nils-herrmann/clean_scirepeval huggingface dataset:
A molecular dynamics simulation of premelting effect in AgBr

The effect of premelting in silver bromide crystals has been simulated for the first time. It is shown that at the temperature about 150°C lower than the melting point of silver bromide, a considerable increase in the mobility in the cationic sublattice is observed, whereas the (self-)diffusion coefficient of silver ions attains values exceeding 10−6 cm2/s. The assumption about the superionic nature of conductivity in the region of premelting is confirmed by the break of the long-range order in the cationic subsystem, which, in turn, is confirmed by the comparison of the pair cation-cation correlation functions far from and in the vicinity of the melting point. It is established that the premelting effect correlates with the experimentally observed effect of a considerable increase in ionic conductivity in the vicinity of the melting point. It is shown that the premelting effect in AgBr is similar to the diffuse superionic phase transition in anionic conductors of the MF2 family (M = Ca, Ba, Sr, and Pb).

Field of study: Materials science
Proinflammatory cytokines in early childhood caries: Salivary analysis in the mother/children pair

HighlightsHigh consumption of added sugars has been associated with caries and obesity.VEGF were correlated with caries, waist circumference and sugar intake in mothers.IL‐6 are correlated with the severity of caries in the mother‐children pair. &NA; Hypothesis: Proinflammatory cytokines are increased in saliva of mother/children pairs with caries.  Case‐control study involving caries‐free children (n = 20) and children with early childhood caries (ECC) (n = 20), and their mothers (n = 40). The maternal variables analyzed were waist circumference (WC), decayed, missing and filled teeth (DMFT) and sugar intake; and in the children were body mass index (BMI), def‐t and sugar intake. Salivary levels of VEGF, IL‐6 and TNF‐&agr; were analyzed of mother/children pairs.  In the mothers, salivary VEGF levels were correlated with DMFT (r = 0.35; p = .03), WC (r = 0.35; p = .02), and sugar intake (r = 0.32; p = .04). Higher salivary IL‐6 levels were also correlated with maternal DMFT (r = 0.45; p = .004) and WC (r = 0.32; p = .04). In the children, higher salivary VEGF levels were correlated with higher def‐t scores (r = 0.42; p = .008). Children with caries had a 63% higher median salivary VEGF and twofold higher mean IL‐6 levels compared to caries‐free children. Mothers of children with ECC showed higher mean of salivary IL‐6 levels compared to those of children without ECC (p = .03).  Salivary proinflammatory cytokines are correlated with the severity of caries in the mother‐children pair. Obesity and excessive sugar consumption seem to underlie the associations between proinflammatory cytokines and caries in the family environment.

Field of study: Medicine
Preparative Isolation of Anthocyanins from Purple Sweet Potato by High-speed Counter-current Chromatography

High-speed counter-current chromatography(HSCCC) was successfully applied to separate and purify anthocyanins from purple sweet potato.With a two-phase solvent system composed of n-butanol-ethylacetate-0.5% acetic acid(3∶1∶4,V/V),the upper phase as stationary phase,the lower phase as mobile phase at a flow rate of 2.0 mL/min,and injection volume of 300 mg,a mixgure of two anthocyanins was received by undertaking HSCCC.Subsequently,a refining HSCCC was performed to separate and purify these two compounds,with a two-phase solvent system of 0.2% trifluoroacetic acid-n-butanol-methyl tertiary butyl ether-acetonitrile(6∶5∶2∶1,V/V),the upper phase as stationary phase,the lower phase as mobile phase at a flow rate of 1.5 mL/min,and injection volume of 100 mg.the two compounds were obtained separately with purities of 98.5% and 96.7%,respectively.The chemical structures of the two isolated compounds were identified by UV-VIS、ESI-MS/MS and NMR.Compound 1 was identified as peonidin 3-O-{6-O-(E)-caffeyl-2-O-[6-O-(E)-p-hydroxybenzoy-β-D-glucopyranoside]-β-D-glucopyranoside}-[5-O-(β-D-glucopyranoside)] and Compound 2 was identified as peonidin3-O-{6-O-(E)-caffeyl-2-O-[6-O-(E)-ferulyl-β-D-glucopyranoside]-β-D-glucopyranoside}-[5-O-(β-D-glucopyranoside)].63 mg of Compound 1 and 48 mg of Compound 2 were obtained from 450 g of purple sweet potato.In conclusion,counter-current chromatography was shown to be an efficient,stable and reliable technique for the isolation of anthocyanins from purple sweet potato.

Field of study: Chemistry
Experiences and Perspectives of University Admission Officers and High School Teachers on School-Record-Based Student Selection and Its Fairness

우리나라 대입전형의 변화 중 가장 두드러진 변화로 학생부종합전형의 도입을 들 수 있다. 학생부종합전형은 급격히 확대되며 대표적인 대입전형으로 자리 잡고 있으나 공정성에 대한 우려 또한 적지 않다. 일부의 우려에도 불구하고 학생부종합전형이 확대되는 배경으로 학생의 학업성적 외에 잠재력, 소질 등 정성적 요소를 고려할 수 있다는 장점을 들 수 있다. 본 연구에서는 학생부종합전형의 장점을 살리면서 실시 과정에서 나타날 수 있는 문제점을 보완하는 방안을 탐색하고자 하였다. 이를 위해 이 연구에서는 입학사정관 및 고등학교 교사를 대상으로 한 선택형 설문조사와 함께 개방형 심층설문을 통해 학생부종합전형의 공정성에 대한 인식과 경험을 살펴보고 학생부종합전형에 대한 개선방안을 도출하고자 하였다. 분석 결과, 조사에 참여한 입학사정관들은 학생부종합전형을 대학의 학생 선발에 적합한 전형으로 여기고 있었으며, 모집 규모도 현재와 같은 수준 유지 또는 그 이상으로의 확대를 제안하고 있었다. 학생부종합전형에서 중점적으로 반영해야 할 요소로는 무엇보다 학교생활기록부를 꼽았으며, 면접과 자개소개서를 통해 학생들이 스스로를 드러낼 수 있는 기회가 주어져야 한다고 인식하고 있음 또한 확인되었다. 교사들은 신뢰도에 대한 우려 등의 측면에서 입학사정관과 유사한 인식을 보였으나 학교생활기록부 작성에 대한 교사들만의 어려움도 제시하였다. 조사결과를 바탕으로 학생부종합전형의 장점을 지키되, 공정성 제고를 위한 노력 및 후속연구의 필요성을 제안하였다.

Field of study: Computer science, Engineering
Estimation in Covariance Components Models

Estimation techniques for linear covariance components models are developed and illustrated with special emphasis on explaining computational processes. The estimation of fixed and random effects when the variances and covariances are known is presented in Bayesian terms, Point estimates of the unknown variances and covariances are computed using the EM algorithm for maximum likelihood estimation from incomplete data. The techniques are illustrated with data on law schools, field mice, and professional football teams.

Field of study: Mathematics
Stakeholders' views on reducing financial support in government-led ecotourism areas

Government-led ecotourism, which is common in developing countries, produces several tangible outputs, such as the certification of international institutes for high-quality ecological landscaping, as well as increased tourism and associated socio-economic benefits. Nonetheless, the overall structure of government-led ecotourism can be weakened by changes in a government's policy. This study analyses the reasons behind the reduction of governmental support for ecotourism in the South Korean island of Jeung-do. In order to study stakeholders' views, Q methodology was used. The results showed that existing managerial staff and local officials, both being hostile to external interference, focused on gradual independence from governmental support. Furthermore, only new managerial staff desired the rapid growth dependent on government and external capital. These results illustrate that the more experience managers have with managing ecotourism activity itself, the less supportive they are of external support and rapid economic growth (at the expense of the environment). For this reason, in order to ensure long-term environmental conservation and economic sustainability, government policy changes should not lead to the replacement of existing personnel or dependence on governmental support.

Field of study: Environmental science
Strength without Size Effect and Formula of Strength for Concrete and Natural Marble

Throughout the several-hundred-year-long history of the concept of strength, inaccurate material strength as a result of the size effect and the inconsistency of strength theories have been two continuous and challenging issues, and have even been taken to be inherent attributes of material strength. Applying the structural stressing state theory and method, this study experimentally investigates the uniaxial load-bearing process of concrete specimens and reveals their stressing state mutation features at specific load levels. Exploration of this general feature resulted in the discovery of essential strength, which is basically without size effect. Then, biaxial and triaxial experiments with concrete specimens were conducted in order to obtain the results for various combinations of principal stresses on essential strength. Consequently, according to Yu’s unified strength theory, the formula for strength of concrete was determined by fitting the relation between the combined principal stresses and the essential strength, which was verified by experiments carried out using natural marble specimens. Essential strength could promote the accuracy of strength indices, and the formula for strength might replace the existing strength theories for brittle materials. The initial solution of these two classic issues could make a new contribution to Yu’s unified strength theory and its final goal, promoting related research on material strength and leading to a more rational use of material strength in practical engineering.

Field of study: Materials science
Dinosaur sanctuary on the Chatham Islands, Southwest Pacific: First record of theropods from the K-T boundary Takatika Grit

Cretaceous-Tertiaty (K-T) boundary (ca. 65 Ma) sections on a Southwest Pacific island containing dinosaurs were unknown until March 2003 when theropod bones were recovered from the Takatika Grit on the remote Chatham Islands (latitude 44 degrees S, longitude 176 degrees W), along the Chatham Rise. Tectonic and palaeontologic evidence support the eastward extension of a ca. 900 km land bridge that connected the islands to what is now New Zealand prior to the K-T boundary. The Chathams terrestrial fauna inhabited coastal, temperate environments along a low-lying, narrow, crustal extension of the New Zealand subcontinent, characterised by a tectonically dynamic, volcanic landscape with eroding hills (horsts) adjacent to flood plains and deltas, all sediments accumulating in grabens. This finger-like tract was blanketed with a conifer and clubmoss (Lycopodiopsida) dominated forest. The Chatham Islands region would have, along with New Zealand, provided a dinosaur island sanctuary after separating from the Gondwana margin ca. 80 Ma.

Field of study: Environmental science, Geography
The Balkan Area Development: Threats and Opportunities for Italian Companies’ Investment Strategies

The globalisation of markets has called for, among others, two complementary requirements: on the one hand, the need to develop policies that are able to attract FDI (Foreign Direct Investment) by a number of transition economies, in order to boost the economic growth of the countries concerned and reduce the technological and socio-economic gap that separates them from the industrialised economies; on the other, the priority choice for companies to promote internationalisation, that is now considered as a necessary step to safeguard their competitiveness.In particular, the analysis carried out starts with the evolution of the Balkan market, by collecting and describing  the macroeconomic data concerning the four Western Balkans countries (Albania, Macedonia, Montenegro, Serbia), representing those economies that are likely to join the EU in the coming years following the process started (official candidacy or accession negotiations).Thus, the first part of the present paper aims at describing and analysing the operational and strategic behaviour of Italian companies, as well as their process of internationalisation in the abovementioned economies.The analysis was carried out through submitting a questionnaire to managers and employees of companies operating in the Balkans; the results highlighted the main areas of the companies’ international management decision-making process (internationalisation decision, operating methods adopted and the results achieved).Afterwards, the second part of the research sets the focus on the attractiveness degree reached in the area, following the reforms made by local governments that helped in improving the business climate, leading many Italian investors to operate in that area.

Field of study: Business
Outlines of Appalachian Structure

The subject of Appalachian structure is one of the most interesting in geology in that it affords the greatest example of mountain structure in the world. All stages of deformation from undisturbed rocks to beds folded, overturned, broken, mashed, and metamorphosed are seen throughout the entire length of the system, 2,000 miles from Alabama to Newfoundland. The connecting links between the types of structure are finely exposed and the chain is complete. The rocks exposed range from earliest Precambrian to Tertiary, and the depths of the earth are laid bare in the heart of the range in a manner nowhere equaled. The beginning of the study of the Appalachians practically coincides with the beginning of American geology about 100 years ago. The principal structures of the folded sediments were made known by the work of the Rogers brothers in Pennsylvania and Virginia about 80 years ago. Substantial contributions were . . .

Field of study: Geology
Integrin Linked Kinase (ILK) Downregulation as an Early Event During the Development of Metabolic Alterations in a Short-Term High Fat Diet Mice Model.

Diabetes type 2, metabolic syndrome or non-alcoholic fatty liver disease are insulin resistance-related metabolic disorders, which lack a better prognosis before their full establishment. We studied the importance of the intracellular scaffold protein integrin linked kinaes (ILK) as a key modulator in the initial pathogenesis and the early progression of those insulin resistance- related disorders.



Adult mice with a global transgenic downregulation of ILK expression (cKD-ILK) and littermates without that depletion (CT) were fed with either standard (STD) or high fat (HFD) diets during 2 and 6 weeks. Weights, blood glucose and other systemic biochemical parameters were determined in animals under fasting conditions and after glucose or pyruvate intraperitoneal injections to test their tolerance. In RNA or proteins extracted from insulin-sensitive tissues, we determined by reverse transcription-quantitative PCR and western blot the expression of ILK, metabolites transporters and other metabolism and inflammatory markers. Glucose uptake capacity was studied in freshly isolated tissues.



HFD feeding was able to early and progressively increase glycaemia, insulinemia, circulating glycerol, body weight gain, liver-mediated gluconeogenesis along this time lapse, but cKD-ILK have all these systemic misbalances exacerbated compared to CT in the same HFD time lapse. Interestingly, the tisular expression of ILK in HFD-fed CT was dramatically downregulated in white adipose tissue (WAT), skeletal muscle and liver at the same extent of the original ILK downregulation of cKD-ILK. We previously published that basal STD-fed cKD-ILK compared to basal STD-CT have different expression of glucose transporters GLUT4 in WAT and skeletal muscle. In the same STD-fed cKD-ILK, we observed here the increased expressions of hepatic GLUT2 and WAT pro-inflammatory cytokines TNF-α and MCP-1. The administration of HFD exacerbated the expression changes in cKD-ILK of these and other markers related to the imbalanced metabolism observed, such as WAT lipolysis (HSL), hepatic gluconeogenesis (PCK-1) and glycerol transport (AQP9).



ILK expression may be taken as a predictive determinant of metabolic disorders establishment, because its downregulation seems to correlate with the early imbalance of glucose and glycerol transport and the subsequent loss of systemic homeostasis of these metabolites.

Field of study: Biology, Chemistry
AC losses in Bi-2223 tapes and in the 1-kA transmission line model

The authors present here results of their study of the 5 m long AC transmission line model with 1 kA current capability at 77 K. Primary attention was paid to the current characteristics and AC losses in individual tapes and in the core of the cable. The losses were measured as a function of AC magnetic field amplitude in various orientations of magnetic field with respect to the plane of the tape and filaments. Hysteresis losses were close to the losses in the AC regime, meaning that eddy current losses in tapes may be neglected when compared with hysteresis losses. They designed and constructed a 5 m long model of the AC transmission line using multifilamentary Bi-2223 tapes. The current core of the model contains 120 tapes for the forward line and 120 tapes for the backward line. AC losses in the current core were substantially greater than those seen in the individual tapes. The reason for this is related to a complex magnetic field distribution inside the current core.

Field of study: Physics
Lithium dosing strategies during pregnancy and the postpartum period

Lithium is challenging to dose during pregnancy.  To provide guidance for dosing lithium during pregnancy.  Retrospective observational cohort study. Data on lithium blood level measurements (n = 1101), the daily lithium dose, dosing alterations/frequency and creatinine blood levels were obtained from 113 pregnancies of women receiving lithium treatment during pregnancy and the postpartum period.  Lithium blood levels decreased in the first trimester (−24%, 95% CI −15 to −35), reached a nadir in the second trimester (−36%, 95% CI −27 to −47), increased in the third trimester (−21%, 95% CI −13 to −30) and were still slightly increased postpartum (+9%, 95% CI +2 to +15). Delivery itself was not associated with an acute change in lithium and creatinine blood levels.  We recommend close monitoring of lithium blood levels until 34 weeks of pregnancy, then weekly until delivery and twice weekly for the first 2 weeks postpartum. We suggest creatinine blood levels are measured to monitor renal clearance.

Field of study: Medicine, Psychology
[Adaptive evolution of the hemagglutinin genes of the H6N1 avian influenza virus in Taiwan, China].

In Taiwan, the first human-infecting H6N1 avian influenza virus was isolated in 2013. To better understand the origin, evolutionary relationship and pathogenesis of the H6N1 virus, we studied the adaptive evolution and evolutionary dynamics of the hemagglutinin (HA) genes of the H6N1 virus in Taiwan. We felt that such studies woud contribute to the further study and control of the virus. Datasets were gained from the Flu and Global Initiative on Sharing All Influenza Data (GISAID) databases. Then, phylogenetic trees and evolutionary dynamics were reconstructed. The evolutionary rate and characterization of adaptive evolution were analyzed by bioinformatic methods. Results indicated that the HA genes of H6N1 in Taiwan were divided into at least five types, and that the new types that the infected human H6N1 belonged to could be local advantage type at present. Evolutionary dynamics revealed the viral population expanded first at the end of 1971, reduced sharply in 2008, and then increased slightly. Three sites were identified under positive selection, suggesting that various sites might increase the adaptive ability of the virus. Eighty-nine sites were under negative selection, revealing that these sites might play an important role in the replication and epidemiology of the virus. Interestingly, site 329 upstream from the cleavage site was also under negative selection, suggesting that this site might be associated with the virulence of H6N1. These data suggest that the HA genes of the Taiwanese H6N1 virus have been undergoing adaptive evolution, and that an outbreak may occur again. Hence, more attention should be paid to the identified sites, to enable timely monitoring and control of a future epidemic.

Field of study: Biology
Establishing a multi-criteria evaluation structure for tourist beaches in Taiwan: A foundation for sustainable beach tourism

The objective of this paper is to identify factors affecting beach environments and to establish a multi-criteria evaluation structure for tourist beaches. This structure is intended to inform beach managers on where and how they should invest resources to achieve sustainable beach tourism. A critical review of literature related to beach quality criteria was made. Interviews with experts were conducted in the identification of factors with respect to a high-use tourist beach in southern Taiwan. Four major dimensions were extracted from a number of factors using factor analysis: cleanliness of beach environments, safety, beach protection and management, and facilities and services. The fuzzy analytical hierarchy process (AHP) approach, a decision-making method based on pair-wise comparisons between criteria, was then used to construct a three level evaluation structure with criteria and associated weights for beach managers. The results show that cleanliness of beach environments and safety are considered relatively important factors in the second level. Among 15 attributes, water quality standards, clean beaches, safe access to beaches, management of different uses, sediment and habitat management, information provision, controlled waste discharge, and a beach management committee are the top half rankings in the third level. Management implications from the findings were discussed, with an emphasis on managing beach in an integrated manner. At last, a step-by-step model was highlighted as a practical way to assist policy makers to find priority factors and engage in effective beach management.

Field of study: Environmental science
Zur Abschätzung der Dicke der Beilby-Schicht

ZusammenfassungMit Hilfe des Oxydhaut-Abdruckverfahrens der Elektronenmikroskopie kann man prüfen, ob die sich auf dem Metall bildendeBeilby-Schicht dicker oder dünner als 150 Å ist (A.).Die Analyse der Beugungsbilder, die von der scharfen Kaute eines keilförmigen Metallstückes erzeugt wurden, führte zur ungefähren Abschätzung der Dicke (etwa 250 Å) der umgewandeltenBeilby-Schicht (B.).

Field of study: Physics
Effect of Cs+ Fraction on Photovoltaic Performance of Perovskite Solar Cells Based on CsxMA1−xPbI3 Absorption Layers

In this paper, we report the effect of the Cs+ fraction x on the structure, morphology and optical properties of mixed organic–inorganic cation CsxMA1−xPbI3 absorption layers prepared using an anti-solvent-assisted one-step solution deposition method in an ambient environment. By changing the ratios of cesium iodide (CsI) to methyl iodide (MAI) in the precursor solution, the Cs+ fraction x varies from 0 to 1. The hole-transporting-material (HTM)-free perovskite solar cells (PSCs) based on the CsxMA1−xPbI3 absorption layers were fabricated in ambient air, and their photovoltaic performance was studied. Results indicate that when the Cs+ fraction x is less than 0.3, Cs+ ions mainly replace a fraction of MA+ ions in the MAPbI3 lattice and do not lead to a change in the crystal structure of the MAPbI3. When the Cs+ fraction x is between 0.3 and 0.7, one part of Cs+ ions incorporated in the MAPbI3 lattice replaces MA+ ions (α-phase), while the other part forms a yellow photovoltaic-inactive δ-CsPbI3 phase. The CsxMA1−xPbI3 films with x ≥ 0.8 contain much of the photovoltaic-inactive δ-CsPbI3 phase. The band gap of the CsxMA1−xPbI3 films increases from 1.53 eV to 1.65 eV with the increase of the Cs+ fraction x. The PSCs based on the Cs0.1MA0.9PbI3 films exhibit remarkable improvement in device efficiency and stability.

Field of study: Materials science