249 research outputs found
Photo-excitation of a light-harvesting supra-molecular triad: a Time-Dependent DFT study
We present the first time-dependent density-functional theory (TDDFT)
calculation on a light harvesting triad carotenoid-diaryl-porphyrin-C60.
Besides the numerical challenge that the ab initio study of the electronic
structure of such a large system presents, we show that TDDFT is able to
provide an accurate description of the excited state properties of the system.
In particular we calculate the photo-absorption spectrum of the supra-molecular
assembly, and we provide an interpretation of the photo-excitation mechanism in
terms of the properties of the component moieties. The spectrum is in good
agreement with experimental data, and provides useful insight on the
photo-induced charge transfer mechanism which characterizes the system.Comment: Accepted for publication on JPC, March 09th 200
Electron-Electron Interactions in Artificial Graphene
Recent advances in the creation and modulation of graphene-like systems are
introducing a science of "designer Dirac materials". In its original
definition, artificial graphene is a man-made nanostructure that consists of
identical potential wells (quantum dots) arranged in a adjustable honeycomb
lattice in the two-dimensional electron gas. As our ability to control the
quality of artificial graphene samples improves, so grows the need for an
accurate theory of its electronic properties, including the effects of
electron-electron interactions. Here we determine those effects on the band
structure and on the emergence of Dirac points
Bionic for training: Smart framework design for multisensor mechatronic platform validation
Home monitoring supports the continuous improvement of the therapy by sharing data with healthcare professionals. It is required when life-threatening events can still occur after hospital discharge such as neonatal apnea. However, multiple sources of external noise could affect data quality and/or increase the misdetection rate. In this study, we developed a mechatronic platform for sensor characterizations and a framework to manage data in the context of neonatal apnea. The platform can simulate the movement of the abdomen in different plausible newborn positions by merging data acquired simultaneously from three-axis accelerometers and infrared sensors. We simulated nine apnea conditions combining three different linear displacements and body postures in the presence of self-generated external noise, showing how it is possible to reduce errors near to zero in phenomena detection. Finally, the development of a smart 8Ws-based software and a customizable mobile application were proposed to facilitate data management and interpretation, classifying the alerts to guarantee the correct information sharing without specialized skills
Modal Analysis and Coupling in Metal-Insulator-Metal Waveguides
This paper shows how to analyze plasmonic metal-insulator-metal waveguides
using the full modal structure of these guides. The analysis applies to all
frequencies, particularly including the near infrared and visible spectrum, and
to a wide range of sizes, including nanometallic structures. We use the
approach here specifically to analyze waveguide junctions. We show that the
full modal structure of the metal-insulator-metal (MIM) waveguides--which
consists of real and complex discrete eigenvalue spectra, as well as the
continuous spectrum--forms a complete basis set. We provide the derivation of
these modes using the techniques developed for Sturm-Liouville and generalized
eigenvalue equations. We demonstrate the need to include all parts of the
spectrum to have a complete set of basis vectors to describe scattering within
MIM waveguides with the mode-matching technique. We numerically compare the
mode-matching formulation with finite-difference frequency-domain analysis and
find very good agreement between the two for modal scattering at symmetric MIM
waveguide junctions. We touch upon the similarities between the underlying
mathematical structure of the MIM waveguide and the PT symmetric quantum
mechanical pseudo-Hermitian Hamiltonians. The rich set of modes that the MIM
waveguide supports forms a canonical example against which other more
complicated geometries can be compared. Our work here encompasses the microwave
results, but extends also to waveguides with real metals even at infrared and
optical frequencies.Comment: 17 pages, 13 figures, 2 tables, references expanded, typos fixed,
figures slightly modifie
Lateral enamel growth in human incisors from Çatalhöyük in Turkey
Whereas the differences in lateral enamel growth between fossil and modern populations have been well documented in recent years, few studies report on the variability in perikymata counts and distribution between modern human populations. There is a need for information on modern human populations from a wide range of geographical regions and archaeological populations to determine whether existing patterns are representative. The aim of this paper is to document enamel surface microstructures in human teeth from a previously unknown region and time period comprehensively
Moving towards public policy-ready science: philosophical insights on the social-ecological systems perspective for conservation science
The social-ecological systems (SES) perspective stems from the need to rethink the ways humans relate to the environment, given the evidence that conventional conservation and management approaches are often ineffective in dealing with complex socio-environmental problems. The SES approach conceives non-scientific and scientific knowledge as equally necessary in the process of management and public policy formation. Thus, the adoption of the SES approach must also serve to make better decisions about what kind of science and technology would be ‘public policy-ready’ (as well as also ‘policy-relevant’); that is, a science oriented and conceived to provide concrete solutions to societal needs and demands. Here we review and reinterpret the SES perspective as a real paradigm change for conservation science. Under the lenses of philosophy, we try to untangle some weak points of the SES approach in order to advance to a conservation science closer to the process of science-based public policy creation and to enhance the intertwining with other types of knowledge. In this sense, we discuss how co-production of knowledge and decision-making process under the SES perspective are a huge step forward towards fulfilling the need to bring increasingly closer the spheres of science and policy, narrowing its interface.Fil: Sala, Juan Emilio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Centro Nacional Patagónico. Instituto de Biología de Organismos Marinos; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco"; ArgentinaFil: Torchio, Gabriela María. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Centro Nacional Patagónico. Instituto de Biología de Organismos Marinos; Argentin
Technical note: Skirt chamber – an open dynamic method for the rapid and minimally intrusive measurement of greenhouse gas emissions from peatlands
We present a reliable and robust open dynamic chamber for
measuring greenhouse gas exchange in peatlands with minimal disturbance of
the ground. This chamber, called the “skirt chamber”, is based on a
transparent plastic film placed above an open frame made of sparse
interwoven wires and expanded around the base of the chamber below a steel
chain that ensures contact to the ground, avoiding damage, trenching, and
cutting vegetation. Gas exchange is determined using a portable gas analyzer
from a mass balance in which the imperfect sealing of the chamber to the
ground is quantified through the injection of a methane pulse. The method was
tested on a pristine peatland dominated by Sphagnum magellanicum located on Navarino Island in
the subantarctic Magellanic ecoregion in Chile. Our results indicate that
the skirt chamber allowed the determination of methane fluxes and ecosystem
respiration in about 20 min, with a limit of detection of 0.185 mg
CH4 m−2 h−1 and 173 mg CO2 m−2 h−1,
respectively. We conclude that the skirt chamber is a minimally intrusive,
fast, portable, and inexpensive method that allows the quantification of
greenhouse gas emissions with high spatial resolution in remote locations
and without delay.</p
Scientists warning on the ecological effects of radioactive leaks on ecosystems
A nuclear leakage or tactical nuclear weapon use in a limited war could cause immense and long-lasting ecological consequences beyond the direct site of exposure. We call upon all scientists to communicate the importance of the environmental impacts of such an event to all life forms on Earth, including humankind. Changes to ecosystem structure and functioning and species extinctions would alter the biosphere for an unknown time frame. Radiation could trigger cascade effects in marine, atmospheric and terrestrial ecosystems of a magnitude far beyond human capabilities for mitigation or adaptation. Even a “tactical nuclear war” could alter planet Earth’s living boundaries, ending the current Anthropocene era
Fat1 deletion promotes hybrid EMT state, tumour stemness and metastasis
FAT1, which encodes a protocadherin, is one of the most frequently mutated genes in human cancers1–5. However, the role and the molecular mechanisms by which FAT1 mutations control tumour initiation and progression are poorly understood. Here, using mouse models of skin squamous cell carcinoma and lung tumours, we found that deletion of Fat1 accelerates tumour initiation and malignant progression and promotes a hybrid epithelial-to-mesenchymal transition (EMT) phenotype. We also found this hybrid EMT state in FAT1-mutated human squamous cell carcinomas. Skin squamous cell carcinomas in which Fat1 was deleted presented increased tumour stemness and spontaneous metastasis. We performed transcriptional and chromatin profiling combined with proteomic analyses and mechanistic studies, which revealed that loss of function of FAT1 activates a CAMK2–CD44–SRC axis that promotes YAP1 nuclear translocation and ZEB1 expression that stimulates the mesenchymal state. This loss of function also inactivates EZH2, promoting SOX2 expression, which sustains the epithelial state. Our comprehensive analysis identified drug resistance and vulnerabilities in FAT1-deficient tumours, which have important implications for cancer therapy. Our studies reveal that, in mouse and human squamous cell carcinoma, loss of function of FAT1 promotes tumour initiation, progression, invasiveness, stemness and metastasis through the induction of a hybrid EMT state
Senda Darwin Biological Station: Long-term ecological research at the interface between science and society
Indexación: Web of Science; Scielo.La Estación Biológica Senda Darwin (EBSD) constituye un centro de investigación inmerso en el paisaje rural del norte de la Isla de Chiloé (42º S), donde fragmentos del bosque siempreverde original coexisten con praderas de uso ganadero, turberas de Sphagnum, matorrales sucesionales, plantaciones de Eucalyptus y otras formaciones de origen antropogénico. Desde 1994 hemos realizado estudios de largo plazo centrados en algunas especies de plantas (e.g., Pilgerodendron uviferum D. Don) y animales (e.g., Aphrastura spinicauda Gmelin, Dromiciops gliroides [Thomas]) catalogados como amenazados o escasamente conocidos y en ecosistemas nativos de importancia regional y global (e.g., turberas de Sphagnum, bosque Valdiviano y Nordpatagónico). Las investigaciones han considerado las respuestas de las especies y de los ecosistemas frente al cambio antropogénico del paisaje y cambio climático, así como los efectos de diferentes formas de manejo. Este escenario es semejante al de otras regiones de Chile y Latinoamérica lo que da generalidad a nuestros resultados y modelos. En este período, investigadores asociados a la EBSD han producido más de un centenar de publicaciones en revistas nacionales e internacionales y 30 tesis de pre y postgrado. Entendiendo el papel clave de los seres humanos en los procesos ecológicos de la zona rural, la EBSD ha desarrollado un programa de educación ecológica y vinculación del avance científico con la sociedad local y nacional. La integración de la EBSD a la naciente red de Sitios de Estudios Socio-Ecológicos de Largo Plazo en Chile consolidará y fortalecerá la investigación básica y aplicada que realizamos para proyectarla hacia la siguiente década.Senda Darwin Biological Station (SDBS) is a field research center immersed in the rural landscape of northern Chiloé island (42º S), where remnant patches of the original evergreen forests coexist with open pastures, secondary successional shrublands, Sphagnum bogs, Eucalyptus plantations and other anthropogenic cover types, constituting an agricultural frontier similar to other regions in Chile and Latin America. Since 1994, we have conducted long-term research on selected species of plants (e.g., Pilgerodendron uviferum) and animals (e.g., Aphrastura spinicauda, Dromiciops glirioides) that are considered threatened, poorly known or important for their ecological functions in local ecosystems, and on ecosystems of regional and global relevance (e.g., Sphagnum bogs, North Patagonian and Valdivian rain forests). Research has assessed the responses of species and ecosystems to anthropogenic land-use change, climate change, and the impact of management. During this period, more than 100 scientific publications in national and international journals, and 30 theses (graduate and undergraduate) have been produced by scientists and students associated with SDBS. Because of our understanding of the key role that humans play in ecological processes at this agricultural frontier, since the establishment of SDBS we have been committed to creative research on the communication of science to society and ecological education. The integration of SDBS to the nascent Chilean network of long-term socio-ecological research will consolidate and strengthen basic and applied research to project our work into the next decade.http://ref.scielo.org/vbm4r
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