Miracle-dz/UniFAR-FTUs huggingface dataset:
SIR2011: a new package for crystal structure determination and refinement

SIR2011, the successor of SIR2004, is the latest program of the SIR suite. It can solve ab initio crystal structures of small- and medium-size molecules, as well as protein structures, using X-ray or electron diffraction data. With respect to the predecessor the program has several new abilities: e.g. a new phasing method (VLD) has been implemented, it is able to exploit prior knowledge of the molecular geometry via simulated annealing techniques, it can use molecular replacement methods for solving proteins, it includes new tools like free lunch and new approaches for electron diffraction data, and it visualizes three-dimensional electron density maps. The graphical interface has been further improved and allows the straightforward use of the program even in difficult cases.
PCR-RFLP Polymorphism of Growth Hormone Gene and Its Association with Growth and Morphometric Traits in Ganjam and Baigani Goats of Odisha

Background: Growth Hormone (GH) gene codes for the growth hormone, an anabolic hormone synthesized and secreted by the somatotroph cells of pituitary. Growth hormone influences many processes such as growth, lactation, reproduction and metabolism. Genetic variation in the gene are utilized as markers for selecting animals that are superior in terms growth, production and reproduction traits. Information available on the polymorphism of growth hormone gene of Ganjam and Baigani goats of Odisha is scanty. The current investigation was done to explore the genetic variation of this gene and its association with morphometric traits. Methods: Genetic polymorphism in exon 2 and 3 of Growth hormone gene in Ganjam goat and Baigani goat was explored with sample size of 100 goats for each. The goats belonged to three locations: Khallikote, Rambha, Chattrapur of Ganjam district. The goats were recorded for their body weights, morphometric traits and morphological traits. Genomic DNA was isolated, the target segment comprising exons 2 and 3 was amplified and PCR-RFLP was carried out using Hae III restriction enzyme. Genotypes were scored. Result: PCR of the locus resulted in 422 bp PCR product. PCR-RFLP using Hae III restriction enzyme yielded only two variants in both the populations. The variant A had only one restriction recognition site on the target gene segment yielding two bands with size of 366bp and 56bp whereas the variant B did not have any restriction site with single band of 422bp. Three genotypes AA, AB and BB were found in both the population. In both the population, the gene and genotype frequency were significantly deviated from the Hardy Weinberg Equilibrium frequency. There was a significant difference in the genotype frequencies of growth hormone gene between Ganjam and Baigani goats. The AB genotype had higher mean value for all morphometric traits than AA and BB genotype though the differences were not found to be significant.
The effect of accrual heterogeneity on accrual quality inferences

We investigate the impact of the mixed attribute GAAP measurement model on accrual quality inferences. GAAP rules vary from an income statement 'matching' focus to a balance sheet 'fair-value' focus. Accrual properties are also affected by the business activity being measured and the activity's recurrence. Furthermore, accrual measurement is affected by managerial estimation error/manipulation. As a consequence, accruals are heterogeneous with predictably different statistical properties. We construct a dataset of more than 100,000 accrual items that Compustat aggregates into data item, FOPO. We classify these accruals into 32 types over a 21-year span. We show that variation in persistence for the 32 accrual types is consistent with our predictions concerning GAAP rules. We provide a model of accruals and show that it is implausible for estimation error of reasonable magnitudes to explain this variation. Finally, we develop a measure of reporting consistency and show its impact on accrual quality inferences.
Research on GPS Data Frame Analysis

With the continuous development of GPS positioning technology and the popularization of applications, more and more GPS receivers emerge at the right moment. UM220-III supports big dipper / GPS, higher integration, excellent positioning timing function, high sensitivity design. In this paper, a low cost GPS positioning system based on STM8S is proposed, which analyzes the GPS data frame and has high positioning accuracy, the positioning information and the position accuracy factor of the observation point both obtain higher positioning accuracy.
El género Pannaria (Pannariaceae) en la Argentina: nuevos registros y actualización del conocimiento

Introducción & Objetivos: Como parte de estudios a largo plazo enfocados en la diversidad de hongos liquenizados en la Argentina, se presenta una revisión sobre el género Pannaria para el país. Este género nunca ha sido estudiado en detalle en nuestro territorio. M&M: La morfología, anatomía y química de las especies fue estudiada por medio de la revisión de ejemplares frescos recolectados en el campo y el estudio de diferentes colecciones de herbario, siguiendo protocolos estandarizados. Resultados: Se registraron 15 especies de Pannaria, 3 de ellas por primera vez para la Argentina: P. canoplea, P. malmei y P. tavaresii. Se propone una nueva sinonimia (P. euphylla = P. calophylla). Se presentan descripciones, fotografías e información actualizada sobre la distribución y ecología de las especies, y una clave para su identificación. Conclusiones: La mayoría de las especies mencionadas se encuentran en los bosques andino-patagónicos, con la excepción de P. canoplea, P. malmei y P. tavaresii, que se encontraron en el centro de Argentina, en bosques de altura de Polylepis.
A classification for English primary schools using open data

England has statutory regulations in place that ensure state funded schools deliver broadly the same curriculum. However there still exists a wide range of contexts in which this education takes place, including: the management of schools; how the schools chose to spend their budgets; individual policies in regards to staffing, behaviour and attendance, and perhaps most importantly, the composition of the pupil population in the school. Given these contexts, one outcome of interest is the attainment profile of schools, and it is important that this performance is judged in context, for the benefits of pupils, parents and schools. To this end, this study develops a classification using contemporary data for English primary schools. The open data used captures aspects of the gender, ethnic, language, staffing and affluence makeup of each school. The nature of these derived groupings is described and made available as a mapping resource. These groupings allow the identification of “families of schools”, to act as a resource to foster better collaboration between schools and more nuanced benchmarking.
Repeated Transfer of Colloidal Patterns by Using Reversible Buckling Process

The reversible nature of buckling is employed to repeatedly transfer colloids assembled in buckling patterns to flat surfaces. The cycle of colloidal loading–transfer–buckling is repeatedly carried out to fabricate the same colloidal patterns. The key to success is the reduction in the amplitude of the buckling patterns to a few nanometers as well as the recovery of initial buckling patterns after repeated stretching. The reduced buckling amplitude by poststretching or thermal annealing embosses the colloids assembled in the trenches of the buckling patterns, which enables the transfer regardless of the size, species, or layer thickness of the particles. This report demonstrates various transferred patterns composed of colloidal crystals, fluorescence hydrogel colloids, Au nanoparticles, and iron oxide magnetic particles. Since the process does not require surface modification of the colloids, it can be used to fabricate any colloidal patterns.
Osmotic Properties of a Cation Exchange Membrane: Reflection Coefficients of a Solute Larger than 1 in a System with Aqueous Mixed Electrolyte Solutions

The reflection coefficient of HCl of a cation exchange membrane separating two homogeneous aqueous solutions containing HCl and NaCl [c' (HCl) = 5 × 10−3c+, c” (HCl) = 2 × 10−2c+; c' (NaCl) = c” (NaCl) = c (NaCl): 0≤c (NaCl)≤0.5c+; c+ = 1 mol dm−3] exhibits a characteristic dependence on the concentration of NaCl. In the absence of NaCl the reflection coefficient σ(HCl) has a value close to 1. With increasing values of the concentration of NaCl the value of the reflection coefficient σ(HCl) increases and reaches a maximum value of about σ(HCl) ≈ 2.5 at [c (NaCl)/〈c (HCl)〉] ≈ 5.0. Above this value the reflection coefficient σ(HCl) decreases reaching values of σ(HCl) ≈ 1 at values of [c (NaCl)/〈c (HCl)〉] ≈ 45. This concentration dependence of σ(HCl) is in qualitative agreement with recent theoretical predictions and independent calculations based on the model of the membrane with narrow pores.
Stock price prediction using the RNN model

This paper proposes a deep learning technique to predict the stock market. Since RNN has the advantage of being able to process time series data, it is very suitable for forecasting stocks. Therefore, we use the RNN network and use Apple’s stock price in the past ten years as data set to predict. Experiments show that the prediction accuracy is over 95%, and the loss close to 0.1%.
PVA-Ketoprofen Nanofibers Manufacturing Using Electrospinning Method for Dissolution Improvement of Ketoprofen

Background and purpose: Ketoprofen is an NSAIDs agent which has analgesic and anti inflammation effects. Ketoprofen is classified into class II in the biopharmaceutical classification system that has a high permeability but low solubility. Hence, the absorption rate of this substance is governed by its dissolution rate. Electrospinning is a method that combine solid dispersion technology and nanotechnology. This method can be selected to enhance the dissolution rate of active substances. The aim of this research is to improve the dissolution rate of ketoprofen through the preparation of polymeric nanofiber polivinyl alcohol (PVA) containing ketoprofen using electrospinning process. Methods: Preparation of nanofibers with various of PVA-ketoprofen ratio, flow rate, and PVA concentration in the solution were accomplished using electrospinning instrument. Casting solid dispersion film were also prepared by solvent evaporation method and used as a reference. The rates of dissolution of ketoprofen from each of nanofibers, casting films, and pure ketoprofen were conducted in HCl pH 1.2 medium at 37oC. Characterization of nanofibers was carried out using Scanning Electron Microscope (SEM) and X-ray Diffraction (XRD). Results: Nanofibers which contained of PVA-ketoprofen 1:1 in ratio w/w showed a significant improvement in dissolution (p<0.05) compared to the pure ketoprofen. Meanwhile, nanofibers obtained from a solution containing 7.5 % PVA (w/v) and 4 ml/h in flow rate showed the best dissolution rate improvement and significantly different (p<0.05) with either the casting film or the pure ketoprofen. The improvement of ketoprofen dissolution was due to the increasing of surface area of nanofiber and the change of ketoprofen from crystalline into amorphous form. Conclusion: Electrospinning technique can be used to improve the dissolution rate of ketoprofen through the PVA-ketoprofen nanofiber formation by choosing the appropriate polymer concentration and manufacturing process.
The Design of Height Control System of Fully Autonomous UAV Based on ADRC-PID Algorithm

In order to solve the problem of low data accuracy due to UAV height sensing equipment such as GPS, barometer, ultrasound, etc., a control system used on multi-rotor aircraft was designed to achieve UAV autonomous altitude cruise. In response to this problem, we introduce an inertial measurement unit (IMU), and use the IMU to calculate the system acceleration (ACC), and use the Kalman algorithm to predict altitude, thereby eliminating altitude drift caused by insufficient sensor accuracy and errors. In addition, the ADRC-PID joint control algorithm is also introduced to control the attitude of the aircraft, achieve control compensation, and finally control the height of the drone through the three-loop cascade PID.
High resolution 13C‐NMR spectroscopy of sodium carboxy methyl cellulose

Results of NMR studies on intact sodium carboxy methyl cellulose (SCMC) are presented. Similar studies in the literature are all on partially depolymerized SCMC. The degree of substitution and the relative distribution of substituents at OH-2, OH-3, and OH-6 of anhydro D-glucose residue in intact SCMC were determined by high resolution 13C-NMR spectroscopy (125 MHz). It is observed that the degree of substitution at OH-6 is almost equal to that at OH-3. In two SCMC samples, which are widely different in molecular weight and degree of substitution (ds), the relative reactivity order of the hydroxyl groups was found to be OH-2 > OH-6 ≃ OH-3. The NMR assignments were based on calculated shifts of carbons of anhydroglucose moiety in an oligosaccharide due to substitution.
High Performance Liquid Chromatography Simultaneous Quantitation of Ketoprofen and Parabens in a Commercial GEL Formulation

Abstract A simple and rapid procedure for quantitation of Ketoprofen and parabens simultaneously in a commercial gel formulation by reversed phase high performance liquid chromatography was developed. The chromatographic analysis has been undertaken on a Hypersil ODS column by using a solvent mixture composed of acetonitrile-potassium dihydrogenphosphate buffer (pH=3.0) (40:60, v/v) isocratically with a U. V. detection at 254 nm. Ketoprofen related impurities and hydrolysis product of parabens are well resolved in these conditions and the method can be applied to quality control analysis of Ketoprofen and parabens in gel formulation.
Prediction of Remaining Useful Lifetime of Membrane Using Machine Learning

We present a novel analytical procedure estimating the remaining useful life (RUL) of complex systems or facilities based on degradation data obtained over time; we consider the maintenance characteristics of units that are incompletely repaired. We develop an extended prognostic model that accurately predicts the RUL; we use machine-learning featuring smoothing, logging, variable transformation and clustering to this end. The performance of a general model was more predictable than that of an extended model. A linear regression (LR) method was superior in terms of root mean square error prediction and an artificial neural network (ANN) was superior in terms of prognostics and health management (PHM) scoring. The procedure is both practical and efficient, and can be deployed in various industries, yielding low-cost prognostics even in low-expertise domains. The procedure can be applied to high-risk industries, aiding management decision-making in terms of the establishment of optimal, preventative maintenance policies.
The Chemical Constituents and the Cytotoxicity, Antioxidant and Antibacterial Activities of the Essential Oil of Graptophyllum pictum (L.) Griff.

Abstract The essential oil from the leaves of Graptophyllum pictum (L.) Griff. was isolated by hydrodistillation and its chemical constituents were investigated by a combination of gas chromatographic (GC-FID) and gas chromatography-mass spectrometric (GC-MS) analysis. Fourteen compounds, comprising 95.0 % of the gas chromatographical oil, were identified. The major constituents were phytol (75.7 %), n-nonacosane (6.5 %) and hexahydrofarnesyl acetone (2.6 %). The oil showed significant cytotoxicity against KB (epidermoid carcinoma of oral cavity), NCI-H187 (small cell lung carcinoma) and Vero cell lines with IC50 values of 27.04, 25.27 and 26.52 µg/mL, respectively. The antioxidant activity of the oil was determined using the ABTS radical cation scavenging assay. The oil had less antioxidant activity than the controls, trolox and ascorbic acid. In a disc diffusion assay the oil exhibited antibacterial activity against S. aureus and E. coli with MIC values of 11.75 and 35.25 µg/disc, respectively.
Effects of fair value reporting of derivatives on risk management policies and firm value: Evidence from SFAS No. 133

I examine the effect of derivatives speculation on liquidity holdings (e.g., cash, lines of credit). To identify a causal effect, I employ SFAS No.133, Accounting for Derivative Instruments and Hedging Activities, as a natural experiment that exogenously increases the cost of derivatives speculation. By analyzing changes in the liquidity holdings of treated firms following SFAS No.133, I show that decreased derivatives speculation caused a reduction in liquidity holdings. The channel for this reduction is risk management: a reduction in speculation decreases a firm's risk therefore, it need not hold as much liquidity to maintain the same level of risk.
Size-dependent aerosol activation at the high-alpine site Jungfraujoch (3580 m asl)

Abstract Microphysical and chemical aerosol properties and their influence on cloud formation were studied in a field campaign at the high-alpine site Jungfraujoch (JFJ, 3580 m asl). Due to its altitude, this site is suitable for ground-based in-cloud measurements, with a high cloud frequency of 40%. Dry total and interstitial aerosol size distributions [18 nm <particle diameter (Dp)<800 nm] were determined with a time resolution of 6 min. A forward scattering spectrometer probe (FSSP-100) measured the cloud droplet size distribution, and a particle volume monitor (PVM-100) was used to measure liquid water content (LWC). In addition, the aerosol chemical composition (major soluble ions) was determined in two size classes (total and sub-micron particles). Agreement within the range of measurement uncertainties was observed between the droplet number concentrations derived from the aerosol size distribution measurements (total minus interstitial) and those measured by the FSSP. The observed particle diameter at 50% activation (D50) was typically around 100 nm for LWC > 0.15 g m−3. Below this value, D50 increased with decreasing LWC. A dependence of D50 on the accumulation mode (Dp>100 nm) number concentration (Ntot,Dp>100) was only found for concentrations less than 100 cm−3. For higher values of Ntot,Dp>100 the D50 remained constant. Furthermore, a decrease of the effective radius of cloud droplets (Reff) with increasing Ntot,Dp>100 was observed, providing experimental evidence for the microphysical relation predicted by the Twomey effect. A modified Köhler model was used to quantify the critical supersaturation for the aerosol observed at the JFJ. Ambient supersaturations were determined from the derived supersaturation curve and the calculated D50. As an example, a critical supersaturation of 0.2% was found for 100 nm particles.
Predicting HCl concentrations in fire enclosures using an HCl decay model coupled to a CFD‐based fire field model

The amount of atmospheric hydrogen chloride (HCl) within fire enclosures produced from the combustion of chloride‐based materials tends to decay as the fire effluent is transported through the enclosure due to mixing with fresh air and absorption by solids. This paper describes an HCl decay model, typically used in zone models, which has been modified and applied to a computational fluid dynamics (CFD)‐based fire field model. While the modified model still makes use of some empirical formulations to represent the deposition mechanisms, these have been reduced from the original three to two through the use of the CFD framework. Furthermore, the effect of HCl flow to the wall surfaces on the time to reach equilibrium between HCl in the boundary layer and on wall surfaces is addressed by the modified model. Simulation results using the modified HCl decay model are compared with data from three experiments. The model is found to be able to reproduce the experimental trends and the predicted HCl levels are in good agreement with measured values. Copyright © 2006 John Wiley & Sons, Ltd.
Ku-band 360-W Pulsed Solid-State Power Amplifier with Excellent Comprehensive Performance

A design method of solid-state amplifier based on hybrid power-combining technique is presented in this paper. Also a 360-W pulsed solid-state power amplifier (PSSPA) constituted of 32 monolithic-microwave integrated-circuit power amplifiers (MMIC PA) operating in Ku band is designed successfully using this method. The PSSPA mainly consists of three stages of power-combining circuits and one stage of Wilkinson power-amplify module array. The power-combining circuits are respectively based on rectangular waveguide, coaxial line and microstrip line. The proposed combiner structures have the advantages of high power capacity, high power-combining efficiency and easy heat sink design. The measured results indicated that, in the frequency range of 15.5 GHz-16.5 GHz, the average output power is 362 W and the average active power-combining efficiency is 86.95%.
Scaling functions of polymer-induced turbulent drag reduction focusing on the polymer-solvent interaction

Based on turbulent drag reduction characteristics of polystyrene and polyisobutylene in a pipe flow and a rotating-disk flow, respectively, a relationship between polymer concentration and drag reduction at a given Reynolds number was considered. The universal drag reduction equation of a three-parameter relationship between drag reduction and polymer concentration was modified using intrinsic concentration and intrinsic viscosity, and it was then found to be the most useful formula for correlating DR data, especially for polymer–solvent interactions in a turbulent flow. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 88: 1836–1839, 2003
Analytical calculation of deformations of a truss for a long span covering

Introduction. The method of induction based on the number of panels is employed to derive formulas designated for deflection of a square in plan hinged rod structure, which has supports on its sides and which consists of individual pyramidal rod elements. The truss is statically determinable and symmetrical. Some features of the solution are identified on the curves constructed according to derived formulas. Materials and methods. The analysis of forces arising in the rods of the covering is performed symbolically using the method of joint isolation and operators of the Maple symbolic math engine. The deflection in the centre of the covering is found by the Maxwell–Mohr’s formula. The rigidity of truss rods is assumed to be the same. The analysis of a sequence of analytical calculations of trusses, having different numbers of panels, is employed to identify coefficients, designated for deflection and reaction at the supports, in the final design formula. The induction method is employed for this purpose. Common members of sequences of coefficients are derived from the solution of linear recurrence equations made using Maple operators. Results. Solutions, obtained for three types of loads, are polynomial in terms of the number of panels. To illustrate the solutions and their qualitative analysis, curves describing the dependence of deflection on the number of panels are made. The author identified the quadratic asymptotics of the solution with respect to the number of panels. The quadratic asymptotics is linear in height. Conclusions. Formulas are obtained for calculating deflection and reactions of covering supports having an arbitrary number of panels and dimensions if exposed to three types of loads. The presence of extremum points on solution curves is shown. The dependences, identified by the author, are designated both for evaluating the accuracy of numerical solutions and for solving problems of structural optimization in terms of rigidity.