Miracle-dz/UniFAR-FTUs huggingface dataset:
Towards computational prediction of Biopharmaceutics Classification System: a QSPR approach

Today classification of drug candidates on the Biopharmaceutics Classification System (BCS) has become an important issue in pharmaceutical researches. In this work, we provide a potential in silico approach to predict this system using two separately classification models of Dose number and Caco-2 cell permeability. 18 statistical linear and nonlinear models have been constructed based on 803 0-2D Dragon and 126 Volsurf+ molecular descriptors to classify the solubility and permeability properties. The voting consensus model of solubility (VoteS) showed a high accuracy of 88.7% in training and 92.3% in test set. Likewise, for the permeability model (VoteP), accuracy was 85.3% in training and 96.9% in test set. A combination of VoteS and VoteP appropriately predicts the BCS class of drugs (overall 73% with class I precision of 77.2%). This consensus system predicts the BCS allocations of 57 drugs appeared in the WHO Model List of Essential Medicines with 87.5% of accuracy. A simulation of a biopharmaceutical screening assay has been proved in a large data set of 37,377 compounds in different drug development phases (1, 2, 3 and launched), and NMEs. Distributions of BCS forecasts illustrate the current status in drug discovery and development. It is anticipated that developed QSPR models could offer the best estimation of BCS for NMEs in early stages of drug discovery.
Evolutionary dynamics of algal traits and diversity

: Algae have a particularly rich evolutionary history that has not yet been comprehensively explored. We review statistical techniques to infer patterns of trait evolution and species diversification from phylogenies. We illustrate these methods using the evolution of algal thermal niches and its interaction with species diversification as a case study. We offer some perspectives for the application of these methods in other fields of phycology and the integration of micro-and macroevolutionary approaches.
Ocean bottom pressure signals around Southern Africa from in situ measurements, satellite data, and modeling

[1] Ocean bottom pressure (OBP) variability in the region of the Agulhas Current off the South African coast is a crucial variable in the understanding of dynamic processes in the ocean, but measurements currently available lack either precision or spatial and temporal coverage. We provide a quantitative estimate of OBP variability throughout the region with the help of a setup of the ROMS regional ocean model. Driving the model with boundary conditions from a global ocean model and atmospheric reanalysis data and running it for 8 years, we are able to reproduce many characteristic properties of the regional ocean circulation visible in sea surface height and OBP fields. While the in situ pressure-inverted echo sounders (PIES) measuring local OBP variations on short time scales are sparse in the region, our model provides a comprehensive estimate of OBP variations throughout the region which reach values of up to 15 hPa when barotropic Agulhas rings reach the Cape Basin. These signals turn out to be difficult to measure with current gravimetry solutions from the GRACE satellites, but estimates of localized noise levels for a GRACE follow-on mission let the search for them in future satellite measurements appear viable.
Observations on the gall rust fungus Prospodium transformans, a potential biocontrol agent of Tecoma stans var. stans (Bignoniaceae) in South Africa

Tecoma stans var. stans, a tree originating from the Americas, is emerging as an invasive weed in South Africa. A microcyclic gall inducing rust fungus, Prospodium transformans, has been investigated as a biological control agent against this plant. Development of germinating teliospores and symptoms on host plants are described, and the optimum temperature for teliospore germination was found to be 18-22oC. Inoculations of plants grown from seed originating from South Africa and various localities in Mexico and Texas (USA) indicate that there are likely races specific to morphological variants of this widespread and highly variable plant species. Despite readily inducing galls on plants grown under quarantine glasshouse conditions in South Africa, this rust fungus failed to establish in the field upon release. It is suggested that the origin of the form of this plant, which has become invasive in South Africa, needs to be identified to source the correct race of P. transformans for release in South Africa.
Low Risks, High Public Concern? The Cases of Persistent Organic Pollutants (POPs), Heavy Metals, and Nanotech Particles

ABSTRACT Risk is an ancient, historic concept; almost everybody has some subjective understanding of what is meant by it. However, there are different types of knowledge, notions, interests, and processes involved both in science-based risk assessment and subjective risk perception. In the present article, we show how risk assessment and risk perception are intricately intertwined. This is exemplified by introducing the state-of-the-art risk assessments applied to three cases (i.e., heavy metals, POPs, and nanotech particles), each with their own unique history and degree of scientific understanding. We elaborate that, when dealing with risk, actors employ different notions (e.g., pure vs. speculative risk), processes (e.g., affective involvement in case) and relations (e.g., trust depending on benefiting from risk) depending on their knowledge, concern, and interests. Finally, we argue that it is important to combine studies on risk perception and risk assessment at an early stage of technology development. The issues and problems of public risk perception are discussed.
Enhancing effect of Tiliacora triandra leaves extract on spatial learning, memory and learning flexibility as well as hippocampal choline acetyltransferase activity in mice

Objective: The present study investigates the effect of Tiliacora triandra leaf extract on spatial learning, memory, and learning flexibility as well as hippocampal choline acetyltransferase (ChAT) activity in mice. Materials and Methods: Thirty male ICR mice were randomly divided into three groups including 10% Tween 80, T. triandra 300 mg/kg and T. triandra 600 mg/kg. All administrations were done orally for 18 consecutive days. Spatial learning, memory and learning flexibility were assessed using the Morris water maze. ChAT activity and hippocampal neuronal cell number were assessed by immunohistochemistry and histological methods, respectively. Results: The results demonstrated that T. triandra leaf extract (300 and 600 mg/kg) significantly enhances spatial learning and learning flexibility. Only 300 mg/kg of T. triandra significantly improved the spatial memory. The hippocampal ChAT activity and total hippocampal cell number were significantly increased in T. triandra-treated groups. Conclusion: The present study indicated that T. triandra leaf extract improves the spatial learning, memory and learning flexibility, exerts neuroprotective effects on hippocampal neurons and maintains ChAT activity in this brain area.
Long term changes in the Baltic Sea phytoplankton community

1) Institute of Ecology and Earth Sciences, University of Tartu, Lai 40, EE-51005 Tartu, Estonia (*Corresponding author’s e-mail: kalle.olli@ut.ee) 2) Marine Research Centre, Finnish Environment Institute, P.O. Box 140, FI-00251 Helsinki, Finland 3) ICBM, University of Oldenburg, Schleusenstrasse 1, DE-26382 Wilhelmshaven, Germany 4) Department of Biology, University of Oslo, P.O. Box 1066, Blindern, N-0316 Oslo, Norway
ACTION-DERIVED AB INITIO MOLECULAR DYNAMICS

Action-derived molecular dynamics (ADMD) is a numerical method to search for minimum-energy dynamic pathways on the potential-energy surface of an atomic system. The method is based on Hamilton's least-action principle and has been developed for problems of activated processes, rare events, and long-time simulations. In this paper, ADMD is further extended to incorporate ab initio total-energy calculations, which enables the detailed electronic analysis of transition states as well as the exploration of energy landscapes. Three numerical examples are solved to demonstrate the capability of this action-derived ab initio molecular dynamics (MD). The proposed approach is expected to circumvent the severe time-scale limitation of conventional ab intio MD simulations.
Radiation transport around axisymmetric blunt body vehicles using a modified differential approximation

A moment method for computing 3-D radiative transport is applied to axisymmetric flows in thermochemical nonequilibrium. Such flows are representative of proposed aerobrake missions. The method uses the P-1 approximation to reduce the governing system of integro-di erential equations to a coupled set of partial di erential equations. A numerical solution method for these equations given actual variations of the radiation properties in thermochemical nonequilibrium blunt body flows is developed. Initial results from the method are shown and compared to tangent slab calculations. The agreement between the transport methods is found to be about 10 percent in the stagnation region, with the difference increasing along the flank of the vehicle.
Cloning and characterization of cDNAs for hormones and/or receptors of growth hormone, insulin-like growth factor-I, thyroid hormone, and corticosteroid and the gender-, tissue-, and developmental-speciWc expression of their mRNA transcripts in fathead minnow (Pimephales promelas)

Growth hormone (GH), insulin-like growth factor-I (IGF-I), thyroid hormones, and corticosteroids play central roles in a wide range of body functions but, in Wsh, information on their interactions is limited. These axes of the endocrine system are also potential targets for disruption of signaling pathways by hormone-mimicking chemicals, but have received little study. Molecular approaches oVer an eVective way to help unravel these endocrine interactions but require the appropriate gene-speciWc assays to do so. In this study, the cDNAs for a suite of hormones and/or receptors involved in signaling for the eVects of GH and IGF-I [GH, GH receptor (GHR), IGF-I, IGF-I receptor (IGF-IR)], thyroid hormones [thyroid hormone receptor (TR ) and (TR )], and corticosteroids [glucocorticoid receptor (GR)] were cloned from the fathead minnow (Pimephales promelas; fhm), and the tissue-, developmental-, and gender-related expression of their mRNA transcripts established. By polymerase chain reaction (PCR) strategy, we obtained full-length 1123-bp GH, 817-bp IGF-I, 1584bp TR , and 2571-bp GR cDNAs, coding for 210 amino acid (aa) GH, 161 aa IGF-I, 378 aa TR , and 745 aa GR putative proteins, and partial-length 158-bp GHR, 811-bp IGF-IR, and 446-bp TR cDNAs. Real-time PCR analyses revealed broad tissue expression for the target mRNAs; all targets were expressed in brain, pituitary, gill, liver, gonad, intestine, and muscle, with the exception of GH that was expressed only in the pituitary and gonad. Expression patterns in both juvenile and adult fhm were complex, with both temporal-, tissue-, and sex-speciWc characteristics. For example, hepatic expressions of GHR, IGF-I, and IGF-IR were far higher in males than in females, possibly reXecting the sex-related dimorphism in growth that occurs in this species, and TR and TR showed divergent expression patterns during development (where TR predominated) and in adult tissues implying some distinct roles for the two TR subtypes. © 2006 Elsevier Inc. All rights reserved.
Bahasa Arab di antara beberapa orang. Tahap pertama menggunakan algoritma improved DTW (Dynamic Time Warping) dan tahap kedua menggunakan SA-KM berbasis GMM (Gaussian Mixture Model). MFCC (Mel Frequency Cepstral Coefficients) dan variasi perbedaannya, seperti fitur akustik, diekstrak dari sample sua

In this paper, we discuss about the design, implementation and assessment of a two-stage Arabic speaker recognition system, which aims to recognize a target Arabic speaker among several people. The first stage uses improved DTW (Dynamic Time Warping) algorithm and the second stage uses SA-KM-based GMM (Gaussian Mixture Model). MFCC (Mel Frequency Cepstral Coefficients) and its differences form, as acoustic feature, are extracted from the sample speeches. DTW provides three most possible speakers and then the recognition results are conveyed to GMM training processes. A specified similarity assessment algorithm, KL distance, is applied to find the best match with the target speaker. Experimental results show that text-independent recognition rate of the cascaded system reaches 90 percent.
MATHEMATICAL MODEL FOR UNDERWATER COLOR CONSTANCY BASED ON POLYNOMIAL EQUATION

Nowadays, the underwater researches become one of the distinguish researches since the ocean are considered as the lungs of this world. Therefore, underwater image processing researches should be encouraged especially in the differences of color analysis between underwater and on the air objects. The colors of objects are changed when the objects are put underwater. This is due to discoloration from light scattering, refractive index, the wave, the distance of camera and environmental underwater effect. Discoloration in water is highly dependent on the intensity level and wavelength of each color image. In this paper propose polynomial equation approach to enhancement underwater color constancy. Polynomial approach is conducted through two steps: first, determining the relation between the color intensity of an image on the water surface and the color intensity of an image in a certain depth, second, determining the coefficient of constant function relation between the color intensity of an image on the water surface and the color intensity of an image in a certain depth by using least square. The result of polynomial approach is measured by using Peak Signal to Noise Ratio, yielding an average value of 19.64 and visually the result of the image color approximates its original color. It can be concluded that polynomial approach can determine the color constancy level which in turns can enhance the underwater image just as its original color.
Competitive saprophytic ability of Laetisaria arvalis compared withSclerotium rolfsii

Cook and Baker (1983) cite the work by Hartley (1921) as one of the first attempts at direct application of biological control agents (BCA) to control plant pathogens. Yet, 67 years later, Jutsum (1988) noted that only 5 % of deliberate releases of BCA had actually achieved control of the organisms that they were released to suppress. Most of these failures have been attributed to inappropriate formulations and a lack of understanding of the mode of action and ecology of the biological control organisms (Baker, 1986; Deacon, 1991). Formulation science now considers which propagules are most efficacious for control and whether amendments are needed to stimulate the BCA. Antagonism exterior to the host is classically divided into three types: antibiosis, parasitism, and competition (Baker, 1986). Laetisaria arvalis Burds. , a soilborne basidiomycete, was first isolated and identified as a Corticium sp by Odvody et al (1980). The fungus was later identified as L. arvalis by Burdsall et al (1980). Odvody et al (1980) observed hyphal interactions between L. arvalis and Rhizoctonia solani in culture and suggested that the mode of action of L. arvalis was hyperparasitism. We have shown that L. arvalis reduces the incidence of southern blight of apple seedlings caused by Sclerotium rolfsii Sacc. in the field (Conway 1995; Conway et al 1996). In addition, L. arvalis has been used The interaction of the biocontrol fungus Laetisaria arvalis with the pathogen Sclerotium rolfsii as competitors for either autoclaved beet or okra seeds in a white quartz sand matrix was examined. Densities of each fungus resulting in 100% colonization of 10 seeds were determined separately. In competitive colonization experiments, L. arvalis colonized 80 to 83% of the seeds compared with 17 to 20% for S. rolfsii, suggesting competition for organic matter as a possible mechanism for the interaction between these two fungi. © 2003 Oklahoma Academy of Science Vijaya Bobba and Kenneth E. Conway Department of Entomology & Plant Pathology, Oklahoma State University, Stillwater, OK 74078-3032 Competitive Saprophytic Ability of Laetisaria arvalis Compared With Sclerotium rolfsi
Analysis and Prediction of Log Statement in Open Source Java Projects

Log statements present in the source code provide important information about program execution which is helpful in several software development activities such as remote issue resolution, debugging, and load testing. However, log statements have a trade-off between cost and benefit and hence it is important to optimize the number of log statements in the source code. Previous studies show that optimizing log statements in the source code is a non-trivial activity and software developers often face difficulty in it. Several previous studies empirically analyze log statement and propose models for logging prediction. However, there are gaps in the literature which our study aims to address. In this work, we aim to build tools and techniques which can help developers in optimizing the number of log statements in the source code. In order to do so, we first start by performing a survey of software developers from open-source projects. We then analyze properties of logged and non-logged code constructs at multiple levels. Using inputs from our empirical analysis we then propose machine learning based models for within-project catch-blocks and if-blocks logging prediction. We extend this study for cross-project logging prediction using ensemble based machine learning techniques. Our initial results are encouraging and show the possibility of making a robust machine learning based logging prediction tool for Java projects.
Confirmatory Factor Analysis in SAS®: Application to Public Administration

When hypothesizing the factor structure of latent variables in a study, confirmatory factor analysis (CFA) is the appropriate method to confirm factor structure of responses. Learning about building CFA within any statistical package is beneficial as it enables researchers to find evidence for validity of instruments. An instrument was developed by Wright (2016) to assess Community-Based Development Organizations’ (CBDO) ability to build capacity. This study addresses the continued development of the instrument’s structure using CFA in SAS® 9.4 and examines how it contributes to enhancing an organization’s ability to create sustainable communities. Developing and evaluating the instrument is crucial due to the growing role of CBDOs in the offering of public services, yet the significant gap that exists in the literature about organizational factors affecting CBDO’s ability to build capacity. The purpose of the data analysis is to investigate this scale's factor structure of responses and address the capacity of nonprofits within the United States by surveying 1,000 organizations. Different steps for performing CFA in SAS, using primarily the CALIS procedure, are explored and their strengths and limitations are specified. Results are compared to the similar model built in Mplus, which is recommended for latent variable models. Suggestions for best practices are provided through the methodological comparison of results.
Distributed Video Coding: Principles and Evaluation of Wavelet-Based Schemes

The current scenario considered for video coding and transmission, as assumed by the MPEG standards, uses complex encoding algorithms, including motion compensation and multi-hypothesis rate-distortion optimized procedures, to achieve high compression efficiency. This is the right solution when the encoding is carried out by high performance devices, while the receivers (e.g., handheld devices or mobile phones) should be kept as simple and cheap as possible. This scenario is rapidly evolving into a new one, where users have the interest to produce and transmit video and multimedia, possibly using their mobile and battery operated lightweight devices. Of course, this calls for new multimedia coding paradigms, where the encoder is as simple as possible to reduce the computational power requested for compression and radio transmission. Similar constraints should be considered in monitoring or surveillance applications, where a number of video sensors, with limited computational power, cooperate to send video information to a receiving station. Distributed Source Coding (DSC) refers to the compression of two or more correlated sources that do not communicate with each other (hence the term distributed coding). These sources send their information to a central decoder that performs joint decoding. In this situation, the challenging problem is to achieve the same efficiency (the joint entropy of correlated sources) while not requiring sources to communicate with each other. The Slepian-Wolf Theorem is a celebrated result of information theory which assures that this unexpected result is indeed achievable. In other words, it is possible to code two correlated sources (X,Y) one independently of the other, and achieve the same performance obtainable when a coder can exploit knowledge of both. For instance, in a conventional video coder, two consecutive frames can be compressed by computing the motion compensated difference between the first and the second frame, then transmitting the first frame in intra-mode and the inter-mode coded difference frame. The Slepian-Wolf result assures that, in principle, we can achieve the same coding efficiency by coding the two frames independently, i.e., without performing a costly motion compensation operation.
Type 2 Diabetes and Indigenous Peoples Diabetes Canada Clinical Practice Guidelines Expert Committee

• Indigenous peoples living in Canada are among the highest-risk populations for diabetes and related complications. Screening for diabetes should be carried out earlier and at more frequent intervals. • Effective prevention strategies are essential and should be grounded in the specific social, cultural and health service contexts of the community. Prediabetes is an important opportunity to prevent or delay diabetes with healthy behaviour interventions and/or metformin. • Particular attention is needed for Indigenous women and girls of childbearing age, as the high incidence of hyperglycemia in pregnancy (gestational and type 2) and maternal obesity increases the risk of childhood obesity and diabetes in the next generation. Early identification of diabetes in pregnancy is important, and postpartum screening for diabetes in women with a history of gestational diabetes should be performed along with appropriate follow up. • Diabetes management targets in Indigenous peoples should be no different from the general population. A focus on building a therapeutic relationship with an Indigenous person with diabetes is important rather than a singular emphasis on achieving management targets. The current poor success at achieving management targets highlights the limitations of health services when they are not relevant to the social and cultural contexts of Indigenous peoples. • A purposeful process of learning and continuous self-reflection is required by the health-care worker to integrate Indigenous-specific contexts within the clinical approach to diabetes management.