bluuebunny/crossref_metadata_2025_split huggingface dataset:
Expert-assisted and sub-unit-based molecular description enables ultra-fast and highly accurate prediction of the energy levels of non-fullerene acceptors in organic solar cells
Authors: Zhang Ting , Lai Joshua Yuk Lin , Shi Mingzhe , Li Qing , Yan He , Zhang Chen 
Published: June 2023

Abstract
Non-fullerene acceptors (NFAs) have recently emerged as an important class of materials enabling high-efficiency organic solar cells. However, most research activities on NFAs are carried out through a time-consuming trial-and-error experimental process with limited predictability. Therefore, there is a pressing need to develop a fast and efficient computational method to predict their properties, particularly their energy levels. Unfortunately, conventional computational or machine learning methods tend to produce large errors (0.2 - 0.5 eV) in energy level prediction. Moreover, the commonly used experimental method is also prone to large errors in determining the energy levels of NFAs. This paper introduces a novel ultra-fast machine learning method that accurately predicts NFA energy levels within only one second of computation on a common laptop computer. The method consists of two components: data cleansing and an expert-assisted sub-unit-based molecular description, which simplifies the complexity of molecular computation. Despite the limited data available for NFAs (less than a thousand), the method achieves a small average prediction error of 0.06 eV for energy levels, significantly outperforming known computational methods and even surpassing the classic experimental method, cyclic voltammetry (CV). This method is expected to accelerate NFA research and inspire the development of similar computation approaches to solve other material or molecular science problems.
Evaluation of Using Small Volume of Interest Regions for Clinical Kidney Dosimetry in 177Lu-DOTATATE Treatments
Authors: Khan Jehangir , Rydèn Tobias , Essen Martijn Van , Svensson Johanna , Bernhardt Peter 
Published: June 2023

Abstract

Introduction: A small volume of interest (SV) method has been proposed and used to obtain time-effective kidney dosimetry protocols for 177Lu-DOTATATE treatments. However, SV methods show only modest precision and accuracy compared to the whole-kidney parenchyma (WKP) segmentation approach. Here we aim to evaluate the influence of patient-specific partial volume effect corrections on kidney dosimetry calculations based on the WKP method, to perform a comparative analysis between the WKP and SV methods, and to determine how the use of multiple SVs affected the accuracy of clinical kidney dosimetry.
Methods: We obtained SPECT/CT of 18 patients at 24, 48, and 168 hours after injection of 177Lu-DOTATATE (7.3–7.8 GBq). The SPECTs were corrected for attenuation, scatter, and collimator detector response with Monte Carlo-based OSEM reconstruction (ASCC-SPECT) and post-filtered with a 0- to 12-mm Gaussian filter, or were only attenuation corrected with a Hann post-filter (AC-SPECT) as described in the first application of the SV method. Kidney dosimetry based on the manually segmented WKP was used as the golden standard. Recovery coefficients (RCs) for each WKP were determined by Monte Carlo simulations, and RCs for SVs were determined relative to the WKP method. Kidney absorbed doses were estimated based on measured activity concentrations fitted using the mono-exponential function. Uncertainties were measured for kidney dosimetry calculated based on the SV method with 1–5 VOIs with sizes of 4 mL (SV4), 2 mL (SV2), and 0.6 mL (SV0.6).
Results: The mean RCs of the WKP volumes (31–243 mL) in non-filtered ASCC-SPECT and AC-SPECT were 0.85 (0.73–0.90) and 0.62 (0.46–0.51), respectively. The uncertainty in the kidney dosimetry calculation based on one SV4 on each SPECT data-point was 10.4%, and decreased as the number of VOIs was increased from 1 to 5. With the SV2 method, using a mean of 5 VOIs per kidney parenchyma, the uncertainty decreased to 6.3%. The uncertainty of the WKP method was 5.5%.
Conclusion: Kidney dosimetry based on RC-corrected multiple SVs located on representative uptake regions in the kidney parenchyma is a fast approach that can provide satisfactory accuracy as compared to a single SV method.
Associations of Diverse Internet Device Use and Activities with Depression in Chinese Adolescents: Gender and Geographical Differences
Authors: Wang Sasa , Gao Chenzhuo , Yang Xueyan 
Published: June 2023

Abstract
Background After the COVID-19 outbreak, Chinese adolescents are increasingly dependent on the Internet. They use multiple devices and engage in various Internet activities. This study explored the associations of mobile/desktop device use and five popular activities with depression in different subgroups of Chinese adolescents. The classification of subgroups was based on gender and geographic disparities in digital technology use.
Methods Data were from China Family Panel Studies (CFPS) in 2020 and included 2,877 primary and secondary school students aged 10-19 years. We employed the ordinary least squares regression models with interaction terms to observe the gender and geographical differences in the relationship between diverse Internet device use and activities and depression.
Results Only prolonged Internet use, whether on all devices or either one, was found to be positively associated with their risk of depression; using the desktop device for less than 1 hour was found to have the opposite effect. Online learning and gaming occasionally, shopping, and posting WeChat Moments frequently were positively linked with depression. Subsequently, mobile device usage time and the frequency of viewing short videos were positively associated with girls’ risk of depression, while in boys, opposite associations were observed. Furthermore, for rural adolescents, despite the adverse effects of prolonged desktop device use, using mobile devices for 1 to 3 hours or desktop devices for less than 1 hour was associated with their reduced risk of depression. Less frequency of online learning, games, and posting WeChat Moments, or increased frequency of watching short videos, could mitigate their risk of depression. These Internet use variables exhibited different associations with depression risk among adolescents in provincial capitals, prefecture-level cities, and counties.
Conclusion Our study demonstrates that using mobile/desktop devices and engaging in various online activities can lead to disparate benefits and risks for Chinese adolescents, depending on their gender and geographic location. Findings guide parents and caregivers in helping children develop healthy and balanced Internet usage habits, considering children’s gender and residential area.
Design and Validation of a Medication Assessment Tool to Assess Prescribing Practice in The Management of Type 2 Diabetes: A Quality Improvement Study
Authors: Al-Sejari Fajer , Al-Taweel Dalal 
Published: June 2023

Abstract
Background: Prescribing is the number one therapeutic intervention made by physicians. There is an increase in both the number of medicines and the complexity of dosage regimens that patients are taking. This is in addition to the introduction of novel medications with new adverse effects’ profiles complicated by drug-drug or drug-disease interactions. Developing tools, based on evidence-based guidelines, will assist practitioners in identifying the best therapeutic management options, particularly for chronic diseases, and ensures quality care is provided to patients. This study aimed to develop and validate a medication assessment tool (MAT) to evaluate the quality of medication prescribing for patients with type 2 diabetes mellitus.
Methods: The development process of the MAT was based on three stages: i) development stage – which led to instrument construction; ii) judgment-quantifying stage (with the participation of 12 experts) - which involved two different approaches to quantify content validity of the instrument, where any criteria with a CVR < 0.566 and/or a I-CVI <78% were considered for removal; and iii) a feasibility stage - to ensure the tool’s fitness for purpose.
Results: The development stage resulted in the construction of the initial MAT, with 42 criteria. This draft went through a judgment-quantifying stage which resulted in 8 criteria having a CVR ≤0.566 and I-CVI<78%. Three criteria were removed, and five were retained. As a result, the final draft - MATDM2 - was developed with 39 criteria. A feasibility study on 30 electronic patient medication records revealed a total prescribing adherence score of 50.5% and a 61.6% documentation gap.
Conclusions: MATDM2 frames clinical guideline recommendations into a holistic set of criteria that are patient-centered and quantifiable. It serves as a quality assurance tool for prescribers in managing type 2 diabetes and offers a systematic approach to detect opportunities in improving prescribing in this complex disease.
Municipal-Level Variations in Violence Perpetration among Norwegian Adolescents and its Association with Health-Risk Behaviours, Family Predictors, and Municipal Characteristics: A Cross-Sectional Multilevel Study
Authors: Wondemu Michael Yisfashewa , Frøyland Lars Roar 
Published: June 2023

Abstract
Background
While studies have documented the prevalence and risk factors for adolescent violence, little is known about local differences and the combined impact of socioecological correlates on the perpetration of violence. This study examined municipal-level variation in violence perpetration among Norwegian adolescents. Drawn from the socio-ecological model, it investigated the variation in individual health-risk behaviours, family predictors and municipal characteristics associated with violence perpetration.
Methods
The study was based on data from Norway’s nationwide Ungdata surveys. It included data from students in lower secondary schools from surveys conducted in the years 2014 to 2016, in total containing responses from 119,346 students nested within 309 municipalities. A multilevel (two-level) logistic regression was used to estimate between-municipal differences in the perpetration of violence and its associated socio-ecological correlates.
Results
The results showed a small variation (1.58%) in violence perpetration between municipalities. Individual- and family-level predictors did not explain this difference. The addition of municipal-level factors marginally reduced the municipal-level variance, indicating that the factors, to a slight extent, explained the small variation in violence perpetration among Norwegian municipalities. All individual and family factors were associated with violence perpetration. A high proportion of higher education accomplishment was the only municipal factor for violence perpetration.
Conclusion
The findings may be important for policymakers seeking to reduce acts of violence, as they call for a greater focus on individual- and family-level factors than municipal characteristics.
The Effect of Newly Developed Home Bleaching Gels on Tooth Colour and Mineral Alteration
Authors: Kervancıoğlu Görkem , Sürmelioğlu Derya Gürsel 
Published: June 2023

Abstract
Objectives This study aimed to compare tooth mineralization and colour changes achieved with two newly developed experimental bleaching gels containing 16% CP or 6% HP with the FGM Whiteness Perfect (16% CP) and BioWhiten ProHome (6% HP) at-home bleaching systems.
Material and methods:Ninety-six maxillary central teeth extracted for periodontal reasons without defects, cracks, or caries were included. All samples were standardized for enamel-dentin thickness by cone-beam computed tomography (CBCT). The samples were divided into 2 groups for colour (n=48) and mineral (n=48) change evaluations. These groups were then further divided into 4 subgroups according to the bleaching agent to be applied (n=12). Mineral analysis was performed with the SEM-EDX (SEM, Zeiss Gemini) device before the bleaching treatment, at the end of the treatment, and 2 weeks after the treatment ended to assess changes. Colour measurement was performed with a spectrophotometer device (VITA EasyShade, Zahnfabrik) before the bleaching treatment, on the 7th day of treatment, 24 hours after the final treatment, and 2 weeks after the treatment ended. Colour change values were calculated with the CIEDE2000 formula. Paired t tests/Wilcoxon signed-rank tests and ANOVA/Kruskal–Wallis tests were used for the statistical analysis. p < 0.05 was considered to indicate significance.
Results: Effective bleaching was achieved in all groups in the study. No significant difference among the groups was found in the colour change (p>0.05), while mineralization differed significantly (p<0.05).
Conclusions: The colour and mineral change assessment revealed that the ideal bleaching agent was ECP (Group 1).
Clinical Relevance: With the increased demand for conservative aesthetic treatments, dental bleaching technologies have become increasingly popular. However, bleaching agents lead to the formation of reactive oxygen species, which have genotoxic effects. The use of theobromineand chitosan can provide clinicians with positive results for bleaching treatments, such as the ability to use lower HP concentrations and avoid side effects.
Application nano fruit tree hole storage brick fertilizer is beneficial to increase the nitrogen utilization of grape plants under subsurface drip irrigation
Authors: Dongdong Yao , Jianli Yang , Haifeng Jia , Yufan Zhou , Qi Lv , Xujiao Li , Riye Sha , Huanhuan Zhang , Fangxia Wang , Fesobi Phillip , Huaifeng Liu , Fengyun Zhao , Yu Kun 
Published: June 2023

Abstract
Purpose
Nitrogen (N) is a key factor that limits plant growth in most terrestrial ecosystems. However, N leaching is still serious. Our study sought to provide theoretical basis for improving N fertilizer efficiency by using nano materials in the cultivation of fruit trees.
Methods
We invented a new type of nano fruit tree hole storage brick (NFTHSB) by using natural nano-materials, biochar and organic fertilizers, designed a new fertilization strategy-application NFTHSB under subsurface drip irrigation to characterise the effects of NFTHSB addition on grape N absorption at three different treatments [ “CK”, “NFTHSB A (T1)” and “NFTHSB B (T2)” ].
Results
Results showed that the pore number and pore size of NFTHSB A (T1) were significantly higher than NFTHSB B (T2). Compared with CK, T1 and T2 significantly increased the accumulation of biomass in different organs of plants, N absorption and 15N content in the roots, stems and leaves. When the soil depth was 15–30 cm, the NFTHSB increased the soil 15N content substantially. When the soil depth was 30–45 cm, it reduced the soil 15N content greatly. It obviously increased the activities of nitrite reductase (NR) and glutamine synthetase (GS) in grape leaves, also the activity of the urease (UR) in soil 30 cm.
Conclusion
NFTHSBs have special pore structure and adsorption, application NFTHSB could effectively absorb N in soil, reduce N loss, significantly improve plant N utilization rate and soil N residual rate, significantly promote the growth of grape. In this experiment, T1 treatment has the best effect.
Sociocultural factors affecting first-year medical students' adjustment to a PBL program at an African medical school
Authors: Kebaetse Masego B. , Griffiths Dominic , Mokone Gaonyadiwe G. , Mogodi Mpho S. , Conteh Brigid G. , Nkomazana Oathokwa , Wright John , Falama Rosemary , Kebaetse Maikutlo 
Published: June 2023

Abstract
Background
Besides regulatory learning skills, learning also requires students to relate to their social context and negotiate it as they transition and adjust to medical training. As such, there is a need to consider and explore the role of social and cultural aspects in student learning, particularly in problem-based learning, where the learning paradigm is different from what most students have previously experienced. This article explores two significant sociocultural factors contextualized in an African setting that may conflict with effective problem-based learning implementation: the socialization of schooling before medical training and the cultural socialization relating to speaking and silence.
Method
We employed a qualitative case study approach using in-depth interviews with 23 first-year students. Participants ranged in age from 18 to 25 years. All students were bi/multilingual (some spoke three to five languages), with English as the learning language. We conducted an inductive thematic analysis to systematically identify and analyze patterns in the data using the Braun and Clarke framework.
Results
Before medical school, students worked hard to compete for admission to medical school, were primarily taught using a teacher-centered approach, and preferred working independently. At the beginning of medical school, students found it difficult to understand the problem-based learning process, the role of the case, speaking and working effectively in a group, managing a heavy workload, and taking increased responsibility for their learning. By the end of the first semester, most students were managing the workload better, were more comfortable with their peers and facilitators, and appreciated the value of the problem-based learning approach.
Conclusions
In the sub-Saharan African context, sociocultural factors provide another lens for understanding students' learning experiences in a problem-based learning program. Adjustment to problem-based learning requires a conceptual and pedagogic shift towards learner-centered practice, particularly concerning self-direction, the role of the case, and collaborative learning.
Embracing the Promise of Open Educational Resources: Faculty Insights and Implications in Higher Education
Authors: Al-Zahrani Abdulrahman 
Published: June 2023

Abstract
This study examines faculty perceptions, awareness, and utilization of Open Educational Resources (OER) in higher education and identifies barriers hindering their adoption. The research encompasses multiple perspectives, including demographic information, teaching practices involving technology, familiarity and opinions regarding OER, types of OER utilized by faculty, ease of searching for OER, a comparison between open and traditional resources, intentions to use OER in the future, and factors deterring the adoption of OER. The study employed a quantitative approach using an online survey questionnaire to gather data. Using descriptive and MANOVA tests, the findings highlight a diverse gender distribution among respondents, a combination of teaching roles and administrative responsibilities, varying levels of teaching experience, a preference for blended teaching styles, significant awareness of OER, ease in searching for OER, and a strong intention to use OER in the future. The results emphasize the importance of addressing concerns related to institutional support, intellectual property policies, recognition of contributions, and creating a supportive environment to enhance faculty engagement with OER. The study implications suggest comprehensive and targeted approaches to support faculty members in adopting and utilizing OER effectively, including promoting gender equity, enhancing ease of adoption, considering workload impact, recognizing differences based on teaching experience, tailoring support based on teaching style, and actively promoting the benefits and opportunities of OER. The study acknowledges limitations regarding sample size and demographics and suggests future research directions to enhance generalizability, incorporate qualitative approaches, and investigate the pedagogical impact of OER adoption on student outcomes.
An Intelligent Long-Term Care Information Platform using Machine Learning and Semantic Web
Authors: Hsu I-Ching , Chen Shih-Hsuan 
Published: June 2023

Abstract

The low use of Long-Term Care (LTC) services in Taiwan is mainly caused by the lack of convenient promotion tools. This study developed a general architecture integrating Clustering Algorithm into Domain Ontology based on Cloud Computing (CADOCC) to provide a cloud computing environment and support the big data required for machine learning. The proposed CADOCC comprised four integrated components: cloud computing, machine learning, data preparation, and semantic web modules. The proposed CADOCC was used to develop an LTC Application Platform (LTCAP) to assist users in automatically classifying and filtering articles related to LTC. Additionally, the LTCAP was used to produce an intelligent mobile app that continually learns from user question–answer interactions through machine learning to facilitate the use of LTC services for personal requirements. The performance and satisfaction scores of classification algorithms running in different spark cloud computing environments were tested and compared. The results revealed that LSI and K-means met requirements in a test scenario, and the total satisfaction score was 4.15, which confirmed the feasibility of CADOCC.
A Nomogram for Predicting Occult Axillary Lymph Node Metastasis: Performance in US-diagnosed N0 Breast Cancer Patients
Authors: Zhang Wuyue , Wang Siying , Wang Yichun , Sun Jiawei , Wei Hong , Xue Weili , Dong Xueying , Wang Xiaolei 
Published: June 2023

Abstract
Background To develop a nomogram model combining gray-scale ultrasound and virtual touch tissue imaging quantification (VTIQ) characteristics to predict axillary lymph node metastasis (ALNM) in ultrasound (US)-diagnosed N0 breast cancer patients.
Methods A total of 567 patients enrolled in this study from April 2017 to May 2022, including 395 patients in the primary cohort and 172 patients in the external validation cohort. These are patients who are undergoing upfront surgery (no neoadjuvant treatment). Their preoperative gray-scale ultrasound images and VTIQ parameters were collected and used to develop a nomogram with internal and external validation for the prediction of occult ALNM.
Results Three gray-scale ultrasound characteristics (age, margin, and distance from the nipple) and one VTIQ parameter (Emax) were identified as independent risk factors in univariate and multivariate analyses. The nomogram showed an area under the curves of 0.843 and 0.869 in the training and external validation cohorts, respectively, indicating good calibration.
Conclusions The nomogram model can predict occult ALNM with relatively high accuracy. It is expected to be a non-invasive, easy, quick, and affordable supplement to traditional axillary ultrasound (AUS), which can help to determine appropriate axillary treatment for US-diagnosed N0 breast cancer patients.