bluuebunny/crossref_metadata_2025_split huggingface dataset:
The COVID-19 effect on training opportunities, mental health and wellbeing of postgraduate trainees in Wales
Authors: Mylonas Petros , Barratt Olivia , Siew Chin Jann 
Published: February 2022

INTRODUCTION During the first wave of the COVID-19 pandemic, routine dental care in Wales stopped with only urgent dental care being provided. Postgraduate trainees (dental core trainees [DCTs] and dental specialty registrars [StRs]) in Wales experienced disruption to their training as a result. The aim of this study was to explore the impact of the pandemic on DCTs and StRs in Wales in terms of trainee learning, development, mental health and wellbeing. METHODS Postgraduate trainees (66 DCTs, 26 StRs) across Wales were invited to complete a survey exploring their experiences during the pandemic. Results were analysed and compared quantitatively and qualitatively. RESULTS Of the 92 postgraduate trainees contacted, 44 responded, yielding a 48% total response rate. Nineteen DCTs (76%) and seventeen StRs (90%) stated that the pandemic had caused a negative impact on their mental health. Eleven DCTs (44% DCTs) and nine StRs (32%) were redeployed to different clinical roles. Twenty-one DCTs (84%) and fourteen StRs (74%) felt concerned about the effects on training/careers, with around three-quarters (76% DCTs, 74% StRs) believing the impact was negative. Twenty-two DCTs (88%) and fifteen StRs (79%) performed fewer clinical procedures while twenty DCTs (80%) and sixteen StRs (84%) had educational events cancelled. CONCLUSIONS The COVID-19 pandemic has had a negative impact on postgraduate trainees in Wales owing to reduced clinical training and redeployment. Despite this, different experiences/skills were gained such as improved leadership skills. DCTs and StRs feel that extending their training, increasing departmental teaching and carrying over the annual study budget to the next year would be beneficial.
Perceptions of cervical cancer and motivation for screening among women in Rural Lilongwe, Malawi: A qualitative study
Authors: Bula Agatha K. , Lee Fan , Chapola John , Mapanje Clement , Tsidya Mercy , Thom Annie , Tang Jennifer H. , Chinula Lameck 
Published: February 2022

IntroductionCervical cancer is the leading cause of cancer death among women in Malawi. Low awareness of cervical cancer and negative perceptions of screening can prevent women from participating in preventative strategies. We sought to explore perceptions and motivations for screening among women who participated in a cervical cancer screen-and-treat pilot study in rural Malawi.Materials and methodsWe conducted a qualitative sub-study of a community-based cervical cancer screen-and-treat pilot study in rural Lilongwe between July-August 2017. From October 2017-February 2018, 17 women who underwent screening using visual inspection with acetic acid (VIA) and same-day thermal ablation treatment were recruited at their 12-week follow-up visit post treatment to participate in this qualitative sub-study. Semi-structured interview guides that explored baseline knowledge of cervical cancer, perceptions, and motivation for screening were used for in-depth interviews (IDIs). IDIs were conducted in the local language, Chichewa, translated and transcribed to English. Data was analyzed using NVivo®V12.0.ResultsFindings included fatalistic views on cancer, but limited knowledge specific to cervical cancer. Misconceptions of cervical cancer screening were common; however, there was a unique understanding of screening as prevention (i.e., finding and treating early disease to prevent progression to worsening disease). This understanding appeared to stem from HIV prevention concepts known to the community. Motivations for screening included desire to know one’s health status, convenience of community-based screening, and peer encouragement.ConclusionDespite limited knowledge of cervical cancer and misconceptions of screening, the concept of screening for prevention, desire to know one’s health status, convenient access, and peers’ influence were motivators for participation in screening. Cervical cancer screen-and-treat programs in high HIV prevalence areas should consider utilizing language that parallels HIV prevention language to communicate the need for cervical cancer screening and treatment and utilize prevention concepts that may already be familiar to women living there.
Burden and risk factors for antenatal depression and its effect on preterm birth in South Asia: A population-based cohort study
Authors: Khanam Rasheda , Applegate Jennifer , Nisar Imran , Dutta Arup , Rahman Sayedur , Nizar Ambreen , Ali Said Mohammed , Chowdhury Nabidul Haque , Begum Farzana , Dhingra Usha , Tofail Fahmida , Mehmood Usma , Deb Saikat , Ahmed Salahuddin , Muhammad Sajid , Das Sayan , Ahmed Saifuddin , Mittal Harshita , Minckas Nicole , Yoshida Sachiyo , Bahl Rajiv , Jehan Fyezah , Sazawal Sunil , Baqui Abdullah H. 
Published: February 2022

Introduction
Women experience high rates of depression, particularly during pregnancy and the postpartum periods. Using population-based data from Bangladesh and Pakistan, we estimated the burden of antenatal depression, its risk factors, and its effect on preterm birth.

Methods
The study uses the following data: maternal depression measured between 24 and 28 weeks of gestation using the 9–question Patient Health Questionnaire (PHQ-9); data on pregnancy including an ultrasound before 19 weeks of gestation; data on pregnancy outcomes; and data on woman’s age, education, parity, weight, height, history of previous illness, prior miscarriage, stillbirth, husband’s education, and household socioeconomic data collected during early pregnancy. Using PHQ-9 cutoff score of ≥12, women were categorized into none to mild depression or moderate to moderately severe depression. Using ultrasound data, preterm birth was defined as babies born <37 weeks of gestation. To identify risk ratios (RR) for antenatal depression, unadjusted and adjusted RR and 95% confidence intervals (CI) were calculated using log- binomial model. Log-binomial models were also used for determining the effect of antenatal depression on preterm birth adjusting for potential confounders. Data were analyzed using Stata version 16 (StataCorp LP).

Results
About 6% of the women reported moderate to moderately severe depressive symptoms during the antenatal period. A parity of ≥2 and the highest household wealth status were associated with an increased risk of depression. The overall incidence of preterm birth was 13.4%. Maternal antenatal depression was significantly associated with the risk of preterm birth (ARR, 95% CI: 1.34, 1.02–1.74).

Conclusion
The increased risk of preterm birth in women with antenatal depression in conjunction with other significant risk factors suggests that depression likely occurs within a constellation of other risk factors. Thus, to effectively address the burden of preterm birth, programs require developing and providing integrated care addressing multiple risk factors.
A network pharmacology approach to explore active compounds and pharmacological mechanisms of a patented Chinese herbal medicine in the treatment of endometriosis
Authors: Wu Yan , Zhu Yuhang , Xie Ningning , Wang Hui , Wang Fangfang , Zhou Jue , Qu Fan 
Published: February 2022

Objective
Endometriosis is a common benign disease in women of reproductive age. Qu’s formula (QUF) is a patented Chinese herbal medicine for treating endometriosis that has been proven to be effective in treating and preventing the recurrence of endometriosis. This study is aimed to discover its molecular mechanism and to explore the potential drug targets.

Methods
A QUF target and endometriosis-related gene set was identified by the Traditional Chinese Medicine Systems Pharmacology (TCMSP) and Bioinformatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine (BATMAN-TCM) databases and five disease-gene databases. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed, and a protein–protein interaction (PPI) network was established to discover the potential mechanism. MalaCards was searched for targets and signaling pathways related to endometriosis, and the search results were also used to identify the key factors in QUF. Molecular docking was performed to visualize the interactions between the effective molecules and proteins encoded by critical genes. Cell experiments and molecular dynamics (MD) simulations were used to further validate the therapeutic effects of the active compounds in QUF on endometriosis.

Results
A compound-target network with 117 nodes (94 genes and 23 active compounds) and 224 edges was generated. The results of GO and KEGG analyses indicated that QUF could act by regulating the immune response, apoptosis and proliferation, oxidative stress, and angiogenesis. VEGFA, CXCL8, CCL2, IL1B and PTGS2 were selected for molecular docking analysis from two critical subnetworks with high correlation scores in MalaCards, and the active compounds of QUF had binding potential and high affinity for them. The mRNA expression levels of CCL2, IL1B and PTGS2 significantly decreased after treatment with quercetin. MD simulations showed that the combinations of quercetin and these proteins were relatively stable.

Conclusion
The network pharmacological strategy integrates molecular docking to unravel the molecular mechanism by which QUF protects against endometriosis. Our findings not only confirm the clinical effectiveness of QUF but also provide a foundation for further experimental study.
Representaciones sociales sobre el desarrollo del turismo en tierras indígenas Terena
Authors: Bonfim Izac De Oliveira Belino , Corbari Sandra Dalila , Mendes Julio Da Costa , Serqueira Bernadete Dias 
Published: February 2022

Las Tierras Indígenas (TI) son porciones territoriales que, luego de pasar por un proceso administrativo de demarcación, garantizan la posesión y usufructo de las tierras, por parte de una o más comunidades indígenas. En estos territorios se pueden realizar distintas actividades económicas, incluido el desarrollo del turismo. Este estudio tiene como objetivo, comprender las representaciones sociales (RS) de la sociedad de Aquidauana (Brasil), involucrada directa o indirectamente con la insipiente actividad turística existente en las TIs del pueblo Terena y su potencial desarrollo. Para la realización de la investigación se elegieron diferentes procedimientos metodológicos. En la investigación se utilizaron fuentes bibliográficas primarias y secundarias y se estableció contacto con la Terena a través de la observación directa no estructurada, em las TI Limão Verde y Taunay / Ipegue, incluyendo también áreas retomadas. Además, se realizaron entrevistas dialogadas com actores sociales no indígenas del área urbana y rural de Aquidauana. Para el tratamiento de la RS se utilizó la metodología de análisis del Discurso Colectivo del Sujeto (CSD). Se concluye, que los entrevistados han encubierto el racismo y otros prejuicios. Como consecuencia, existe incredulidad en la capacidad de las comunidades Terena para gestionar el turismo en sus tierras.
Application of Fourier Truncation Method to Numerical Differentiation for Bivariate Functions
Authors: Semenova Evgeniya V. , Solodky Sergiy G. , Stasyuk Serhii A. 
Published: February 2022

Abstract
The problem of numerical differentiation for periodic bivariate functions with finite smoothness is studied.
To achieve stable approximations, we investigate some variants of the Fourier truncation method.
Estimates of the accuracy and volume of the used Fourier coefficients are found for the constructed methods.
We perform numerical experiments that confirm correctness of our theoretical conclusions.
Development and validation of customized pedagogical kits for high-school chemistry teaching and learning: the redox reaction example
Authors: Easa Enas , Blonder Ron 
Published: February 2022

Abstract
In this paper, we describe the structure, development, and validation process of customized pedagogical kits (CPKs) for differentiated instruction (DI) in chemistry. The CPKs rely on the DI approach, comprising varied pedagogical activities (e.g., games, inquiry activities, puzzles, simulations, models) designed as treatments, to help chemistry teachers personalize their teaching according to students’ misconceptions. The kits are based on the response to intervention (RTI) model, where the teacher applies an ongoing evaluation to meet the individual student’s needs within an evolutionary flexible process of learning. Each kit includes a diagnostic task, its characterization, pedagogical treatments for diagnosed misconceptions, and an assessment task, to evaluate the effectiveness of the treatments implemented in the classroom. The kits are developed along relevant literature criteria for using DI strategies and are based on constant validation and ongoing assessment, as demonstrated in the Redox-reaction CPK development. The validation and impact of the CPK on students’ achievements are supported by 25 chemistry teachers that implemented the full kit in their classrooms. Furthermore, the CPKs developed in the present research have succeeded in resolving many of the difficulties and challenges mentioned in the literature as obstructing the implementation of DI.
Analysis of mismatched heterointerfaces by combined HREM image processing and modelling
Authors: Möbus G. , Levay A. , Inkson B.J. , Hÿtch M.J. , Trampert A. , Wagner T. 
Published: February 2022

Abstract
Lattice mismatched heterointerfaces are classified by a simple five parameter configuration space which allows to quantify the following properties: gradual partial coherence, distribution and localisation of misfit dislocations, anisotropy of strain fields, elastic dissimilarity of the lattices. HREM images are digitally processed into one-dimensional strain and Fourier spectrum profiles along the interface at selected distance from the interface. The interpretation of these profiles as a Fourier expansion of displacement waves is justified through a link to continuum modelling approaches presented earlier. Limitations and microscope conditions for this simple direct image interpretation approach are listed and discussed.
A thermodynamic assessment of the In–Se system
Authors: Li J.-B. , Record M.-C. , Tedenac J.-C. 
Published: February 2022

AbstractAvailable experimental thermodynamic and phase diagram data were critically reviewed. A thermodynamic assessment of the binary In-Se system was performed based on the evaluation of literature. The intermediate compounds taken into account are In4Se3, InSe, In6Se7, In9Se11, In5Se7, and polymorphic In2Se3(α, β, γ and δ). All these compounds were treated as stoichiometric phases. The liquid phase was described using the association model with the associate species of ‘In2Se3’. A set of thermodynamic parameters was obtained, and the calculated phase diagram is presented.
On the dislocation mechanisms of dynamic strain ageing in fatigued plain carbon steels
Authors: Mughrabi Haël 
Published: February 2022

AbstractThe fatigue life of plain ferritic carbon steels fatigued in stress-controlled (plastic-strain-controlled) tests exhibits a maximum (minimum) at a temperature of approx. 300 °C as a result of dynamic strain ageing (DSA). In the regime of DSA, an enhanced cyclic hardening related to an increased dislocation density is observed, and the dislocation arrangement changes from a dislocation cell structure (at intermediate stress amplitudes) at room temperature to a dense edge di-/multipolar bundle/wall/vein structure in the temperature range of DSA and back to a dislocation cell/ subgrain structure at higher temperatures. Related effects occur also in α-iron containing some carbon when fatigued at room temperature at a very low strain rate. This behaviour is considered to be typical of body-centred cubic materials.In the present study, the dislocation mechanisms responsible for this behaviour are discussed in detail, and a dislocation glide model is developed which can explain both the enhanced dislocation density and the change of the dislocation arrangement in the regime of DSA. The model is based on the different mobilities of mobile edge and less mobile screw dislocations in body-centred cubic metals and on the strong tendency towards multiple slip leading to a dislocation cell structure at lower temperatures. In the regime of DSA, it is proposed that the edge dislocations are hindered more strongly in their glide motion by the solute carbon atoms than the screw dislocations so that screws and edges are then more or less equally mobile. Taking into account that screw dislocations of opposite sign annihilate mutually by cross slip, this explains the observed dislocation arrangement of dense edge di-/multipolar bundles/ walls/veins of high dislocation density which, in turn, leads to an enhanced cyclic hardening rate. The dislocation sub-grain structure observed at higher temperatures reflects the increasing tendency for the transformation from dislocation cell to subgrain structures, as the temperature is increased.
Effect of the γ’volume fraction on the creep strength of Ni-base superalloys
Authors: Mukherji Debashis , Rösler Joachim 
Published: February 2022

AbstractThree single-crystalline Ni-base superalloys with varying content of the γ′ phase are investigated with respect to their microstructure and creep behaviour at 1000 °C. It is shown by convergent beam electron diffraction, X-ray diffraction and energy-dispersive X-ray spectroscopy that the composition of the matrix and precipitates as well as the lattice misfit between both phases are similar for all three model alloys despite a variation of the γ′ content from about 50 to about 65 %. This allows to study the influence of the precipitate volume fraction on high-temperature behaviour in separation from other microstructural parameters. Highest creep strength is found for the alloy with intermediate particle content (about 58 %), which is significantly below the particle volume fraction of contemporary single-crystal superalloys such as CMSX-4.
On the nature of internal interfaces in tempered martensite ferritic steels
Authors: Dronhofer A. , Pešicka J. , Dlouhý A. , Eggeler G. 
Published: February 2022

Abstract
This paper presents results on the evolution of microstructure in 12% Cr tempered martensite ferritic steels during heat treatment and creep. Prior austenite grain size and micro grain size measurements were performed using optical microscopy, and scanning and transmission electron microscopy. Moreover, orientations of micro grains are determined using TEM and SEM. Prior austenite grain sizes, micro grain dimensions and orientation relationships between micro grains are interpreted in terms of processes associated with the formation of martensite and ferrite during heat treatment and creep. The elongated micro grains (in the interior of prior austenite grains) can have high- or low-angle boundaries. The hierarchical evolution of internal interfaces is described. Micro grain boundaries most often represent (i) variant boundaries separating individual former martensite variants and (ii) subgrain boundaries (associated with recovery processes during tempering and creep). The present results also show that there is a need to study (i) the evolution of dislocation density during heat treatment and creep and (ii) the precipitation of carbides during tempering and creep in relation to the different types of internal interfaces.
Point defects, precipitates and the strength anomaly in ordered Fe–Al alloys
Authors: Laakmann Jochen , Hartig Christian , Mecking Heinrich 
Published: February 2022

AbstractThe strength of B2-ordered Fe60Al40has been investigated with respect to the influence of vacancies and interstitial impurities. Preconditioned states with different ratios of the concentration of vacancies and interstitial impurities have been established, which then were recovered by subsequent annealing treatments. The evolution of the recovered states with temperature has been monitored by measuring the strength (ultra-microhardness) at room temperature as a function of the annealing temperature. The observed dependencies are discussed on the basis of the resistance of vacancies and impurities to dislocation motion, of vacancy – interstitial interactions and also of the possible formation and dissolution of precipitates (primarily perovskites). The yield stress maximum which, independent of the stoichiometry, appears near 800 K is found to be controlled by vacancy migration in combination with strain ageing by interstitial agglomerates and by the formation of precipitates.
High-strength Cu–Ti-rich bulk metallic glasses and nano-composites
Authors: Calin Mariana , Eckert Jürgen , Schultz Ludwig 
Published: February 2022

Abstract
Cu47Ti34Zr11Ni8, Cu47Ti33Zr11Ni8Fe1 and Cu47Ti33Zr11Ni8Si1 bulk glassy alloys were prepared by injection copper mold casting. Mechanical properties, glass-forming ability, thermal stability and microstructural characteristics of as-cast rods were investigated. Calorimetric studies indicate a beneficial role of small Si or Fe addition on the thermal stability of Cu–Ti – Zr –Ni bulk glassy alloys. Compression tests reveal fracture strengths of 2040 to 2190 MPa, Young’s moduli of 100 to 109 GPa and elastic strains up to 2.4 %. The Si-containing glassy alloy exhibits a plastic elongation of 2.2%. The significant increase in plasticity observed for the Si-containing alloy is due to a special bimodal composite structure consisting of nano-scaled Cu crystals homogeneously dispersed in the bulk metallic glass matrix. The increase of the global plasticity can be explained by the formation of multiple shear bands that make the glassy alloy resistant to crack propagation.
Deformation mechanism and inverse Hall – Petch behavior in nanocrystalline materials
Authors: Wolf D. , Yamakov V. , Phillpot S. R. , Mukherjee A. K. 
Published: February 2022

Abstract
It is widely accepted that for the very smallest grain sizes (typically below 20 – 30 nm), dislocations play no significant role in the deformation of nanocrystalline materials. However, the grain-boundary mechanisms responsible for the reported decrease in strength with decreasing grain size in this regime (the ‘inverse Hall–Petch effect’) remain unclear. Here, we demonstrate by molecular-dynamics simulation that, in the absence of both grain growth and any dislocations, nanocrystalline fcc metals deform via a mechanism involving an intricate interplay between grain-boundary sliding and grain-boundary diffusion. By quantitatively reproducing the well-known Coble-creep formula for coarse-grained materials, we show that the ‘inverse Hall–Petch effect’ arises from sliding-accommodated grain-boundary diffusion creep. Previous, apparently contradictory, suggestions that GB sliding, on the one hand, or GB-diffusion creep, on the other, are responsible for this behavior can thus be reconciled as originating from one and the same deformation mechanism. We discuss the reasons why we believe that these simulations also capture the room-temperature deformation behavior of nanocrystalline fcc metals in the absence of dislocation nucleation and microcracking.
Unconventional deformation mechanism in nanocrystalline metals?
Authors: Swygenhoven H. van , Derlet P. M. , Budrovic Z. , Hasnaoui A. 
Published: February 2022

Abstract
In this paper, suggestions from molecular dynamics on the plastic deformation mechanism of nanocrystalline (nc) fcc metals are discussed. Investigation of the local average stress in the grain boundaries during deformation highlights the role of the non-equilibrium grain boundary structure in both inter- and intra-deformation processes. The relevance of the mechanism suggested by computer simulations is discussed in terms of the inherent restrictions of the technique and experimental observations.