49,236 research outputs found
Recommended from our members
Temperature field forecast in concrete dam with the use of ARIMA models and the finite element method
This article describes a forecasting method, with the application of statistical models Auto-Regressive Integrated Moving Average (ARIMA) and a heat conduction model to forecast the temperature field in a buttress block of Itaipu dam. Monthly temperature series in 2010-2014 of surface thermometers to block were fitted with cubic splines and the series, now daily, were used as inputs for specific ARIMA models to produce forecasts as outputs. These outputs were used as boundary conditions to the thermal model of the block and this solved by the Finite Element Method (FEM). Obtained thus predicted temperature fields of block. The error MAPE between the values obtained by MEF and the real, in a test point, (where is an internal thermometer) measured the performance of the forecast of ARIMA models, and this was satisfactory, achieving near 15%. The proposed method has an innovative character for thermal analysis structures, in particular in concrete dams
py4DSTEM: a software package for multimodal analysis of four-dimensional scanning transmission electron microscopy datasets
Scanning transmission electron microscopy (STEM) allows for imaging,
diffraction, and spectroscopy of materials on length scales ranging from
microns to atoms. By using a high-speed, direct electron detector, it is now
possible to record a full 2D image of the diffracted electron beam at each
probe position, typically a 2D grid of probe positions. These 4D-STEM datasets
are rich in information, including signatures of the local structure,
orientation, deformation, electromagnetic fields and other sample-dependent
properties. However, extracting this information requires complex analysis
pipelines, from data wrangling to calibration to analysis to visualization, all
while maintaining robustness against imaging distortions and artifacts. In this
paper, we present py4DSTEM, an analysis toolkit for measuring material
properties from 4D-STEM datasets, written in the Python language and released
with an open source license. We describe the algorithmic steps for dataset
calibration and various 4D-STEM property measurements in detail, and present
results from several experimental datasets. We have also implemented a simple
and universal file format appropriate for electron microscopy data in py4DSTEM,
which uses the open source HDF5 standard. We hope this tool will benefit the
research community, helps to move the developing standards for data and
computational methods in electron microscopy, and invite the community to
contribute to this ongoing, fully open-source project
Comprehensive structural model of the mechanochemical cycle of a mitotic motor highlights molecular adaptations in the kinesin family
Kinesins are responsible for a wide variety of microtubule-based, ATP-dependent
functions. Their motor domain drives these activities but the molecular adaptations
that specify these diverse and essential cellular activities are poorly understood. It
has been assumed that the first identified kinesin - the transport motor kinesin-1 – is
the mechanistic paradigm for the entire superfamily, but accumulating evidence
suggests that this is not the case. To address the deficits in our understanding of the
molecular basis of functional divergence within the kinesin superfamily, we studied
kinesin-5s, which are essential mitotic motors whose inhibition blocks cell division.
Using cryo-electron microscopy and subnanometer resolution structure
determination, we have visualised conformations of microtubule-bound human
kinesin-5 motor domain at successive steps in its ATPase cycle. Following ATP
hydrolysis, nucleotide-dependent conformational changes in the active site are
allosterically propagated into rotations of the motor domain and uncurling of the drugbinding
loop L5. In addition, the mechanical neck-linker element that is crucial for
motor stepping undergoes discrete, ordered displacements. We also observed large
reorientations of the motor N-terminus that indicate its importance for kinesin-5
function through control of neck-linker conformation. A kinesin-5 mutant lacking this
N-terminus is enzymatically active, and ATP-dependent neck-linker movement and
motility is defective although not ablated. All these aspects of kinesin-5
mechanochemistry are distinct from kinesin-1. Our findings directly demonstrate the
regulatory role of the kinesin-5 N-terminus in collaboration with the motor’s structured
neck-linker, and highlight the multiple adaptations within kinesin motor domains that
tune their mechanochemistries according to distinct functional requirements
Working Notes from the 1992 AAAI Workshop on Automating Software Design. Theme: Domain Specific Software Design
The goal of this workshop is to identify different architectural approaches to building domain-specific software design systems and to explore issues unique to domain-specific (vs. general-purpose) software design. Some general issues that cut across the particular software design domain include: (1) knowledge representation, acquisition, and maintenance; (2) specialized software design techniques; and (3) user interaction and user interface
SDSL-ESR-based protein structure characterization
As proteins are key molecules in living cells, knowledge about their structure can provide important insights and applications in science, biotechnology, and medicine. However, many protein structures are still a big challenge for existing high-resolution structure-determination methods, as can be seen in the number of protein structures published in the Protein Data Bank. This is especially the case for less-ordered, more hydrophobic and more flexible protein systems. The lack of efficient methods for structure determination calls for urgent development of a new class of biophysical techniques. This work attempts to address this problem with a novel combination of site-directed spin labelling electron spin resonance spectroscopy (SDSL-ESR) and protein structure modelling, which is coupled by restriction of the conformational spaces of the amino acid side chains. Comparison of the application to four different protein systems enables us to generalize the new method and to establish a general procedure for determination of protein structur
- …