scholarly journals Estimation of the Impact of Basement Heterogeneity on Thermal History Reconstruction: The Western Siberian Basin

Minerals ◽  
2022 ◽  
Vol 12 (1) ◽  
pp. 97
Author(s):  
Georgy Alexandrovich Peshkov ◽  
Evgeny Mikhailovich Chekhonin ◽  
Dimitri Vladilenovich Pissarenko
Keyword(s):  
Thermal History ◽  
Structural Information ◽  
Thermal Evolution ◽  
Three Dimensional ◽  
Full Rank ◽  
Evaluation Tool ◽  
Basin Modelling ◽  
Simultaneous Reconstruction ◽  
Simplifying Assumptions ◽  
The Impact

Some of the simplifying assumptions frequently used in basin modelling may adversely impact the quality of the constructed models. One such common assumption consists of using a laterally homogeneous crustal basement, despite the fact that lateral variations in its properties may significantly affect the thermal evolution of the model. We propose a new method for the express evaluation of the impact of the basement’s heterogeneity on thermal history reconstruction and on the assessment of maturity of the source rock. The proposed method is based on reduced-rank inversion, aimed at a simultaneous reconstruction of the petrophysical properties of the heterogeneous basement and of its geometry. The method uses structural information taken from geological maps of the basement and gravity anomaly data. We applied our method to a data collection from Western Siberia and carried out a two-dimensional reconstruction of the evolution of the basin and of the lithosphere. We performed a sensitivity analysis of the reconstructed basin model to assess the effect of uncertainties in the basement’s density and its thermal conductivity for the model’s predictions. The proposed method can be used as an express evaluation tool to assess the necessity and relevance of laterally heterogeneous parametrisations prior to a costly three-dimensional full-rank basin modelling. The method is generally applicable to extensional basins except for salt tectonic provinces.

scholarly journals SphereCon—a method for precise estimation of residue relative solvent accessible area from limited structural information

2020 ◽  
Vol 36 (11) ◽  
pp. 3372-3378
Author(s):  
Alexander Gress ◽  
Olga V Kalinina
Keyword(s):  
Protein Function ◽  
Structural Information ◽  
Solvent Accessibility ◽  
Three Dimensional ◽  
Structural Data ◽  
Supplementary Information ◽  
Dimensional Structure ◽  
Relative Solvent Accessibility ◽  
Precise Measure ◽  
The Impact

Abstract Motivation In proteins, solvent accessibility of individual residues is a factor contributing to their importance for protein function and stability. Hence one might wish to calculate solvent accessibility in order to predict the impact of mutations, their pathogenicity and for other biomedical applications. A direct computation of solvent accessibility is only possible if all atoms of a protein three-dimensional structure are reliably resolved. Results We present SphereCon, a new precise measure that can estimate residue relative solvent accessibility (RSA) from limited data. The measure is based on calculating the volume of intersection of a sphere with a cone cut out in the direction opposite of the residue with surrounding atoms. We propose a method for estimating the position and volume of residue atoms in cases when they are not known from the structure, or when the structural data are unreliable or missing. We show that in cases of reliable input structures, SphereCon correlates almost perfectly with the directly computed RSA, and outperforms other previously suggested indirect methods. Moreover, SphereCon is the only measure that yields accurate results when the identities of amino acids are unknown. A significant novel feature of SphereCon is that it can estimate RSA from inter-residue distance and contact matrices, without any information about the actual atom coordinates. Availability and implementation https://github.com/kalininalab/spherecon. Contact [email protected] Supplementary information Supplementary data are available at Bioinformatics online.

Numerical modeling of the thermal state of Earth after the Moon-forming impact event

2021 ◽  
Author(s):  
Laetitia Allibert ◽  
Nicole Güldemeister ◽  
Lukas Manske ◽  
Miki Nakajima ◽  
Kai Wünnemann
Keyword(s):  
Thermal State ◽  
Initial Conditions ◽  
Thermal Evolution ◽  
Three Dimensional ◽  
Impact Angle ◽  
Impact Event ◽  
The Moon ◽  
Magma Ocean ◽  
Self Gravity ◽  
The Impact

<p align="justify">Planetary collisions play an important role in the compositional and thermal evolution of planetary systems and such collisions are caracteristics of the final stage of planetary formation. The Moon-forming impact event is thought to (re)set the conditions for the subsequent thermochemical evolution of Earth and Moon. Large parts of proto-Earth are thought to melt as a consequence of the impact [e.g.1] and the extent of melting affects the evolution of the Earth’s interior and atmosphere. It is then critical to address the initial conditions of the proto-Earth and the volume and shape of a possible magma ocean after the impact. Previously, the Moon-forming giant impact was modeled with mesh-free so-called smoothed particle hydrodynamics (SPH [1, 2, 3]). In this study, we, in contrast, carried out numerical simulations of the Moon-forming impact event considering different impact scenarios with the three-dimensional (3D) iSALE code [4, 5], that tends to be more accurate in the description of thermodynamics and shock waves than SPH simulations. We also compare simulation results from our iSALE code with SPH models for benchmarking ([1]) because SPH uses self-gravity, whereas iSALE uses central gravity. We vary the impact angle (15° to 90°) and impact velocities (12 to 20 km/s). In order to quantify the volume of impact-induced melt, we use the so-called peak-shock pressure approach (‘Tracer method’) that has been used in several modeling studies [6,7] and is described in more detail by [8].</p> <p align="justify">The benchmark study shows a good agreement of the two different numerical approaches with respect to pressure evolution. However the production of a magma ocean show some differences that need to be further explored, with notably the effects of considering central gravity instead of self-gravity into iSALE 3D simulations.</p> <p align="justify"> </p> <p align="justify"><strong>Acknowledgments</strong>: We gratefully thank the iSALE developers, including Gareth Collins, Kai Wünnemann, Dirk Elbeshausen, Boris Ivanov and Jay Melosh and Thomas Davison for the development of the pysaleplot tool. We also thank the Deutsche Forschungsgemeinschaft (SFB-TRR 170, subproject C2 and C4) for funding.</p> <p align="justify"> </p> <p align="justify"><strong>References</strong>:[1] Nakajima M. and Stevenson D. J. (2015) EPSL, 427, 286-295. [2] Canup R. M. et al. (2013) ICARUS 222, 200-219. [3] Canup R, M. (2004) Science 338, 1052-1054. [4] Collins G. S. et al. (2004) Meteoritics & Planet. Sci., 39, 217-231. [5] Wünnemann K. (2006) ICARUS 180, 514-527. [6] Wünnemann K. et al. (2008) EPSL 269, 529-538. [7] Pierazzo et al. (1997) ICARUS 127, 408-423. [8] Manske L. et al. (2018) 49th LPSC, abstract# 2269.[11] Pierazzo and Melosh (1999) EPSL 165, 163-176</p>

Two-Dimensional Crystallization of Tetanus Toxin

1985 ◽  
Vol 43 ◽  
pp. 528-529
Author(s):  
Jeffry A. Reidler ◽  
John P. Robinson
Keyword(s):  
Electron Microscopy ◽  
Tetanus Toxin ◽  
Structural Information ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Membrane Interface ◽  
3D Reconstructions ◽  
Cellular Receptors ◽  
Computer Reconstruction ◽  
2D Crystals

We have prepared two-dimensional (2D) crystals of tetanus toxin using procedures developed by Uzgiris and Kornberg for the directed production of 2D crystals of monoclonal antibodies at an antigen-phospholipid monolayer interface. The tetanus toxin crystals were formed using a small mole fraction of the natural receptor, GT1, incorporated into phosphatidyl choline monolayers. The crystals formed at low concentration overnight. Two dimensional crystals of this type are particularly useful for structure determination using electron microscopy and computer image refinement. Three dimensional (3D) structural information can be derived from these crystals by computer reconstruction of photographs of toxin crystals taken at different tilt angles. Such 3D reconstructions may help elucidate the mechanism of entry of the enzymatic subunit of toxins into cells, particularly since these crystals form directly on a membrane interface at similar concentrations of ganglioside GT1 to the natural cellular receptors.

EMCAT: An automatic image-processing system for electron-microscopic tomography

1994 ◽  
Vol 52 ◽  
pp. 418-419
Author(s):  
Weiping Liu ◽  
John W. Sedat ◽  
David A. Agard
Keyword(s):  
Image Processing ◽  
Structural Information ◽  
Imaging Technique ◽  
Three Dimensional ◽  
Processing System ◽  
Electron Microscopic ◽  
Data Set ◽  
Ordered Structures ◽  
Automatic Image Processing ◽  
Em Tomography

Any real world object is three-dimensional. The principle of tomography, which reconstructs the 3-D structure of an object from its 2-D projections of different view angles has found application in many disciplines. Electron Microscopic (EM) tomography on non-ordered structures (e.g., subcellular structures in biology and non-crystalline structures in material science) has been exercised sporadically in the last twenty years or so. As vital as is the 3-D structural information and with no existing alternative 3-D imaging technique to compete in its high resolution range, the technique to date remains the kingdom of a brave few. Its tedious tasks have been preventing it from being a routine tool. One keyword in promoting its popularity is automation: The data collection has been automated in our lab, which can routinely yield a data set of over 100 projections in the matter of a few hours. Now the image processing part is also automated. Such automations finish the job easier, faster and better.

Analyzing the Impact of X-Ray Tomography on the Reliability of Integrated Circuits

2015 ◽  
Author(s):  
Halit Dogan ◽  
Md Mahbub Alam ◽  
Navid Asadizanjani ◽  
Sina Shahbazmohamadi ◽  
Domenic Forte ◽  
...  
Keyword(s):  
Integrated Circuits ◽  
Integrated Circuit ◽  
3D Imaging ◽  
Three Dimensional ◽  
Serial Sectioning ◽  
Promising Technique ◽  
Flash Memories ◽  
X Ray ◽  
3D Information ◽  
The Impact

Abstract X-ray tomography is a promising technique that can provide micron level, internal structure, and three dimensional (3D) information of an integrated circuit (IC) component without the need for serial sectioning or decapsulation. This is especially useful for counterfeit IC detection as demonstrated by recent work. Although the components remain physically intact during tomography, the effect of radiation on the electrical functionality is not yet fully investigated. In this paper we analyze the impact of X-ray tomography on the reliability of ICs with different fabrication technologies. We perform a 3D imaging using an advanced X-ray machine on Intel flash memories, Macronix flash memories, Xilinx Spartan 3 and Spartan 6 FPGAs. Electrical functionalities are then tested in a systematic procedure after each round of tomography to estimate the impact of X-ray on Flash erase time, read margin, and program operation, and the frequencies of ring oscillators in the FPGAs. A major finding is that erase times for flash memories of older technology are significantly degraded when exposed to tomography, eventually resulting in failure. However, the flash and Xilinx FPGAs of newer technologies seem less sensitive to tomography, as only minor degradations are observed. Further, we did not identify permanent failures for any chips in the time needed to perform tomography for counterfeit detection (approximately 2 hours).

Pushing the Envelope

2018 ◽  
Author(s):  
Eaton E. Lattman ◽  
Thomas D. Grant ◽  
Edward H. Snell
Keyword(s):  
High Resolution ◽  
Electron Density ◽  
Structural Information ◽  
Hydration Shell ◽  
Three Dimensional ◽  
Scattering Data ◽  
Saxs Data ◽  
Electron Density Function ◽  
Angle Scattering ◽  
Iterative Structure

Direct electron density determination from SAXS data opens up new opportunities. The ability to model density at high resolution and the implicit direct estimation of solvent terms such as the hydration shell may enable high-resolution wide angle scattering data to be used to calculate density when combined with additional structural information. Other diffraction methods that do not measure three-dimensional intensities, such as fiber diffraction, may also be able to take advantage of iterative structure factor retrieval. While the ability to reconstruct electron density ab initio is a major breakthrough in the field of solution scattering, the potential of the technique has yet to be fully uncovered. Additional structural information from techniques such as crystallography, NMR, and electron microscopy and density modification procedures can now be integrated to perform advanced modeling of the electron density function at high resolution, pushing the boundaries of solution scattering further than ever before.

scholarly journals Burial and Exhumation History of the Lujing Uranium Ore Field, Zhuguangshan Complex, South China: Evidence from Low-Temperature Thermochronology

Minerals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 116
Author(s):  
Yue Sun ◽  
Barry P. Kohn ◽  
Samuel C. Boone ◽  
Dongsheng Wang ◽  
Kaixing Wang
Keyword(s):  
Early Cretaceous ◽  
Late Cretaceous ◽  
South China ◽  
Thermal History ◽  
Fission Track ◽  
Thermal Evolution ◽  
Negative Relationship ◽  
The Tibetan Plateau ◽  
Uranium Ore ◽  
Production Area

The Zhuguangshan complex hosts the main uranium production area in South China. We report (U-Th)/He and fission track thermochronological data from Triassic–Jurassic mineralized and non-mineralized granites and overlying Cambrian and Cretaceous sandstone units from the Lujing uranium ore field (LUOF) to constrain the upper crustal tectono-thermal evolution of the central Zhuguangshan complex. Two Cambrian sandstones yield reproducible zircon (U-Th)/He (ZHe) ages of 133–106 Ma and low effective uranium (eU) content (270–776 ppm). One Upper Cretaceous sandstone and seven Mesozoic granites are characterized by significant variability in ZHe ages (154–83 Ma and 167–36 Ma, respectively), which show a negative relationship with eU content (244–1098 ppm and 402–4615 ppm), suggesting that the observed age dispersion can be attributed to the effect of radiation damage accumulation on 4He diffusion. Correspondence between ZHe ages from sandstones and granites indicates that surrounding sedimentary rocks and igneous intrusions supplied sediment to the Cretaceous–Paleogene Fengzhou Basin lying adjacent to the LUOF. The concordance of apatite fission track (AFT) central ages (61–54 Ma) and unimodal distributions of confined track lengths of five samples from different rock units suggest that both sandstone and granite samples experienced a similar cooling history throughout the entire apatite partial annealing zone (~110–60 °C). Apatite (U-Th-Sm)/He (AHe) ages from six non-mineralized samples range from 67 to 19 Ma, with no apparent correlation to eU content (2–78 ppm). Thermal history modeling of data suggests that the LUOF experienced relatively rapid Early Cretaceous cooling. In most samples, this was followed by the latest Early Cretaceous–Late Cretaceous reheating and subsequent latest Late Cretaceous–Recent cooling to surface temperatures. This history is considered as a response to the transmission of far-field stresses, involving alternating periods of regional compression and extension, related to paleo-Pacific plate subduction and subsequent rollback followed by Late Paleogene–Recent India–Asia collision and associated uplift and eastward extrusion of the Tibetan Plateau. Thermal history models are consistent with the Fengzhou Basin having been significantly more extensive in the Late Cretaceous–Early Paleogene, covering much of the LUOF. Uranium ore bodies which may have formed prior to the Late Cretaceous may have been eroded by as much as ~1.2 to 4.8 km during the latest Late Cretaceous–Recent denudation.

scholarly journals Numerical simulation of the impact of an integrated renovation project on the Maowei Sea hydrodynamic environment

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Cui Wang ◽  
Ling Cai ◽  
Yaojian Wu ◽  
Yurong Ouyang
Keyword(s):  
Water Exchange ◽  
Land Reclamation ◽  
Three Dimensional ◽  
Exchange Capacity ◽  
Reclamation Project ◽  
Hydrodynamic Environment ◽  
Sea Area ◽  
Water Quality Models ◽  
The Impact ◽  
Main Factor

AbstractIntegrated renovation projects are important for marine ecological environment protection. Three-dimensional hydrodynamics and water quality models are developed for the Maowei Sea to assess the hydrodynamic environment base on the MIKE3 software with high resolution meshes. The results showed that the flow velocity changed minimally after the project, decreasing by approximately 0.12 m/s in the east of the Maowei Sea area and increasing by approximately 0.01 m/s in the northeast of the Shajing Port. The decrease in tidal prism (~ 2.66 × 106 m3) was attributed to land reclamation, and accounted for just 0.86% of the pre-project level. The water exchange half-life increased by approximately 1 day, implying a slightly reduced water exchange capacity. Siltation occurred mainly in the reclamation and dredging areas, amounting to back-silting of approximately 2 cm/year. Reclamation project is the main factor causing the decrease of tidal volume and weakening the hydrodynamics in Maowei Sea. Adaptive management is necessary for such a comprehensive regulation project. According to the result, we suggest that reclamation works should strictly prohibit and dredging schemes should optimize in the subsequent regulation works.

scholarly journals Mechanical Behavior of Hydroxyapatite-Chitosan Composite: Effect of Processing Parameters

Minerals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 213
Author(s):  
Hamid Ait Said ◽  
Hassan Noukrati ◽  
Hicham Ben Youcef ◽  
Ayoub Bayoussef ◽  
Hassane Oudadesse ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Compressive Strength ◽  
Mechanical Strength ◽  
Bone Repair ◽  
Mechanical Stability ◽  
Three Dimensional ◽  
Processing Parameters ◽  
Composite Effect ◽  
Solid Liquid ◽  
The Impact

Three-dimensional hydroxyapatite-chitosan (HA-CS) composites were formulated via solid-liquid technic and freeze-drying. The prepared composites had an apatitic nature, which was demonstrated by X-ray diffraction and Infrared spectroscopy analyses. The impact of the solid/liquid (S/L) ratio and the content and the molecular weight of the polymer on the composite mechanical strength was investigated. An increase in the S/L ratio from 0.5 to 1 resulted in an increase in the compressive strength for HA-CSL (CS low molecular weight: CSL) from 0.08 ± 0.02 to 1.95 ± 0.39 MPa and from 0.3 ± 0.06 to 2.40 ± 0.51 MPa for the HA-CSM (CS medium molecular weight: CSM). Moreover, the increase in the amount (1 to 5 wt%) and the molecular weight of the polymer increased the mechanical strength of the composite. The highest compressive strength value (up to 2.40 ± 0.51 MPa) was obtained for HA-CSM (5 wt% of CS) formulated at an S/L of 1. The dissolution tests of the HA-CS composites confirmed their cohesion and mechanical stability in an aqueous solution. Both polymer and apatite are assumed to work together, giving the synergism needed to make effective cylindrical composites, and could serve as a promising candidate for bone repair in the orthopedic field.

scholarly journals Decision-Making Processes in Controlling Exposure to Sunlight Supported by Simulation Tools: A Case Study in Warm Weather

Energies ◽  
2021 ◽  
Vol 14 (14) ◽  
pp. 4100
Author(s):  
Mariana Huskinson ◽  
Antonio Galiano-Garrigós ◽  
Ángel Benigno González-Avilés ◽  
M. Isabel Pérez-Millán
Keyword(s):  
Decision Making ◽  
Global Analysis ◽  
Energy Performance ◽  
Information Modeling ◽  
The European Union ◽  
Evaluation Tool ◽  
Simulation Tools ◽  
Building Information ◽  
The Impact

Improving the energy performance of existing buildings is one of the main strategies defined by the European Union to reduce global energy costs. Amongst the actions to be carried out in buildings to achieve this objective is working with passive measures adapted to each type of climate. To assist designers in the process of finding appropriate solutions for each building and location, different tools have been developed and since the implementation of building information modeling (BIM), it has been possible to perform an analysis of a building’s life cycle from an energy perspective and other types of analysis such as a comfort analysis. In the case of Spain, the first BIM environment tool has been implemented that deals with the global analysis of a building’s behavior and serves as an alternative to previous methods characterized by their lack of both flexibility and information offered to designers. This paper evaluates and compares the official Spanish energy performance evaluation tool (Cypetherm) released in 2018 using a case study involving the installation of sunlight control devices as part of a building refurbishment. It is intended to determine how databases and simplifications affect the designer’s decision-making. Additionally, the yielded energy results are complemented by a comfort analysis to explore the impact of these improvements from a users’ wellbeing viewpoint. At the end of the process the yielded results still confirm that the simulation remains far from reality and that simulation tools can indeed influence the decision-making process.

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