Miracle-dz/UniFAR-FTUs huggingface dataset:
Ab Initio Calculation of 17O NMR Parameters of Tricluster Oxygen Sites in Borosilicate Glasses

O NMR parameters of the tricluster oxygen atoms in borosilicate system were theoretically predicted by means of molecular orbital calculations. Various cluster models containing tricluster oxygen atoms were constructed. In the cluster models prepared from borate crystals, the tricluster oxygen atoms surrounded by tetrahedral boron atoms (B[4]) were in a similar isotropic chemical shift i compared to the bridging oxygen atoms in B[4] O B[4] bridges. In quadrupole coupling constant CQ and asymmetry parameter , the tricluster oxygen atoms were different from the bridging oxygen atoms. Significant difference was also observed in O MQMAS NMR chemical shifts. The chemical shift in isotropic dimension was almost the same, but that in MAS dimension was different. The tricluster oxygen atoms appeared at the lower frequency region in MAS dimension. The cluster models were also constructed by the geometry optimization of molecular orbital calculations. In the cluster models containing the larger numbers of Si and trigonal B[3] atoms, the O MQMAS NMR peaks of the tricluster oxygen atoms appeared at the same region with those of the bridging oxygen atoms in B[4] O B[4] bridges. It was finally concluded that only the tricluster oxygen atoms surrounded by tetrahedral B[4] atoms were identified by O MQMAS NMR, if present in glass.
The Mechanics of Lung Tissue under High-Frequency Ventilation

High-frequency ventilation is a radical departure from conventional lung ventilation, with frequencies greater than 2Hz, and volumes per breath much smaller than the anatomical dead-space. Its use has been shown to benefit premature infants and patients with severe respiratory distress, but a vital question concerns ventilator-induced damage to the lung tissue, and a clear protocol for the most effective treatment has not been identified. Mathematical modeling can help in understanding the mechanical effects of lung ventilation, and hence in establishing such a protocol. In this paper we describe the use of homogenization theory to predict the macroscopic behavior of lung tissue based upon the three dimensional microstructure of respiratory regions, making the simplifying assumption that the microstructure is periodic. This approach yields equations for macroscopic air flow, pressure, and tissue deformation, with parameters which can be determined from a specification of the tissue microstructure and its .
General-purpose code acceleration with limited-precision analog computation

As improvements in per-transistor speed and energy efficiency diminish, radical departures from conventional approaches are becoming critical to improving the performance and energy efficiency of general-purpose processors. We propose a solution-from circuit to compiler-that enables general-purpose use of limited-precision, analog hardware to accelerate “approximable” code-code that can tolerate imprecise execution. We utilize an algorithmic transformation that automatically converts approximable regions of code from a von Neumann model to an “analog” neural model. We outline the challenges of taking an analog approach, including restricted-range value encoding, limited precision in computation, circuit inaccuracies, noise, and constraints on supported topologies. We address these limitations with a combination of circuit techniques, a hardware/software interface, neural-network training techniques, and compiler support. Analog neural acceleration provides whole application speedup of 3.7× and energy savings of 6.3× with quality loss less than 10% for all except one benchmark. These results show that using limited-precision analog circuits for code acceleration, through a neural approach, is both feasible and beneficial over a range of approximation-tolerant, emerging applications including financial analysis, signal processing, robotics, 3D gaming, compression, and image processing.
A New Initial Codebook Algorithm for Learning Vector Quantization

In this paper, a new sorting initial codebook algorithm for learning vector quantization (LVQ) based upon self-organizing feature maps (SOM) has been proposed. The basic idea is that the similar codewords are put together in the initial codebook. To improve the performance of SOM algorithm, we have presented a new winning self-organizing feature maps (WSOM). Experimental results for image VQ show that the average PSNR improvement of this new initial codebook algorithm is 0.7 dB compared to the common random sampling algorithm, and the WSOM algorithm has better coding performance than the LBG and SOM algorithm.
Development of an Amharic Text-to-Speech System Using Cepstral Method

This paper presents a speech synthesis system for Amharic language and describes and how the important prosodic features of the language were modeled in the system. The developed Amharic Text-to-Speech system (AmhTTS) is parametric and rule-based that employs a cepstral method. The system uses a source filter model for speech production and a Log Magnitude Approximation (LMA) filter as the vocal tract filter. The intelligibility and naturalness of the system was evaluated by word and sentence listening tests respectively and we achieved 98% correct-rates for words and an average Mean Opinion Score (MOS) of 3.2 (which is categorized as good) for sentences listening tests. The synthesized speech has high intelligibility and moderate naturalness. Comparing with previous similar study, our system produced considerably similar quality speech with a fairly good prosody. In particular our system is mainly suitable for building new languages with little modification.
Clearing the Throat: Irrelevant Operators and Finite Temperature in Large N Gauge Theory

We study the addition of an irrelevant operator to the = 4 supersymmetric large-N SU(N) gauge theory, in the presence of finite temperature, T. In the supergravity dual, the effect of the operator is known to correspond to a deformation of the AdS5 × S5 ``throat'' which restores the asymptotic ten dimensional Minkowski region of spacetime, completing the full D3-brane solution. The system at non-zero T is interesting, since at the extremes of some of the geometrical parameters the geometry interpolates between a seven dimensional spherical minkowskian Schwarzschild black hole (times 3) and a five dimensional flat AdS Schwarzschild black hole (times S5). We observe that when the coupling of the operator reaches a critical value, the deconfined phase, which is represented by the geometry with horizon, disappears for all temperatures, returning the system to a confined phase which is represented by the thermalised extremal geometry.
Efficient 3D Scene Labeling Using Fields of Trees

We address the problem of 3D scene labeling in a structured learning framework. Unlike previous work which uses structured Support Vector Machines, we employ the recently described Decision Tree Field and Regression Tree Field frameworks, which learn the unary and binary terms of a Conditional Random Field from training data. We show this has significant advantages in terms of inference speed, while maintaining similar accuracy. We also demonstrate empirically the importance for overall labeling accuracy of features that make use of prior knowledge about the coarse scene layout such as the location of the ground plane. We show how this coarse layout can be estimated by our framework automatically, and that this information can be used to bootstrap improved accuracy in the detailed labeling.
Analytical Model of Connected Bi-Omega: Robust Particle for the Selective Power Transmission Through Sub-Wavelength Apertures

In this paper, we present a new analytical model of the connected bi-omega structure consisting of two bi-omega particles connected together through their arms. A single bi-omega particle consists of a pair of regular equal omegas with mirror symmetry. Assuming the individual bi-omega particle electrically small, the equivalent circuit is derived, in order to predict its resonant frequency. Then, two bi-omega particles are connected together, obtaining a symmetric structure that supports two fundamental modes, with even and odd symmetries, respectively. The proposed analytical model, then, is used to develop a procedure allowing the design of the particle for a desired resonant frequency. The effectiveness of the proposed analytical model and design guidelines is confirmed by proper comparisons to full-wave numerical and experimental results. We also demonstrate through a proper set of experiments that the resonant frequencies of the connected bi-omega particle depend only on the geometrical and electrical parameters of the omegas and are rather insensitive to the practical scenario where the particle itself is actually used, e.g. in free-space, rectangular waveguide or across an aperture in a metallic screen.
Three-Dimensional Fabrication of Scaffolds for Drug Discovery and Regenerative Medicine

The fabrication of scaffolds for drug discovery using 3D electron-beam lithography is an innovative concept and a potential break-through idea which could possibly be a paradigm shift in the drug-testing process. As the traditional 2D cell culture does not accurately mimic the 3D environment in which cells reside, it may provide inaccurate data regarding the predicted response of cells to therapeutics. In-vitro cell-based assays have the potential to replace in-vivo animal testing and provide more reliable data. However, many current assays are performed using two-dimensional (2D) cell culture, which, due to the unnatural configuration that cells take on a flat surface, do not sufficiently predict how the human body will react to a drug. 3D cell cultures can improve cell-based screening and identify toxic and ineffective substances at an early stage of the drug discovery pipeline. The 3D scaffolds serve to mimic the actual in-vivo microenvironment where cells interact and behave according to the mechanical cues obtained from the surrounding 3D environment. We were able to demonstrate that our state-of-the-art 3D electron-beam lithography fabrication technique can accurately reproduce any feature from nano to micro-scale. Using 3D electron beam lithography we are able to generate high resolution 3D scaffolds which mimics the in-vitro environment of a cell. A 3D cell culture is an artificially-created environment in which biological cells are permitted to grow or interact with its surroundings in all three dimensions. This is an improvement over the previous method of growing cells in 2D (on a petri dish) because the 3D model more accurately models the in-vivo cells. In living tissue, cells exist in 3D microenvironments with intricate cell-cell and cell-matrix interactions and complex transport dynamics for nutrients and cells. A real 3D environment is often necessary for cells in-vitro to form important physiological structures and functions. The third dimension of cell growth provides more contact space for mechanical inputs and for cell adhesion, which is necessary for integrin ligation, cell contraction and even intracellular signaling. Using 3D electron-beam lithography technique for fabrication of 3D scaffolds provides a novel high resolution, sustainable and cost-effective method for drug discovery and regenerative medicine applications.
Analyses of Heart Rate, Respiration and Cardiorespiratory Coupling in Patients with Schizophrenia

Schizophrenia is a severe mental disorder associated with a significantly increased cardiovascular mortality rate. However, the underlying mechanisms leading to this cardiovascular disease (CVD) are not fully known. Therefore, the objective of this study was to characterize the cardiorespiratory influence by investigating heart rate, respiration and the causal strength and direction of cardiorespiratory coupling (CRC), based mainly on entropy measures. We investigated 23 non-medicated patients with schizophrenia (SZ), comparing them to 23 age- and gender-matched healthy controls (CO). A significantly reduced complexity was found for the heart rate and a significantly increased complexity in respiration and CRC in SZ patients when compared to corresponding measurements from CO (p < 0.001). CRC analyses revealed a clear coupling, with a driver-responder relationship from respiration to heart rate in SZ patients. Moreover, a slight driver-responder relationship from heart rate to respiration could be recognized. These findings lead to the assumption that SZ should be considered to be a high-risk group for CVD. We hypothesize that the varying cardiorespiratory regulation contributes to the increased risk for cardiac mortality. Therefore, regular monitoring of the cardiorespiratory status of SZ is suggested to identify autonomic regulation impairment at an early stage—to develop timely and effective treatment and intervention strategies.
Revisiting CFTR inhibition: a comparative study of CFTRinh-172 and GlyH-101 inhibitors

For decades, inhibitors of the cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel have been used as tools to investigate the role and function of CFTR conductance in cystic fibrosis research. In the early 2000s, two new and potent inhibitors of CFTR, CFTRinh‐172 and GlyH‐101, were described and are now widely used to inhibit specifically CFTR. However, despite some evidence, the effects of both drugs on other types of Cl−‐conductance have been overlooked. In this context, we explore the specificity and the cellular toxicity of both inhibitors in CFTR‐expressing and non–CFTR‐expressing cells.
A Simple Method for the Preparation of Liposomes for Pharmaceutical Applications: Characterization of the Liposomes

Abstract— A new method for the preparation of liposomes is described that avoids the use of pharmaceutically unacceptable solvents and energy‐expensive procedures such as sonication. The method is based on the initial formation of a proliposome mixture containing lipid, ethanol and water, which is converted to lipsomes by a simple dilution step. Measurements using 6‐carboxyfluorescein as a marker indicate that water‐soluble drugs can be trapped with extremely high efficiency (65–80% depending on lipid composition). The structural organization of the proliposome mixture and the final liposomes were characterized using electron microscopy and 31P‐NMR.
Self‐Controlled Case‐Series Study to Verify the Effect of Adherence to Beta‐Blockers in Secondary Prevention of Myocardial Infarction

Background Beta‐blockers (BB) are recommended in secondary prevention of acute myocardial infarction (AMI), but adherence to prescription medication is a recognized problem. Most literature on the consequences of poor adherence to prescribed BB is limited by the possibility of “healthy adherer bias” and better‐designed studies have been advocated. Methods and Results We investigated the association between adherence to BB prescription and risk of subsequent AMIs using the self‐controlled case series design, which allows improved control of interpersonal confounding, being based on intrapersonal comparisons. From all the 30 089 patients hospitalized for AMI in the years 2009–2011 in an Italian region we selected those that suffered subsequent AMIs at days 31 to 365 from discharge (1328), and then the 1207 that had at least one BB prescription collected at any of the regional pharmacies. Using information on prescriptions, each individual's observation time was then divided into periods exposed or unexposed to BB and the relative AMI incidence rate ratios (IRR) of BB exposure were estimated by conditional Poisson regression. The IRR (rate of recurrent AMI in exposed versus unexposed periods) was 0.79 (95% CI 0.69 to 0.90, P=0.001). Various sensitivity analyses confirmed the robustness to possible failure of assumptions, ie, considering only first recurrences (IRR 0.76, 95% CI 0.66 to 0.88, P<0.001), excluding cardiovascular fatalities (IRR 0.76, 95% CI 0.65 to 0.89, P<0.001), and excluding individuals with long hospital admissions (IRR 0.60, 95% CI 0.43 to 0.83, P=0.002). Conclusions Adherence to recommended BB therapy was associated with a 20% reduction of recurrent AMIs, consistently with previous research, but with decreased concerns about healthy‐adherer bias.
A Robust Combination Strategy for Semantic Role Labeling

This paper focuses on semantic role labeling using automatically-generated syntactic information. A simple and robust strategy for system combination is presented, which allows to partially recover from input parsing errors and to significantly boost results of individual systems. This combination scheme is also very flexible since the individual systems are not required to provide any information other than their solution. Extensive experimental evaluation in the CoNLL-2005 shared task framework supports our previous claims. The proposed architecture outperforms the best results reported in that evaluation exercise.
Comparison of Apical Sealing Ability of Lateral Condensation Technique in Room and Body- Simulated Temperatures (An in vitro study)

Statement of Problem: Studies reported that nearly 60% of endodontic failures have been attributed to inadequate obturation of the root canal system. Thus, complete obturation of the root canal system and proper apical seal are essential elements in the long-term success of root canal treatment. Purpose: This study aimed to compare the apical seal of lateral condensation technique in the room and in body- simulated temperature. Materials and Method: In this experimental study, 70 extracted, single- rooted, human premolar teeth were instrumented and divided up into four groups. All tooth’s canals were obturated by lateral condensation technique except the teeth in the positive control group. Group 1and 2, each with 30 teeth, were obturated in the room and intracanal temperature respectively. The other two groups were positive and negative control group each with 5 teeth. All groups except negative control were covered by two layers of nail polish. Then linear dye penetration was evaluated with a stereomicroscope. Data was analyzed with student-t test and also Kolmogorov- Smirnov Goodness- of- Fit test to make sure of data. Results: Results showed that dye penetration in group one (obturation in room temperature) was 0.6mm more than group 2 (obturation in simulated-body temperature) although this was not statistically significant (p> 0.05). Conclusion: Under the condition of this invitro study, apical sealing ability was better in the body-simulated temperature than the room temperature, although it was not statistically significant.
Electron-vibration interaction in transport through atomic gold wires

We calculate the effect of electron-vibration coupling on conduction through atomic gold wires, which was measured in the experiments of Agrait et al. Phys. Rev. Lett. 88, 216803 2002. The vibrational modes, the coupling constants, and the inelastic transport are all calculated using a tight-binding parametrization and the nonequilibrium Green’s function formalism. The electron-vibration coupling gives rise to small drops in the conductance at voltages corresponding to energies of some of the vibrational modes. We study systematically how the position and height of these steps vary as a linear wire is stretched and more atoms are added to it, and find good agreement with the experiments. We also consider two different types of geometries, which are found to yield qualitatively similar results. In contrast to previous calculations, we find that typically there are several close-lying drops due to different longitudinal modes. In the experiments, only a single drop is usually visible, but its width is too large to be accounted for by temperature. Therefore, to explain the experimental results, we find it necessary to introduce a finite broadening to the vibrational modes, which makes the separate drops merge into a single, wide one. In addition, we predict how the signatures of vibrational modes in the conductance curves differ between linear and zigzag-type wires.
SERIES 2006-01-0309 Effort Estimation in Model-Based Software Development

Since the end of the 1990s, model-based development processes have increasingly been adopted for the development of automotive embedded control software. One of the main goals of this approach is a reduction of project development time. This reduction is achieved through the use of executable modeling and autocoding. Due to the current constraints for a majority of embedded controllers on microprocessor memory and throughput, efficient production-quality code can not be generated from an executable model with the push of a button. The autocoding process requires manual setting of the software properties for the model’s blocks and components by a software professional. Once the code is generated, code verification is needed. Although in many cases autocode generation and verification stages take less time to execute as compared to handcoding techniques, they still require substantial time to perform. The executable model, as a central artifact in a modelbased development process, is used as a software specification for autocoding as well as a comprehensive source of information for testing of auto-generated code. In addition, the model opens new possibilities for more precise estimates of engineering effort needed to perform two stages of model-based development: autocoding and autocode verification in its multiple phases. This paper describes the stages of autocode generation and verification, with the emphasis on the approach and tools developed for use in estimating engineering effort for a number of production autocode projects at Delphi Corporation.
Temperature dependent structural, elastic, and polar properties of ferroelectric polyvinylidene fluoride (PVDF) and trifluoroethylene (TrFE) copolymers

We use molecular dynamics to calculate the structural, elastic, and polar properties of crystalline ferroelectric β-poly(vinylidene fluoride), PVDF (–CH2–CF2–)n with randomized trifluoroethylene TrFE (–CHF–CF2–)n as a function of TrFE content (0–50%) in the temperature range of 0–400 K. There is a very good agreement between the experimentally obtained and the computed values of the lattice parameters, thermal expansion coefficients, elastic constants, polarization, and pyroelectric coefficients. A continuous decrease in Young's modulus with increasing TrFE content was observed and attributed to the increased intramolecular and intermolecular repulsive interactions between fluorine atoms. The computed polarization displayed a similar trend, with the room temperature spontaneous polarization decreasing by 44% from 13.8 μC cm−2 (pure PVDF) to 7.7 μC cm−2 [50/50 poly(VDF-co-TrFE)]. Our results show that molecular dynamics can be used as a practical tool to predict the mechanical and polarization-related behavior of ferroelectric poly(VDF-co-TrFE). Such an atomistic model can thus serve as a guide for practical applications of this important multifunctional polymer.