Miracle-dz/UniFAR-FTUs huggingface dataset:
Creation of Hydrochlorothiazide Pharmaceutical Cocrystals Via Hot-Melt Extrusion for Enhanced Solubility and Permeability

Crystal engineering is an emerging tool for altering the physicochemical properties of drug candidates. The objective of the current investigation was to develop cocrystals of hydrochlorothiazide (HCT) with coformers such as nicotinamide (NIC), resorcinol (RSL), and catechol (CAT) using hot-melt extrusion (HME) technology. The liquid-assisted grinding (LAG) method was used to prepare cocrystals by grinding the drug and coformer in a definite molar ratio as a reference and to check the feasibility of cocrystal formation. Cocrystals were prepared using HME and evaluated with differential scanning calorimetry, Fourier transform infrared spectroscopy, X-ray diffractometry, and scanning electron microscopy and compared with LAG cocrystals. Barrel temperature was the critical process parameter for producing high-quality cocrystals in HME. All cocrystals exhibited improved solubility compared to the native drug, and HCT-NIC cocrystals showed a two-fold increase in solubility. Similarly, HCT-RSL and HCT-CAT showed higher solubility profiles and improved diffusion/permeability characteristics compared to that of the pure HCT due to the drug-coformer interactions in the cocrystals. In this study, the solubility of the coformer was the key factor determining cocrystal solubilization. However, hot-melt extrusion is an alternative technology for creating pharmaceutical cocrystals and has potential for industrial scale-up.
Computational experience with a SDP-based algorithm for maximum cut with limited unbalance

In the Maximum Cut with Limited Unbalance problem, we want to partition the vertices of a weighted graph into two sets of sizes differing at most by a given threshold B, so that the sum of the weights of the crossing edges is maximum. This problem has been introduced in (Galbiati and Maffioli, Theor Comput Sci 385 (2007), 78–87) where polynomial time randomized approximation algorithms are proposed and their performance guarantees are analyzed in the case of non-negative integer weights. In this article, we present extensive computational experience with these algorithms on a large number of different graphs. We then extend the analysis of these algorithms to integer weights not restricted in sign, and continue the computational testing. It turns out that the approximation ratios obtained are always substantially better than those guaranteed by the theoretical analysis. © 2010 Wiley Periodicals, Inc. NETWORKS 2010
Square root data compression

Square root data compression is particularly suited to compression of scientific data where there shall be no reconstruction data artifacts, and reconstruction errors are required to be less than specified Poisson statistical noise levels. Its fixed compression ratio also makes it particularly suitable for real-time engineering implementation where telemetry rates and computer memory capacities are constrained. The compression scheme is described together with formulas that determine optimized control parameters to allow any input and compressed dynamic ranges to be accommodated, including joining to uncompressed data regions where zero data errors are desired to protect low count information. Further formulas are presented that allow optimized reconstruction values and maximum reconstruction error limits to be determined. Finally, some examples are presented that demonstrate its particular suitability for scientific applications.
SYNTHESIS OF GAAS NANOPARTICLES BY DIGITAL RADIO FREQUENCY SPUTTERING

Nanometer‐sized GaAs particles embedded in SiO2 were prepared by a digital rf‐sputtering method, where GaAs and SiO2 targets were alternately sputtered in an Ar atmosphere. The GaAs deposition time was kept shorter than the time required to form a continuous layer. Transmission electron microscopy observations showed that the sizes of the GaAs particles can be controlled from 2 to 8 nm by changing the sputtering cycle time of the GaAs target. In spite of their small size, the GaAs particles have crystallinity similar to the target material without substrate heating or postannealing. The optical absorption spectra of the GaAs particles show a blue shift as large as 1.6 eV, corresponding to strong quantum confinement of electrons and holes.
Diffusional separation of gases by sinusoidal oscillations

It is shown that gas mixtures can be separated at relatively high differential flow rates by an enhanced diffusion technique involving the oscillation of gases within a capillary bundle in the presence of axial concentration gradients. Experimental data for the diffusional separation of both He–CO2 and CO2–SF6 mixtures into an O2 carrier are presented.
Drag force on a magnet moving near a thin conductor

For a magnet moving with velocity ν over a conducting sheet, a proof of the relationship, drag force=(w/ν) (lift force), based upon Poynting's vector, is given. w is a characteristic velocity determined by the conductance of the sheet. A similar result for a right‐angle corner, drag force = (w/ν) (lift force + guidance force), is proved in the high‐speed limit by considering Maxwell's stress tensor.
VREX: A Framework for Immersive Virtual Reality Experiences

Virtual Reality (VR) is believed to be the future of gaming and even application platforms. However, creating a VR application from scratch takes up a lot of time and research. Virtual Reality frameworks simplify game development by allowing the developer focus on the actual design and system rather than dealing with the core functionalities and interactions of a VR application. In this paper, we present a Virtual Reality framework using Unity3D and the HTC Vive. With this framework, any developer can easily create a VR environment with interactions, scene objectives, player explorations, and many more. This framework is used in the creation of the adventure fantasy game, Eldervine, and adapted for the scene creator application, ANEEME. Results of experiments conducted show the framework's usability in creating different VR applications and its capability to make the interactions intuitive and the experience immersive.
Co-operative Jahn-Teller effects

The co-operative Jahn-Teller effect is a phase transition which is driven by the interaction between localized orbital electronic states and the crystal lattice. The possible origins, symmetries and properties of the electron-lattice interactions and how they lead to possible hamiltonians for the coupled system are discussed. The relation of these interactions with quadrupolar interactions and magnetostriction is included. The methods of solution of the hamiltonians lead to an understanding of the electronic states, the phonon spectrum and the mixed normal modes. The wide variety of experimental techniques used on this problem are reviewed in detail and the results are compared with theoretical expressions whenever possible. The application of external stress and magnetic field is of particular significance in the case of the rare earth compounds, because they can product effects which are larger than the low-temperature spontaneous effects.
Electron spectroscopy on boron nitride thin films: Comparison of near-surface to bulk electronic properties

Combining spectroscopic methods probing both occupied as well as unoccupied electronic states, the surface electronic structure of ex situ prepared boron-nitride films is analyzed and compared to experimental and theoretical bulk-electronic properties taken from the literature. X-ray photoelectron spectroscopy is applied to probe the core-level and valence-band electronic states, electron-energy-loss spectroscopy in the reflection geometry to investigate conduction band states as well as excitations like plasmons and core excitons. For films with hexagonal structure, the results from the near-surface region are found to reflect both the ground state and the many-body properties of the bulk material. Cubic boron nitride films in all cases exhibit a hexagonal-like top layer with a thickness of about 0.9 nm. Low-energy ion bombardment at room temperature is found to significantly increase the amount of disorder in both types of films, leading to the transformation of the cubic phase into a hexagonal-like material.
Markovian approach for modeling IP traffic behavior on several time scales

In this paper we compare two traffic models based on Markov modulated Poisson processes (MMPPs), that were designed to capture self-similar behavior over multiple time scales. These models are both constructed by fitting the distribution of packet counts in a number of time scales. The first model is a superposition of MMPPs where each MMPP describes a different time scale. The second one is obtained as the equivalent to an hierarchical construction process that, starting at the coarsest time scale, successively decomposes MMPP states into new MMPPs to incorporate the characteristics offered by finner time scales. We evaluate the accuracy of the models by comparing the probability mass function at each time scale, as well as the loss probability and average waiting time in queue, corresponding to measured traces and to traces synthesized according to the proposed models. The analysis is based on three measured traffic traces exhibiting self-similar behavior: the well-known pOct Bellcore trace and two traces measured in a Portuguese ISP. Based on the obtained results, we conclude that both Markovian models have good and very similar performances in matching the characteristics of the data traces over the relevant time scales. However, one advantage of the hierarchical approach is that the number of states of the corresponding MMPP can be much smaller.
Control of magnetic behavior in Fe/sub 3/O/sub 4/ nanostructures

Hexagonally well-ordered nanoporous anodized aluminum oxide (AAO) templates were synthesized by electrochemical method. Then, magnetite (Fe/sub 3/O/sub 4/) nanoparticles of 8-15-nm diameter were filled in the pores of the AAO template, and then the morphology and magnetic properties were characterized. Vibrating sample magnetometer measurement indicated that the nanoparticles inside AAO showed superparamagnetic behavior at as-filled state. But after annealing at 600/spl deg/C for 2 hr, the nanostructure (i.e., an assembly of nanoparticles) exhibited coercivity of 80 Oe. Superconducting quantum interference measurement device data showed that after annealing the blocking temperature was above 300 K. Thus, the annealed magnetite nanostructures possessed ferrimagnetism.
The Simplex Method: Two Basic Variables Replacement

The paper presents a method for solving the linear programming problems, which is itself a step towards the generalization of the classical Simlex Method. It replaces two basic variables by two non-basic variables at each iteration. Naturally this will reduce the total number of steps to reach the final solution. The paper also includes the solution of one example to illustrate the applicability of the method.
Standard Errors of Estimated Latent Variable Scores With Estimated Structural Parameters

The authors propose a concise formula to evaluate the standard error of the estimated latent variable score when the true values of the structural parameters are not known and must be estimated. The formula can be applied to factor scores in factor analysis or ability parameters in item response theory, without bootstrap or Markov chain Monte Carlo methods. The proposed method is valid when both the number of items and the number of subjects are large. However, simulation results suggest that the proposed method provides valid estimates for standard errors of latent abilities even when the numbers of items and subjects are not large.
Parameter Estimation of Autoregressive Models Using the Iteratively Robust Filtered Fast-τ Method

Utilizing time series modeling entails estimating the model parameters and dispersion. Classical estimators for autocorrelated observations are sensitive to presence of different types of outliers and lead to bias estimation and misinterpretation. It is important to present robust methods for parameters estimation which are not influenced by contaminations. In this article, an estimation method entitled Iteratively Robust Filtered Fast− τ(IRFFT) is proposed for general autoregressive models. In comparison to other commonly accepted methods, this method is more efficient and has lower sensitivity to contaminations due to having desirable robustness properties. This has been demonstrated by applying MSE, influence function, and breakdown point criteria.
Dynamic elastic image stretching technique applied to thermographic images

A method of automatically stretching a series of hand thermograms to a standard form is described. It is based on an elastic model which has the iterative and co-operative properties of relaxation labelling, while not requiring large storage space for label updating. At each iteration some of the mutual differences between image pairs are removed, making the association between the new pairs more reliable. The experiments described show that mismatches decrease with each iteration, and thus the reliability of both local and global matches is increased. The method is co-operative because a feature at one location influences decisions made in its surrounding area. Nearest neighbour relationships are used to derive local difference vectors between features. These vectors are combined in a weighted averaging scheme to produce corrected difference vectors which are then applied to an image to create a new image for further matching. An FFT based technique has been developed to enhance the efficiency of the corrected difference vector evaluation. The method has been found to be efficient and cost effective for 2-dimensional image matching.
Analysis of Tilt‐Buckling of Euler Columns with Varying Flexural Stiffness Using Homotopy Perturbation Method

Abstract In this paper, the Homotopy Perturbation Method (HPM), is introduced for elastic stability analysis of tilt‐buckled columns with variable flexural stiffness. Buckling loads and corresponding mode shapes are determined considering different types of variations in flexural stiffness of columns. The proposed approach is an efficient technique for the elastic stability analysis of specified problems.
Lesion segmentation algorithm for contrast enhanced CT images

Lesion segmentation is crucial in liver pathology diagnosis and surgery planning. Its goal is to identify lesion's shape, location and connectivity to the vessel system. Nowadays, the clinical practice is to use volumetric contrast enhanced CT images, acquired before and after contrast agent injection. However, currently, liver CAD systems work on a single volumetric image, i.e. the volume exhibiting the best contrast enhancement. Therefore, the motivation of our work is to explore the gray-level enhancement in the different abdominal tissues and organs present in all acquired images. The described method at first aligns all images and progresses with the segmentation - a combination of an initial clustering approach and the Expectation-Maximization algorithm to optimally model the joint histogram by a sum of multivariate Gaussian distributions. It is performed hierarchically: firstly, it is invoked on the whole abdominal volume, secondly on the detected liver region, and finally over the lesions. Experiments show that if the contrast information is sufficient, the results are accurate in comparison to the ground truth: reference segmentation performed by a radiologist using a commercial tool. Moreover, we show that our method provides beneficial information to radiologists about the lesion nature and its behavior throughout the different phases.
Methodology Review: Clustering Methods

A review of clustering methodology is presented, with emphasis on algorithm performance and the re sulting implications for applied research. After an over view of the clustering literature, the clustering process is discussed within a seven-step framework. The four major types of clustering methods can be characterized as hierarchical, partitioning, overlapping, and ordina tion algorithms. The validation of such algorithms re fers to the problem of determining the ability of the methods to recover cluster configurations which are known to exist in the data. Validation approaches in clude mathematical derivations, analyses of empirical datasets, and monte carlo simulation methods. Next, interpretation and inference procedures in cluster anal ysis are discussed. inference procedures involve test ing for significant cluster structure and the problem of determining the number of clusters in the data. The paper concludes with two sets of recommendations. One set deals with topics in clustering that would ben efit from continued research into the methodology. The other set offers recommendations for applied anal yses within the framework of the clustering process.
Optimization and Application of an Efficient and Stable Inhalation Exposure System for Rodents

Inhalation is a promising and challenging method in pharmaceutical and biological science research. A stable environment is critical in dynamic inhalation administration. However, the establishment of a stable inhalation system is very challenging. Indacaterol glycopyrronium bromide inhalation powder (IM/GP mixed powder) is composed of indacaterol maleate and glycopyrronium bromide powder to treat chronic obstructive pulmonary disease (COPD). The aim of this study is to build suitable inhalation conditions and then to evaluate the pulmonary safety of this drug in Sprague-Dawley(SD) rats. In the research, through the coordination of the atomization flow, air pump flow, and scraper speed, aerosols were stabilized at 200 ± 20% mg/m3, and then rats were nose-only administered with the IM/GP mixed powder, Ultibro, and lactose-magnesium stearate mixed powder at 2.6 mg/kg/day for 14 days and 14 days of recovery period, respectively. After exposure, hematology, inflammatory cytokines in rats bronchoalveolar lavage fluid (BALF) and serum, histopathological examination were performed. Results showed that the stability of powder aerosols can be realized under the atomization generation flow: 10 L/min, sampling flow: 2 L/min, system pumping capacity: 10 L/min and powder scraper speed: 8–10 L/min, and there were no significant adverse effects on body weight, clinic signs, hematology, and pathology in rats. Overall, the results suggested that the IM/GP mixed powder inhalation at the dose of 2.6 mg/kg/d can be reached when the aerosol concentration is within the range of 200 ± 20% mg/m3, and there were no pulmonary toxicity effects in rats.
The Nearest GHz Peaked-Spectrum Radio Galaxy, PKS 1718-649

In this paper we identify PKS 1718-649, at a distance of 56 Mpc (z=0.014; H0=75 km s-1 Mpc-1, q0=O), as the nearest GHz peaked-spectrum (GPS) radio galaxy, more than four times closer than any previously known. Extensive observations at radio wavelengths with the Australia Telescope Compact Array, the Southern Hemisphere VLBI Experiment array, and the Swedish-ESO Submillimetre Telescope have allowed us to determine the properties of the radio source: PKS 1718-649 consists of two compact sub-pc-scale components separated by approximately 2 pc, the overall radio polarization is low, and the radio spectrum is peaked near 3 GHz. Order-of-magnitude agreement between the quantitative model for GPS sources of Bicknell et al. [ApJ (1997) (in press)] and the radio data we present, as well as data at optical wavelengths from the literature, raises the interesting possibility that PKS 1718-649 may be frustrated in its development by the nuclear environment of its host galaxy, NGC 6328. The model of Bicknell et al. (1997) suggests free-free absorption as an explanation of the PKS 1718-649 radio spectrum. However, both free-free absorption and synchrotron self-absorption mechanisms are plausible for this source and both may contribute to the overall radio spectrum. PKS 1718-649 provides evidence to strengthen the speculative suggestion that GPS sources arise as a consequence of galaxy merger activity. © 1997 American Astronomical Society.
Closed-loop adaptive control for torsional micromirrors

An adaptive control scheme to achieve accurate positioning and trajectory tracking of torsional micromirror is presented in this study. The torsional micromirror is fabricated by using surface micromachining processes, in which phosphorusdoped polysilicon is employed as the structure layer as well as the bottom electrode. Generally, every fabrication step contributes to imperfections in micromirror. The proposed adaptive self-tuning controller has advantages of on-line compensating parameter variations or model uncertainty of the torsional micromirror, resulting from fabrication imperfections that produce asymmetric structures, misalignment of actuation mechanism, and deviations of the center of mass from the geometric center. In our design, the amount of detection of differential capacitance between the left and right electrodes at the femtofarad (fF) level is utilized as feedback signals. Simulation results show that the designed controller has better transient response compared to the PID control scheme. The micromirror can follow the reference trajectory (5 kHz) with acceptable error in several microseconds, thus the convergence of the controller is confirmed. Furthermore, the unknown model parameters can be identified correctly while the so-called persistent excitation condition is satisfied.
Producing whole speech events: Anticipatory lip compression in bilabial stops

Bilabial stops /b/, /p/, and /m/ ostensibly share a common lip constriction. Recent evidence shows that different bilabial stops involve distinct facial muscle activations, suggesting that oral speech movements anticipate aerodynamic conditions [Gick et al. 2pSC1 Proc. Acoust. 2012 H.K. ]. The present study investigates how the lips themselves behave in whole speech events. Existing models of speech production governing only articulatory motions predict that lip compression would respond to changes in aerodynamic conditions rather than anticipating such changes; a model that includes whole events predicts anticipatory activation of lip muscles with concomitant kinematic lip compression, but only in cases where a real increase in air pressure is expected. Lip kinematics were recorded using OptoTrak to trace lip movements of bilabial stops in response to imperative acoustic stimuli. Results show consistent anticipatory lip compression in spoken /b/, but not in non-speech jaw opening movements and only sporad.
On variants of the Johnson–Lindenstrauss lemma

The JohnsonLindenstrauss lemma asserts that an n-point set in any Euclidean space can be mapped to a Euclidean space of dimension k = O(e-2 log n) so that all distances are preserved up to a multiplicative factor between 1 - e and 1 + e. Known proofs obtain such a mapping as a linear map Rn ’ Rk with a suitable random matrix. We give a simple and self-contained proof of a version of the JohnsonLindenstrauss lemma that subsumes a basic versions by Indyk and Motwani and a version more suitable for efficient computations due to Achlioptas. (Another proof of this result, slightly different but in a similar spirit, was given independently by Indyk and Naor.) An even more general result was established by Klartag and Mendelson using considerably heavier machinery. Recently, Ailon and Chazelle showed, roughly speaking, that a good mapping can also be obtained by composing a suitable Fourier transform with a linear mapping that has a sparse random matrix M; a mapping of this form can be evaluated very fast. In their result, the nonzero entries of M are normally distributed. We show that the nonzero entries can be chosen as random ± 1, which further speeds up the computation. We also discuss the case of embeddings into Rk with the l1 norm. © 2008 Wiley Periodicals, Inc. Random Struct. Alg. , 2008