFld in E. coli and we have performed an extensive structural and biochemical characterization of both the apo form and its active complex with the FMN cofactor. SpFld is a short-chain flavodoxin containing 146 residues. Unlike the well-characterized long-chain apoflavodoxins, the Sp apoprotein displays a simple two-state thermal unfolding equilibrium and binds FMN with moderate affinity. The X-ray structures of the apo and holo forms of SpFld differ at the FMN binding site, where substantial rearrangement of residues at the 91-100 loop occurs to permit cofactor binding. This work will set up the basis for future studies aiming at discovering new potential drugs to treat S. pneumoniae diseases through the inhibition of SpFld.We acknowledge financial support from BFU2010-16297 and BFU2010-19504 [Ministerio de Ciencia e Innovación Spain], BFU2013-47064-P, BIO2014-57314-REDT and CTQ2013-44367-C2-2-P [Ministerio de Economía y Competitividad, Spain], and DGA (Protein Targets B89). We also thank synchrotron radiation sources DLS (Oxford), and in particular beamline I04-1 (experiment number MX8035-3 and MX8035-11). The research leading to these results has also received funding from the FP7 (2007–2013) under BIOSTRUCTX-7687. A.R.C. was funded by a Banco Santander Central Hispano/Universidad de Zaragoza predoctoral fellowship. M. C-G was recipient of a predoctoral fellowship from the Government of Aragón.Peer Reviewe

Photoinduced p- to n-type Switching in Thermoelectric Polymer-Carbon Nanotube Composites

Dörling, Bernhard et al.UV-induced switching from p- to n-type character is demonstrated during deposition of carbon-nanotube–conjugated polymer composites. This opens the possibility to photopattern n-type regions within an otherwise p-type film, which has a potential for complementary circuitry or, as shown here, thermoelectric generators made from a single solution.The authors would like to thank Dr. Isabel Alonso (ICMAB) and Prof. Salvador Ferrer (ALBA) for assisting during the synchrotron sessions as well as for useful discussions. The authors would also like to acknowledge financial support from the Ministerio de Economía y Competitividad of Spain through projects CSD2010–00044 (Consolider NANOTHERM) and MAT2012–37776 and the European Research Council (ERC) under grant agreement nos. 637624 and 648901. C.M. gratefully acknowledges fi nancial support from Formas, the Knut and Alice Wallenberg Foundation through a Wallenberg Academy Fellowship. The transmission X-ray microscopy experiments were performed at MISTRAL beamline at ALBA Synchrotron with the collaboration of ALBA staff. A.E.B. thanks the Egyptian Ministry of Higher Education for funding through the Short-term Scientifi c Mission Postdoctoral program. The authors thank Dr. Elena Bailo (Witec) for assistance with the Raman imaging experiments.Peer reviewe