In order to obtain accurate thermodynamic properties for a chemical species, an effective and rigorous improvement on the common harmonic oscillator approximation is to solve the 1-D Schrodinger equation for hindered ...
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In order to obtain accurate thermodynamic properties for a chemical species, an effective and rigorous improvement on the common harmonic oscillator approximation is to solve the 1-D Schrodinger equation for hindered internal rotors (HIRs), which requires detailed information about the rotors (e.g., low-frequency vibrational modes needed to be treated as hindered internal rotors and the corresponding rotational axes, groups, internal symmetries, and hindrance potentials). Such a treatment is tedious, prone-to-error even for experts;thus, it is challenging to make it a de-facto procedure for general cases. In this work, we present a robust JAVA-based algorithm for automatically generating the HIR parameters using data from the electronic structure calculations. The algorithm has been shown to be reliable via different types of test cases. As a result, when combined with a HIR engine such as that of MSMC (https://***/site/msmccode), the scheme provides a powerful tool for calculating accurate thermodynamic data for a wide range of systems on-the-fly. (C) 2016 Elsevier B.V. All rights reserved.
An algorithm for solving the linear Cauchy problem for large systems of ordinary differential equations is presented. The algorithm for systems of first-order differential equations is implemented in the EDELWEISS cod...
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An algorithm for solving the linear Cauchy problem for large systems of ordinary differential equations is presented. The algorithm for systems of first-order differential equations is implemented in the EDELWEISS code with the possibility of parallel computations on supercomputers employing the MPI (Message Passing Interface) standard for the data exchange between parallel processes. The solution is represented by a series of orthogonal polynomials on the interval [0, 1]. The algorithm is characterized by simplicity and the possibility to solve nonlinear problems with a correction of the operator in accordance with the solution obtained in the previous iterative process.
Clinical algorithms can divide sophisticated treatment concepts for blunt trauma care into logical, systematic and easy to follow sequences. The presented algorithm for prehospital management of major and suspected bl...
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Clinical algorithms can divide sophisticated treatment concepts for blunt trauma care into logical, systematic and easy to follow sequences. The presented algorithm for prehospital management of major and suspected blunt trauma will assure appropriate trauma care within narrow time windows. The risk of over- or undertreatment is reduced for both, the suspected and confirmed diagnosis of polytrauma. Due to the lack of evident data the algorithm was confirmed via consent expert opinion of trauma surgeons, incorporating the ABC priorities and also the concept of the ATLS(R)-programme. The algorithm was validated in simulated scenarios and was by affirmed by the German Trauma Surgeons Task Force on Emergency Care under the regulations of a nominal group process via resolution.
Pancreatic fluid collections(PFCs),common sequelae of acute or chronic pancreatitis,are broadly classified as pancreatic pseudocysts or walled-off necrosis according to the revised Atlanta *** ultrasound(EUS)-guided d...
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Pancreatic fluid collections(PFCs),common sequelae of acute or chronic pancreatitis,are broadly classified as pancreatic pseudocysts or walled-off necrosis according to the revised Atlanta *** ultrasound(EUS)-guided drainage is often considered a standard first-line therapy preferable to surgical or interventional radiology approaches for patients with symptomatic ***-guided drainage is effective and successful;it has a technical success rate of90%-100%and a clinical success rate of 85%-98%.Recent studies have shown a 5%-30%adverse events(AEs)rate for the *** most common AEs include infection,hemorrhage,perforation and stent ***,a severe and sometimes deadly outcome,requires a well-organized and appropriate treatment ***,few studies have reported the integrated management of hemorrhage during EUS-guided drainage of *** a practical therapeutic strategy is an essential and significant step in standardized *** aim of this review is to describe the current situation of EUS-guided drainage of PFCs,including the etiology and treatment of procedure-related bleeding as well as current problems and future *** propose a novel and meaningful algorithm for systematically managing hemorrhage *** our limited knowledge,a multidisciplinary algorithm for managing EUS-guided drainage for PFC-related bleeding has not been previously reported.
Overlap coincidence in a self-affine tiling in R-d is equivalent to pure point dynamical spectrum of the tiling dynamical system. We interpret the overlap coincidence in the setting of substitution Delone set in R-d a...
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Overlap coincidence in a self-affine tiling in R-d is equivalent to pure point dynamical spectrum of the tiling dynamical system. We interpret the overlap coincidence in the setting of substitution Delone set in R-d and find an efficient algorithm to check the pure point dynamical spectrum. This algorithm is easy to implement into a computer program. We give the program and apply it to several examples. In the course of the proof of the algorithm, we show a variant of the conjecture of Urbanski (Solomyak (2006[40]) on the Hausdorff dimension of the boundaries of fractal tiles. (C) 2010 Elsevier Inc. All rights reserved.
The incapability of processing river surface flow velocities under low tracer density conditions is one of the limitations of the traditional Large-Scale Particle Image Velocimetry (LSPIV). This study developed a new ...
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The incapability of processing river surface flow velocities under low tracer density conditions is one of the limitations of the traditional Large-Scale Particle Image Velocimetry (LSPIV). This study developed a new LSPIV post-processing algorithm, Time Frequency Analysis (TiFA), to overcome such a limitation, enhance computational efficiency, and improve the accuracy of derived velocities. TiFA investigates the temporal joint distribution pattern of two velocity components at each location. By assuming that the valid velocities follow a quasi-normal distribution in the velocity time series, TiFA can quickly and accurately separate the valid velocities from background noise and outliers. The performance of TiFA was evaluated by comparing with other algorithms including Traditional LSPIV, Ensemble Correlation (EC), Large-Scale Particle Tracking Velocimetry (LSPTV), and traditional LSPIV pre-processed with Seeding Density Index (SDI) in an experimental hydraulic model and two field cases. TiFA showed the highest overall accuracy and lowest computation cost in data analysis, especially under low tracer density conditions. In addition, TiFA can automatically filter out velocity data from low-quality zones such as no-tracer zones and surface glare zones. TiFA also showed its ability in processing turbulent flow. In summary, TiFA demonstrated its great potential and competence of measuring river surface velocity under relatively low tracer density conditions, making it a valuable candidate for future applications. Plain Language Summary The traditional Large-Scale Particle Image Velocimetry (LSPIV) struggles to accurately identify river surface flow velocities from a video when there are few surface tracers in water. This study introduced a new post-processing algorithm called Time Frequency Analysis (TiFA) to address this issue, improve the data process speed, and enhance the measurement accuracy. TiFA assumes that the two components of valid velocities follow a quasi-n
Aim: The purpose of the study was to establish an algorithm for the reconstruction of soft tissue defects of the distal lower leg, ankle and heel. Method: 81 patients presenting with soft tissue defects in these regio...
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Aim: The purpose of the study was to establish an algorithm for the reconstruction of soft tissue defects of the distal lower leg, ankle and heel. Method: 81 patients presenting with soft tissue defects in these regions underwent flap coverage. The average age was 44.1 years. Small defects (up to 4 x 4 cm) were covered by local flaps. The neurovascular sural flap was the predominant flap procedure for medium size defects (up to 10 x 15 cm). Free flaps were used for larger defects or in cases of stenosis or occlusion of the peroneal artery. Femoro-crural bypasses were performed in three cases to improve peripheral arterial perfusion. Results: The reconstructive goals were achieved in 95% of the cases by performing reconstruction according to the established algorithm. Minor complications occurred in 29.6% of the cases. Conclusion: The results appear to be very good considering a patient population with complex and predominantly contaminated wounds. A preoperative angiography represents an important part of the algorithm for flap reconstruction to detect abnormal arterial vascular conditions and thus to plan vascular reconstruction prior to or simultaneously with free flap coverage. Additionally, a non-patency of the peroneal artery represents a contraindication for sural flaps.
The methods are suggested for analyzing the data of three-component geomagnetic observations in order to automatically recognize time anomalies-pulsations in the geomagnetic field. These methods include preliminary ba...
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The methods are suggested for analyzing the data of three-component geomagnetic observations in order to automatically recognize time anomalies-pulsations in the geomagnetic field. These methods include preliminary bandpass filtering of the data, calculating the eigenvalues of the covariance matrix of magnetic components in a moving time window, computing the generalized variance of the eigenvalues (generalization is understood as raising to a power that is distinct from the traditional power of 2), averaging the variance, and identifying the time intervals marked by the presence of pulsations by the criterion of the averaged variance of eigenvalues to exceed a certain threshold specified by the fuzzy-logic methods.
Introduction Increased biochemical bone turnover markers (BTMs) measured in serum are associated with bone loss, increased fracture risk and poor treatment adherence, but their role in clinical practice is presently u...
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Introduction Increased biochemical bone turnover markers (BTMs) measured in serum are associated with bone loss, increased fracture risk and poor treatment adherence, but their role in clinical practice is presently unclear. The aim of this consensus group report is to provide guidance to clinicians on how to use BTMs in patient evaluation in postmenopausal osteoporosis, in fracture risk prediction and in the monitoring of treatment efficacy and adherence to osteoporosis medication. Methods A working group with clinical scientists and osteoporosis specialists was invited by the Scientific Advisory Board of European Society on Clinical and Economic Aspects of Osteoporosis, Osteoarthritis and Musculoskeletal Diseases (ESCEO). Results Serum bone formation marker PINP and resorption marker beta CTX-I are the preferred markers for evaluating bone turnover in the clinical setting due to their specificity to bone, performance in clinical studies, wide use and relatively low analytical variability. BTMs cannot be used to diagnose osteoporosis because of low sensitivity and specificity, but can be of value in patient evaluation where high values may indicate the need to investigate some causes of secondary osteoporosis. Assessing serum levels of beta CTX-I and PINP can improve fracture prediction slightly, with a gradient of risk of about 1.2 per SD increase in the bone marker in addition to clinical risk factors and bone mineral density. For an individual patient, BTMs are not useful in projecting bone loss or treatment efficacy, but it is recommended that serum PINP and beta CTX-I be used to monitor adherence to oral bisphosphonate treatment. Suppression of the BTMs greater than the least significant change or to levels in the lower half of the reference interval in young and healthy premenopausal women is closely related to treatment adherence. Conclusion In conclusion, the currently available evidence indicates that the principal clinical utility of BTMs is for monitorin
The general equilibrium model is approximated as a piecewise linear convex model and solved from the point of view of welfare economics using linear programming and fixed point methods.
The general equilibrium model is approximated as a piecewise linear convex model and solved from the point of view of welfare economics using linear programming and fixed point methods.
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