Miracle-dz/UniFAR-FTUs huggingface dataset:
Bulk and Surface Conformations in Solid-State Lovastatin: Spectroscopic and Molecular Dynamics Studies

Conformational flexibility in molecules can give rise to a range of functional group terminations at crystal surfaces and dynamic disorder in the bulk. In this work, we explore the conformational behavior of the drug molecule lovastatin in the crystallographically disordered solid and at crystal surfaces through a combination of computational modeling and spectroscopy. Gas-phase and periodic quantum-chemical calculations are used to study the potential energy surface associated with rotatable bonds to examine the disorder in bulk. These calculations are combined with vibrational and X-ray photoelectron spectroscopy measurements to obtain insight into the conformations in bulk and at the surface. Our MD simulations show that the bulk disorder is driven by cooperative motion of the butyl group on the S-butanoate moiety along one crystallographic direction beyond a unit cell. The calculations show that the O-H group can rotate relatively freely between two low-energy conformers in the gas phase but is locked in position by intermolecular H-bonding interactions in the bulk crystal, and we find tentative spectroscopic evidence for the second conformer being present at the surface. We also comment on the relative utility of these different techniques for studying molecular conformation in bulk and at surfaces and highlight possible areas for future developments.
Effect of Disordered Gut Microbiota on Serum Metabolome Alterations in Colorectal Tumor-Bearing Mice Under The Intervention of Fufangchangtai

Background: The occurrence and development of colorectal cancer is related to the compositional and functional variation of gut microbiota. Compared with healthy people, gut microbiota of patients with colorectal cancer is in disorder. Most traditional Chinese Medicine is effective by oral administration and has both anti-tumor effect and enteric microecological regulative effect. However, whether the dysbiosis of gut microbiota under tumor burden affects the serum metabolome of human body that related to traditional Chinese medicine is unclear. In this study, Fufangchangtai (FFCT) was chosen to be the model prescription to explore the correlation between gut microbiota and the serum metabolism related to FFCT in anti colorectal cancer treatment. Results: The gut microbiota between colorectal tumor-bearing mice and healthy mice were determined by 16S rRNA gene sequencing, showing quite differences between the two groups and suggesting that Firmicutes , Deferribacteres , Bacteroidetes and Proteobacteria were marked differential intestinal bacteria. The alternations in serum metabolome in the FFCT-treating tumor-bearing mice and simple FFCT-treating mice were detected using Liquid chromatogragh-mass spectrometer (LC/MS), showing significant differences between the two groups as well. Metabolites of FFCT like Citric acid, （±）12-HEPE, Cycloartanyl ferulate were much more in simple FFCT-treating mice, indicating that the present of tumor could affect the absorption and metabolism of FFCT. Additionally, these differential metabolites of FFCT involved in multiple pathways including the Alanine, aspartate and glutamate metabolism, Central carbon metabolism in cancer, Biosynthesis of amino acids. Different doses of FFCT were given to the tumor-bearing mice through oral administration, and the results of gut microbiota 16S rRNA gene sequencing showing that FFCT-treating groups has higher abundance of Firmicutes , Turicibacter and Roseburia than tumor-bearing group, moreover, the abundance of these bacteria was positively correlated to the drug concentration. Firmicutes and Bacteroidetes in FFCT-treating groups showed a similar trend with Healthy group, indicating the modulation of FFCT on gut microbiota of colorectal tumor-bearing mice.Conclusions: Collectively, we concluded that the dysbiosis of gut microbiota in tumor-bearing mice could affect the serum metabolome of human body that related to FFCT, and FFCT could correct the gut microbiota of colorectal tumor-bearing mice. It was pointed out that the GM should be concerned during the therapy of FFCT. The more healthier intestinal microenvironment was conductive to the better clinical curative effect.
Taste and Freshness of Cooked Rice Using a Superheated Steam Rice Cooking Machine

Hatsuho Takemitsu , Yasuhiro Hayashi, Yoshihiro Sako and Shinichi Kitamura* 1 Graduate School of Life and Environmental Sciences, Osaka Prefecture University, Gakuencho, Naka-ku, Sakai, Osaka 599-8531 2 International Polysaccharide Engineering (IPE) Inc., Center for R&D of Bioresources, Osaka Prefecture University, Gakuencho, Naka-ku, Sakai, Osaka 599-8570 3 Acesystem Co., Ltd, 41-2, Mancho, Izumi, Osaka 594-1104
One context fits all? – analysing students’ context choice and their reasons for choosing a context-based task in chemistry education

ABSTRACT Context-based learning has become increasingly influential in science education over the last 40 years. However, it is still unclear which types of contexts foster students’ interests and learning achievements and are appropriate for science classes. While contexts are usually selected by teachers or curriculum developers, this study focusses on the students’ perspective. The central aim of this research project is to analyse which context students choose for their science learning and why they choose a specific context. Therefore, a questionnaire study has been conducted in German grammar schools. The data analysis illustrates that students choose significantly different contexts depending on their individual variables like gender or individual interest in the subject. Additionally, it is possible to identify different reasons for selecting a specific context in chemistry. When comparing students’ individual variables, significant relations between students’ individual interest as well as their last grades in chemistry and their motives for choosing a context can be found. A cluster analysis has produced three clusters for describing students’ explanation patterns for selecting a context. Overall, the results of this study allow first conclusions about the question which types of contexts ought to be implemented in science classes for specific groups of students.
Effect of corporate governance and earnings management on expense stickiness

This study aims to examine and analyze the effect of corporate governance and earnings management on expense stickiness. By defining small positive earnings or small earnings increases as the proxy of earnings management and divides the sample into earnings management (upward earnings management) and non-earnings management. This study uses a broad measure of corporate governance by extracting the main factors of corporate governance. The sample obtained is 251 company samples for earnings management samples and 133 companies for corporate governance samples and processed using the Multiple Linear Regression method using the regression model from the research of Xue and Hong (2016). The results showed that corporate governance can reduce the level of expense stickiness. However, the results of this study cannot prove that earnings management can reduce the level of expense stickiness, but this research proves that companies that do not indicate earning management influence the existence of expense stickiness.
Does global economic policy uncertainty drive tourism demand? A cross-country analysis

ABSTRACT Previous tourism-uncertainty assessments have employed annual or quarterly time-series, which tends to suppress the often critical short-run deviations of uncertainty. This paper utilizes higher frequency (monthly) data to examine the effects of global economic policy uncertainty (GEPU) on tourist arrivals for a panel of 19 countries. We adopt pooled mean group (PMG), dynamic ordinary least square (DOLS) and fully modified ordinary least square (FMOLS) for analysis. We find that the effects of uncertainty on tourism demand are negative in the short-run. Conversely, the sign of the long-run GEPU coefficient is found to be positive. And, this is confirmed by alternate estimators adopted for analysis. Overall, our results suggest that tourism and policy uncertainty share a complicated relationship, therefore, policymakers should bear this in mind when forecasting tourism demand across different time spans.
Does Maternal Arachidonic Acid Influence the Neurodevelopmental Effects of Docosahexaenoic Acid?

During the last trimester of gestation and for the first 18 months after birth, docosahexaenoic acid,22:6n-3 (DHA) and arachidonic acid,20:4n-6 (ARA) deposited within the cerebral cortex at a rapid rate. The mode of action of these two fatty acids and their derivatives at different structural-function and signaling pathways levels in the brain have been continuously emanating. These fatty acids are also involved in various brain developmental processes; however, their mechanisms of action are not yet well known. Recent data suggest that there may be a need for a balanced proportion of ARA and DHA in infant formula due to their complementary benefits. This review describes the importance of maternal preferential transfer of ARA and DHA to support the infant's optimal brain development and growth and functional roles in the brain.
Dynamic Behavior of Coal Pillar under Different Load Percentage by Numerical Simulation

The stability and dynamic response of coal pillar is of great importance in underground coal mining. In this paper, a series of uniaxial compressive experiments were first carried out to investigate the mechanical properties of coal. Subsequently, a statistical constitutive damage model for coal was proposed and applied to the numerical simulation. The proposed strain damage softening function showed almost the same goodness-of-fit on the experimental curve. According to this investigation, a numerical model FLAC3Dwas created to investigate the dynamic behavior of the coal pillar under different load percentage (LP). Modelling suggests that the incident and transmitted wave stress evolution observes similar rule and its process can be divided into three stages, namely, static preload, dynamic disturbance, and stabilized stages. The effects of dynamic disturbance intensity are also studied at 10 MPa, 20 MPa, and 30 MPa of peak stress, respectively. The results indicate that under the same load percentage, the peak incident and transmitted wave stress increase with the increase of dynamic disturbance intensity. On the contrary, the attenuation decreases. It is also observed that the failure zone interior the coal can be predicted by the wave propagation.
Toxicity Studies on Aqueous-Methanol Pod Extract of Vigna unguiculata (Cowpea) in Wistar Strain Albino Rats

Herbal preparation of Vigna unguiculata (cowpea) pod has long been used by a group of Hausa people from northern Nigeria called Yan tauri performers and traditional healers. This study was conducted to evaluate the toxicological effect of the extract in Wistar strain albino rats using biochemical, haematological and histopathological indices of toxicity. Acute toxicity (LD50) and sub-chronic toxicity studies were determined using the method developed by OECD. Twenty five rats grouped into 5 of 5 each, one of the groups serving as control, were orally administered with the extract at a daily dose of 400 mg/kg, 800 mg/kg, 1200 mg/kg and 1600 mg/kg of the extract respectively for 28 days. The LD50 of the extract was greater than 5000 mg/kg and its oral administration for 28 days did not produce significant changes (P˃0.05) on biochemical and haematological indices. Histopathological evaluation revealed mild widening of Bowmans capsule of animals administered with 1200 mg/kg and 1600 mg/kg of the extract. It can thus be concluded that the pod is non-toxic.
Perceived value and student reflective learning from industry site visits in an engineering study abroad program

ABSTRACT This paper explores students’ perceived value of industry site visits during an engineering study abroad program. In this multi-method study, we collected data from students’ (n = 54) reflective activities following each of two site visits and from the end of program evaluation administered by the Student Abroad Office (SAO). Using Kember et al.’s [2008. “A Four-Category Scheme for Coding and Assessing the Level of Reflection in Written Work. ” Assessment and Evaluation in Higher Education 33 (4): 369–379. doi:10.1080/02602930701293355] work as a theoretical framework, we analyzed student reflective activities for the level of reflection represented to determine the learning that resulted from the site visits. Findings indicated most students did not demonstrate the reflection level of thought on Kember et al.’s model, yet the SAO survey results showed that the industry site visits were a valuable academic experience of the study abroad program. We conclude with implications for research and practice.
Analytical solution for one-dimensional consolidation of unsaturated soil deposit subjected to step loading

This paper discusses a simple yet precise analytical solution for one-dimensional (1-D) consolidation of an unsaturated soil deposit subjected to a step loading. This solution is derived from nonlinear governing equations of flow using eigenfunction expansions and Laplace transform techniques. In addition, the mathematical development adopts one-way drainage condition for the unsaturated soil, in which the top boundary is permeable to the air and water phases whereas the base is impervious to these phases. Eigenfunctions and eigenvalues are parts of the general solution and can be obtained based on the proposed drainage boundary condition. Furthermore, uniformly distributed initial pore pressures can be used to determine the initial generalised Fourier coefficients. The Laplace transform method is adopted to solve the first-order differential equations. Once the equations with transformed domain are obtained, the final solutions, which are proposed to be functions of time (t) and depth (z), can be achieved by taking an inverse Laplace transform. A worked example is provided to present the consolidation characteristics of unsaturated soils based on the proposed solution. Significance of air to water permeability ratio on the excess pore-water and pore-air pressure dissipation and compression is investigated and discussed.
Distributed Information Exchange With Low Latency for Decision Making in Vehicular Fog Computing

Traditional decision making in a vehicle network includes uploading vehicle sensing data to faraway cloud platforms and then returning correlated results to the vehicles. The data have features of large quantity and high redundancy, which causes high communication latency and vehicle applications to deteriorate. Vehicular fog computing (VFC) is a new network paradigm that uses local fog nodes for decision making. However, how to achieve distributed information exchange with low latency is a challenging issue because the connectivity of the vehicle network is low due to vehicle mobility. In this article, a distributed information exchange scheme with low latency in VFC is proposed. First, considering the frequent changes in vehicle positions and the randomness in driving routes, public transportation facilities with a wider driving range such as buses and taxis are used as fog nodes to increase the probability of uploading data. Then, the fog nodes should dynamically adjust the data sampling frequency according to the time-space correlation of the data to ensure that only nonredundant data are received. To minimize the interruption latency caused by accidents during an exchange, the fog nodes evaluate and predict connection states among them and their neighboring vehicles when establishing exchanges. If a fog node finds that a vehicle cannot complete information exchange because the vehicle may move outside its communication range in a future period, it will recalculate an optimized relay route for the vehicle by using mixed integer programming. Theoretical analysis and simulation results show that compared with the existing work, the proposed scheme can completely exchange all vehicle data with lower latency.
A comprehensive review on intelligent islanding detection techniques for renewable energy integrated power system

Renewable sources of energy are used extensively in the distribution grid to meet the need for growing electricity demand and to resolve the global heating crisis caused by traditional energy sources. They offer many advantages like better efficiency, power quality, and lower air pollution. One of the vital issues with these integrations is islanding condition arising due to the sudden disconnection of grid because of some abnormal situations; however, the distributed generation (DG) retains the power supply to the local loads. Thus, efficient detection of islanding and quick detachment of DG are vital to prevent failure of equipments, grid safety disruption, and risks to personnel safety. In this context, this article represents a comprehensive review of islanding issues and different islanding detection methods (IDMs) that provide a detailed assessment for filling the research gap and thereby highlights the various issues related to island detection. A broad classification of IDMs is established based on the conventional and modern techniques such as local (Active, Passive & Hybrid) and remote IDMs with their detailed illustrations including both intelligent and signal processing‐based IDMs. Comparison of various IDMs based on their merits, demerits, and various performance analysis including the non‐detection zone, detection time, quality factor, power quality, effect on a microgrid, implementation cost, and applicability in multi‐DG system is provided. Hence, this review will provide an insight for the new researchers interested in the area highlighting the different islanding detection techniques with their relative merits and demerits.
MS-TR: A Morphologically enriched sentiment Treebank and recursive deep models for compositional semantics in Turkish

Abstract Recursive Deep Models have been used as powerful models to learn compositional representations of text for many natural language processing tasks. However, they require structured input (i.e. sentiment treebank) to encode sentences based on their tree-based structure to enable them to learn latent semantics of words using recursive composition functions. In this paper, we present our contributions and efforts for the Turkish Sentiment Treebank construction. We introduce MS-TR, a Morphologically Enriched Sentiment Treebank, which was implemented for training Recursive Deep Models to address compositional sentiment analysis for Turkish, which is one of the well-known Morphologically Rich Language (MRL). We propose a semi-supervised automatic annotation, as a distant-supervision approach, using morphological features of words to infer the polarity of the inner nodes of MS-TR as positive and negative. The proposed annotation model has four different annotation levels: morph-level, stem-level, token-level, and review-level. Each annotation level’s contribution was tested using three different domain datasets, including product reviews, movie reviews, and the Turkish Natural Corpus essays. Comparative results were obtained with the Recursive Neural Tensor Networks (RNTN) model which is operated over MS-TR, and conventional machine learning methods. Experiments proved that RNTN outperformed the baseline methods and achieved much better accuracy results compared to the baseline methods, which cannot accurately capture the aggregated sentiment information.
Dynamic Changes in Antioxidant Activity during Floral Development of Couroupita guianensis

Aims: To establish and optimize the in vitro antioxidant activity of methanolic extract of flower of C. guianensis at different developmental stages. Place and Duration of Study: Plant Physiology and Pharmacognosy Research Laboratory, Department of Botany, University of North Bengal, Siliguri, between December 2010 and November 2011. Methodology: The antioxidant activities of methanolic extracts of C. guianensis flower of different developmental stages were investigated spectrophotometrically against DPPH, ABTS, H2O2, NO, superoxide, hydroxyl radical and lipid peroxidation, along with ferric reducing power, metal chelating and β-carotene bleaching assay were performed. Total phenols, flavonoids and ortho-dihydric phenols were also determined by folin-ciocalteu, aluminium chloride and Arnow's reagent based standard methods respectively. Results: The methanolic extract of floral stage-I was found to possess higher level of phenolic content, flavonoids as well as ortho-dihydric phenol content. The younger floral Original Research Article British Journal of Pharmaceutical Research, 4(6): 676-694, 2014 677 stages, stage-I and stage-II were observed with highly potential free radical scavenging activity, while stage-III showed highest degradation rate for β-carotene bleaching assay and stage-IV showed highest anti-lipid per oxidation activity against thiobarbituric acid. Conclusion: The results demonstrated that the early floral stage showed the highest polyphenolic content and best antioxidant activity, therefore the early stages of this flower is suggested as the best harvest stage for medicinal purposes. Further studies are required for the isolation of active principles responsible for its antioxidant activity.