1,570 research outputs found
Do theoretical physicists care about the protein-folding problem?
The prediction of the biologically active native conformation of a protein is
one of the fundamental challenges of structural biology. This problem remains
yet unsolved mainly due to three factors: the partial knowledge of the
effective free energy function that governs the folding process, the enormous
size of the conformational space of a protein and, finally, the relatively
small differences of energy between conformations, in particular, between the
native one and the ones that make up the unfolded state.
Herein, we recall the importance of taking into account, in a detailed
manner, the many interactions involved in the protein folding problem (such as
steric volume exclusion, Ramachandran forces, hydrogen bonds, weakly polar
interactions, coulombic energy or hydrophobic attraction) and we propose a
strategy to effectively construct a free energy function that, including the
effects of the solvent, could be numerically tractable. It must be pointed out
that, since the internal free energy function that is mainly described does not
include the constraints of the native conformation, it could only help to reach
the 'molten globule' state. We also discuss about the limits and the lacks from
which suffer the simple models that we, physicists, love so much.Comment: 27 pages, 4 figures, LaTeX file, aipproc package. To be published in
the book: "Meeting on Fundamental Physics 'Alberto Galindo'", Alvarez-Estrada
R. F. et al. (Ed.), Madrid: Aula Documental, 200
A SLR on Customer Dropout Prediction
Dropout prediction is a problem that is being addressed with machine learning algorithms;
thus, appropriate approaches to address the dropout rate are needed. The selection of an algorithm to predict
the dropout rate is only one problem to be addressed. Other aspects should also be considered, such as
which features should be selected and how to measure accuracy while considering whether the features are
appropriate according to the business context in which they are employed. To solve these questions, the
goal of this paper is to develop a systematic literature review to evaluate the development of existing studies
and to predict the dropout rate in contractual settings using machine learning to identify current trends and
research opportunities. The results of this study identify trends in the use of machine learning algorithms
in different business areas and in the adoption of machine learning algorithms, including which metrics are
being adopted and what features are being applied. Finally, some research opportunities and gaps that could
be explored in future research are presented.info:eu-repo/semantics/publishedVersio
Agricultura de precisión con drones para control de enfermedades en la planta de arroz
This text deals with the detection of diseases in the rice plant, implementing precision agriculture with drones. They use a color sensor (camera) that will be able to identify the spectrum of colors in the crops, which means, recognize the area that is specifically affected within it, then the farmer can apply the necessary chemicals limited to this area, In this way, the current method of treating diseases in which pesticides are applied to the whole crop is eliminated, in effect they will reduced: costs in buying chemical products, soil contamination by not using an adequate dose. Also, improving the problem of eutrophication, currently that it is presented in Pedregal and improve the quality of the products for our food.Este texto trata sobre la detección de enfermedades en la planta de arroz, implementando agricultura de precisión con drones. Los cuales emplean un sensor de color (cámara) que será capaz de identificar el espectro de colores en los cultivos, es decir, reconocer el área específicamente afectada dentro del mismo, acto seguido, el agricultor podrá aplicar los químicos necesarios limitándose a esta zona, dicho de otra manera, se elimina el método actual de trata de enfermedades en el cual se aplican los pesticidas al cultivo entero, en efecto se reducirán: costos en compra de productos químicos, contaminación de suelos al no utilizar una dosis adecuada. Además, mejora el problema de eutrofización, a saber, que, actualmente presentamos uno en el área de pedregal y mejora la calidad de los productos para nuestra alimentació
The IsoDAR high intensity H2+ transport and injection tests
This technical report reviews the tests performed at the Best Cyclotron Systems, Inc. facility in regards to developing a cost effective ion source, beam line transport system, and acceleration system capable of high H[subscript 2][superscript +] current output for the IsoDAR (Isotope Decay At Rest) experiment. We begin by outlining the requirements for the IsoDAR experiment then provide overviews of the Versatile Ion Source (VIS), Low Energy Beam Transport (LEBT) system, spiral inflector, and cyclotron. The experimental measurements are then discussed and the results are compared with a thorough set of simulation studies. Of particular importance we note that the VIS proved to be a reliable ion source capable of generating a large amount of H[subscript 2][superscript +] current. The results suggest that with further upgrades, the VIS could potentially be a suitable candidate for IsoDAR. The conclusion outlines the key results from our tests and introduces the forthcoming work this technical report has motivated.National Science Foundation (U.S.) (PHY-1148134)Massachusetts Institute of Technology (Seed Fund)Massachusetts Institute of Technology (Bose Fellowship
MeerKLASS: MeerKAT Large Area Synoptic Survey
We discuss the ground-breaking science that will be possible with a wide area
survey, using the MeerKAT telescope, known as MeerKLASS (MeerKAT Large Area
Synoptic Survey). The current specifications of MeerKAT make it a great fit for
science applications that require large survey speeds but not necessarily high
angular resolutions. In particular, for cosmology, a large survey over for hours will potentially provide the first
ever measurements of the baryon acoustic oscillations using the 21cm intensity
mapping technique, with enough accuracy to impose constraints on the nature of
dark energy. The combination with multi-wavelength data will give unique
additional information, such as exquisite constraints on primordial
non-Gaussianity using the multi-tracer technique, as well as a better handle on
foregrounds and systematics. Such a wide survey with MeerKAT is also a great
match for HI galaxy studies, providing unrivalled statistics in the pre-SKA era
for galaxies resolved in the HI emission line beyond local structures at z >
0.01. It will also produce a large continuum galaxy sample down to a depth of
about 5\,Jy in L-band, which is quite unique over such large areas and
will allow studies of the large-scale structure of the Universe out to high
redshifts, complementing the galaxy HI survey to form a transformational
multi-wavelength approach to study galaxy dynamics and evolution. Finally, the
same survey will supply unique information for a range of other science
applications, including a large statistical investigation of galaxy clusters as
well as produce a rotation measure map across a huge swathe of the sky. The
MeerKLASS survey will be a crucial step on the road to using SKA1-MID for
cosmological applications and other commensal surveys, as described in the top
priority SKA key science projects (abridged).Comment: Larger version of the paper submitted to the Proceedings of Science,
"MeerKAT Science: On the Pathway to the SKA", Stellenbosch, 25-27 May 201
Proteomic characterization of human coronary thrombus in patients with ST-segment elevation acute myocardial infarction
Acute myocardial infarction with ST-segment elevation (STEMI) initiates with intraluminal thrombosis and results in total occlusion of the coronary artery. To date, characterization of the coronary thrombus proteome in STEMI patients has not been yet accomplished. Therefore, we aimed to perform an in-depth proteomic characterization of the human coronary thrombus by means of three different approaches: 2-DE followed by mass spectrometry (MALDI MS/MS), 1-DE combined either with liquid chromatography coupled to mass spectrometry in a MALDI TOF/TOF (LC-MALDI-MS/MS), or in a LTQ-Orbitrap (LC-ESI-MS/MS). This approach allowed us to identify a total of 708 proteins in the thrombus. Expression in coronary thrombi (n=20) of 14 proteins was verified, and the expression of fibrin and 6 cell markers (platelets, monocytes, neutrophils, eosinophils, T-cells and B-cells) quantified by selected reaction monitoring (SRM). A positive correlation of 5 proteins (fermitin homolog 3, thrombospondin-1, myosin-9, beta parvin and ras-related protein Rap-1b) with CD41 was found, pointing out the potential activation of a focal adhesion pathway within thrombus platelets. DIDO1 protein was found to correlate negatively with thrombus fibrin, and was found up-regulated in the plasma of these STEMI patients, which may constitute a starting point for further analyses in the search for biomarkers of thrombosis. BIOLOGICAL SIGNIFICANCE: The proteomic characterization of the human coronary thrombus may contribute to a better understanding of the mechanisms involved in acute coronary syndrome, and thus pave the road for the identification of new therapeutic targets that may help addressing this and other thrombotic diseases. A novel methodology to characterize thrombus composition and expression of a sub-group of proteins is hereby described, which allowed linking protein expression with cellular and ECM matrix composition of the thrombus. Five proteins (fermitin homolog 3, thrombospondin-1, myosin-9, beta parvin and ras-related protein Rap-1b) co-express within the human coronary thrombus with CD41, pointing out the potential activation of a focal adhesion pathway within thrombus platelets during thrombus formation. Besides, the protein death-inducer obliterator 1, found to be expressed within the human coronary thrombus, has been proved to increase in the plasma of STEMI patients, which constitutes an important starting point for further analyses in the search for biomarkers of thrombosis.This work was supported by grants from the Instituto de Salud Carlos III (FIS PI070537, PI11/02239), Fondos Feder, Redes temáticas de Investigación Cooperativa en Salud (RD12/0042/ 0071, RD06/0014/1015), and Fundación para la Investigación Sanitaria de Castilla-La Mancha (FISCAM PI2008-08, PI2008-28, PI2008-52). These results are lined up with the Spanish initiative on the Human Proteome Project (SpHPP). The CNIC is supported by the Spanish Ministerio de Economia y Competitividad and the Fundacion Pro-CNIC. We would like to thank Dr. Gloria Alvarez-Llamas for her kind suggestions for the manuscript; Gemma Barroso from Proteomic Unit, Hospital Nacional de Paraplejicos, for her help and dedication to this work, as well as Veronica Moral and Ana Gallardo from the same Unit, and TamaraSastre andCarmenBermudez for their technical support.S
Metabolic clustering analysis as a strategy for compound selection in the drug discovery pipeline for leishmaniasis
A lack of viable hits, increasing resistance, and limited knowledge on mode of action is hindering drug discovery for many diseases. To optimize prioritization and accelerate the discovery process, a strategy to cluster compounds based on more than chemical structure is required. We show the power of metabolomics in comparing effects on metabolism of 28 different candidate treatments for Leishmaniasis (25 from the GSK Leishmania box, two analogues of Leishmania box series, and amphotericin B as a gold standard treatment), tested in the axenic amastigote form of Leishmania donovani. Capillary electrophoresis–mass spectrometry was applied to identify the metabolic profile of Leishmania donovani, and principal components analysis was used to cluster compounds on potential mode of action, offering a medium throughput screening approach in drug selection/prioritization. The comprehensive and sensitive nature of the data has also made detailed effects of each compound obtainable, providing a resource to assist in further mechanistic studies and prioritization of these compounds for the development of new antileishmanial drugs
SHARDS: A global view of the star formation activity at z~0.84 and z~1.23
In this paper, we present a comprehensive analysis of star-forming galaxies
(SFGs) at intermediate redshifts (z~1). We combine the ultra-deep optical
spectro-photometric data from the Survey for High-z Absorption Red and Dead
Sources (SHARDS) with deep UV-to-FIR observations in the GOODS-N field.
Exploiting two of the 25 SHARDS medium-band filters, F687W17 and F823W17, we
select [OII] emission line galaxies at z~0.84 and z~1.23 and characterize their
physical properties. Their rest-frame equivalent widths
(EW([OII])), line fluxes, luminosities, star formation rates
(SFRs) and dust attenuation properties are investigated. The evolution of the
EW([OII]) closely follows the SFR density evolution of the
universe, with a trend of EW([OII])(1+z) up to
redshift z~1, followed by a possible flattening. The SF properties of the
galaxies selected on the basis of their [OII] emission are compared with
complementary samples of SFGs selected by their MIR and FIR emission, and also
with a general mass-selected sample of galaxies at the same redshifts. We
demonstrate observationally that the UVJ diagram (or, similarly, a cut in the
specific SFR) is only partially able to distinguish the quiescent galaxies from
the SFGs. The SFR-M relation is investigated for the different samples,
yelding a logarithmic slope ~1, in good agreement with previous results. The
dust attenuations derived from different SFR indicators (UV(1600), UV(2800),
[OII], IR) are compared and show clear trends with respect to both the stellar
mass and total SFR, with more massive and highly star-forming galaxies being
affected by stronger dust attenuation.Comment: Replaced to match the accepted version (24 pages, 1 table, 17
figures). Published in ApJ, 812, 155 (2015):
http://stacks.iop.org/0004-637X/812/15
- …