bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational Studies of Diindole-Based Molecules for Organic Bulk Heterojunction Solar Devices Using DFT and TD-DFT Calculations
Authors: Fei Elly Tan Li , Biswas Joydeep , Datta Bandita , Kumar Dhruva 
Published: March 2021

Abstract
Theoretical analysis on geometries, optoelectronic properties, photovoltaic properties and absorption spectra on six π-conjugated molecules used in organic bulk heterojunction solar cell (BHJ), completed using density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations with Becke’s three-parameter functional and Lee-Yang-Parr functional (B3LYP), hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP) and WB97XD level with 6-311G basis set supported by Gauss View and Gaussian 09 program. LUMO (lowest unoccupied molecular orbital), HOMO (highest occupied molecular orbital), energy gap (Egap) and Voc (open-circuit voltage) and other essential parameters have been investigated to study the effects on substitution of electron-donating and electron-accepting groups to the proposed molecule. These properties determine if the studied compounds can act as good electron donors along with phenyl-C61-butyric acid methyl ester (PCBM) as a suitable electron acceptor.
Evaluation and GWAS of radicle gravitropic response in a core rice germplasms population
Authors: lou qiaojun , Li Qingsong , Feng Fangjun , Joynson Ryan , Yang Yunan , Luo Lijun , Chen Liang 
Published: March 2021

Abstract
Aims: Gravitropism is one of the primary determinants of root development, facilitating root penetration into soil and subsequent absorption of water and nutrients. To study the gravitropism of the radicle roots, we conducted this research.Methods: The gravitropism of 226 Chinese rice micro-core accessions and drought-resistant core accessions were assessed through the modified gravity-bending experiment and genome-wide association analysis (GWAS) was used to map the associated QTLs.Results: The average value of gravitropic response speed of radicle roots was 41.05°/h from 16.77°/h to 62.83°/h. Significant difference (p < 0.002) in gravity response speed between Indica (42.49°/h) and Japonica (39.71°/h) subspecies was found. The gravitational response speed of radicle roots was significantly positively correlated with the number of deep roots (r =0.16), the growth speed of radicle roots (r =0.21) and the drought resistance coefficient (r=0.14).Conclusions: In total, 3 QTLs (quantitative traits) associated with gravitropic response speed were identified on chromosome 4,11 and 12. There are some known QTLs relating to roots traits and drought resistance located nearby the QTLs identified here, which confirms the close relationship between radicle gravitropism and the drought resistance. From within these intervals, 5 candidate genes were screened for qPCR in 6 extreme rice varieties, demonstrating that gene LOC_Os12g29350 may regulate gravitropism negatively and confirming its candidacy for further study.
Artificial Intelligence Framework for Efficient Detection and Classification of Pneumonia Using Chest Radiography Images
Authors: Alqudah Ali Mohammad , Qazan Shoroq , Masad Ihssan S. 
Published: March 2021

Abstract
BackgroundChest diseases are serious health problems that threaten the lives of people. The early and accurate diagnosis of such diseases is very crucial in the success of their treatment and cure. Pneumonia is one of the most widely occurred chest diseases responsible for a high percentage of deaths especially among children. So, detection and classification of pneumonia using the non-invasive chest x-ray imaging would have a great advantage of reducing the mortality rates.ResultsThe results showed that the best input image size in this framework was 64 64 based on comparison between different sizes. Using CNN as a deep features extractor and utilizing the 10-fold methodology the propose artificial intelligence framework achieved an accuracy of 94% for SVM and 93.9% for KNN, a sensitivity of 93.33% for SVM and 93.19% for KNN and a specificity of 96.68% for SVM and 96.60% for KNN.ConclusionsIn this study, an artificial intelligence framework has been proposed for the detection and classification of pneumonia based on chest x-ray imaging with different sizes of input images. The proposed methodology used CNN for features extraction that were fed to two different types of classifiers, namely, SVM and KNN; in addition to the SoftMax classifier which is the default CNN classifier. The proposed CNN has been trained, validated, and tested using a large dataset of chest x-ray images contains in total 5852 images.
Immune Effective Score As A Predictor Of Response To Neoadjuvant Trastuzumab Therapy And A Prognostic Indicator For HER2-positive Breast Cancer
Authors: Wu Xueying , Zhang Chenyang , Xiong Jing-wei , Zhang Henghui 
Published: March 2021

Abstract
Background: HER2-positive breast cancer (BC) is a highly aggressive phenotype and accounts for 15–20% of all BC cases. The role of the host immune features in predictive response to anti-HER2 therapies and prognosis in BC is already suggested. We aimed to develop a predictive and prognostic model and examine its relevance to the clinical outcomes of patients with HER2-positive BC.Methods: Based on the single-sample gene set enrichment analysis (ssGSEA) scores of the signatures related to neoadjuvant trastuzumab therapy response, an immune effective score (IES) was constructed using principal component analysis algorithms. A bioinformatic analysis using 4 independent cohorts (GSE66305, n=88; GSE130786, n=110; TCGA, n=123; METABRIC, n=236) established associations between IES and clinical outcomes.Results: Genes associated with neoadjuvant trastuzumab therapy response enriched in pathways related to antitumor immune activities, including T cell receptor signaling pathway, Natural killer cell-mediated cytotoxicity and NF−kappa B signaling pathway. IES was demonstrated to be a predictive biomarker to neoadjuvant trastuzumab therapy benefits (GSE66305: area under the curve (AUC) = 0.804; GSE130786: AUC = 0.704). In addition, IES was identified as an independent prognostic factor for overall survival (OS) in the TCGA cohort (P = 0.036, hazard ratio (HR): 0.66, 95% confidence interval (CI): 0.449–0.97) and METABRIC cohort (P = 0.037, HR: 0.9, 95% CI: 0.81–0.99).Conclusions: The IES has a predictive value for response to neoadjuvant trastuzumab therapy and independent prognostic value for HER2-positive breast cancer.
Microbially guided discovery and biosynthesis of biologically active natural products
Authors: Sarkar Ankur , Kim Edward , Jang Taehwan , Hongdusit Akarawin , Kim Hyungjun , Choi Jeong-Mo , Fox Jerome 
Published: March 2021

Abstract
The design of small molecules that inhibit disease-relevant proteins represents a longstanding challenge of medicinal chemistry. Here, we describe an approach for encoding this challenge—the inhibition of a human drug target—into a microbial host and using it to guide the discovery and biosynthesis of targeted, biologically active natural products. This approach identified two previously unknown terpenoid inhibitors of protein tyrosine phosphatase 1B (PTP1B), an elusive therapeutic target for the treatment of diabetes and cancer. Both inhibitors appear to target an allosteric site, which confers selectivity, and can inhibit PTP1B in living cells. A screen of 24 uncharacterized terpene synthases from a pool of 4,464 genes uncovered additional hits, demonstrating a scalable discovery approach, and the incorporation of different PTPs into the microbial host yielded alternative PTP-specific detection systems. Findings illustrate the potential for using microbes to discover and build natural products that exhibit precisely defined biochemical activities yet possess unanticipated structures and/or binding sites.
Social outcomes of a community-based water, sanitation and hygiene intervention
Authors: Malolo Rossanie , Kumwenda Save , Chidziwisano Kondwani , Kambala Christabel , Morse Tracy 
Published: March 2021

Abstract
Social benefits of water, sanitation and hygiene (WASH) interventions are less documented compared to health benefits such as the reduction of diarrheal diseases. Although most decisions in WASH investments are based on potential health outcomes, interventions may also lead to social benefits, such as income generation, increased school enrollment, improved levels of dignity, self-esteem and civic pride, which can have a significant value both personally and to the wider community. This qualitative case study was used to assess the perceived social outcomes of purposively selected stakeholders from a WASH intervention study in Malawi. In-depth Interviews (n = 10), focus group discussions (n = 4) and key informants interviews (n = 10) were conducted with caregivers (male and female), community leaders, traditional leaders and community coordinators. Thematic analysis identified eight social outcomes: formation and strengthening of relationships (n = 32), becoming role models to community members (n = 23), women empowerment (n = 20), time-saving (n = 17), change of status (n = 12), receiving awards (n = 12), reduced medical costs (n = 11) and obtaining new skills (n = 7). Social capital among caregivers was also found to be high. No negative outcomes from the intervention were reported. WASH interventions have multiple, important, but difficult to quantify social benefits which should be measured, reported and considered in WASH investment decision-making.
Using a Web-Based App to Deliver Rehabilitation Strategies to Persons With Chronic Conditions: Development and Usability Study
Authors: Richardson Julie , Letts Lori , Sinclair Susanne , Chan David , Miller Jordan , Donnelly Catherine , Smith-Turchyn Jenna , Wojkowski Sarah , Gravesande Janelle , Loyola Sánchez Adalberto 
Published: March 2021

Background
The global rise in the incidence of chronic conditions and aging is associated with increased disability. Physiotherapists and occupational therapists can mitigate the resulting burden on the health care system with their expertise in optimizing function. Rehabilitation self-management strategies can assist people with chronic conditions to accept, adjust, and manage different aspects of their daily functioning. Interventions delivered using technology have the potential to increase the accessibility, availability, and affordability of rehabilitation self-management support and services.

Objective
This study aims to describe the development and usability evaluation of iamable, a web-based app created to provide rehabilitation self-management support for people with chronic conditions.

Methods
The development and evaluation of iamable were undertaken in several phases. We used user-centered design principles and an iterative process that included consultations with rehabilitation experts; developed a prototype; and conducted usability tests, heuristic evaluations, and a focus group analysis.

Results
The iamable app was developed to provide rehabilitation self-management strategies in the areas of exercise, fall prevention, fatigue management, pain management, physical activity, and stress management. We engaged adults aged ≥45 years with at least one chronic condition (N=11) in usability testing. They identified navigation and the understanding of instructions as the primary issues for end users. During the heuristic evaluation, clinicians (N=6) recommended that some areas of app content should be more succinct and that help should be more readily available. The focus group provided input to help guide clinical simulation testing, including strategies for selecting patients and overcoming barriers to implementation.

Conclusions
We engaged end users and clinicians in the development and evaluation of the iamable app in an effort to create a web-based tool that was useful to therapists and their patients. By addressing usability issues, we were able to ensure that patients had access to rehabilitation strategies that could be used to help them better manage their health. Our app also provides therapists with a platform that they can trust to empower their patients to be more active in the management of chronic conditions. This paper provides a resource that can be used by others to develop and evaluate web-based health apps.
In-Clinic Versus Web-Based Multidisciplinary Exercise-Based Rehabilitation for Treatment of Low Back Pain: Prospective Clinical Trial in an Integrated Practice Unit Model
Authors: Raiszadeh Kamshad , Tapicer Jonathan , Taitano Lissa , Wu Jonathan , Shahidi Bahar 
Published: March 2021

Background
The recent onset of the COVID-19 pandemic has highlighted the need to reduce barriers to access physical therapy and associated care through the use of web-based programs and telehealth for those seeking treatment for low back pain (LBP). Despite this need, few studies have compared the effectiveness of clinic-based versus web-based or telehealth services.

Objective
This study aims to compare the clinical outcomes of clinic-based multidisciplinary therapy in an integrated practice unit (C-IPU) model with online integrated multidisciplinary therapy (O-IPU) in individuals undergoing conservative care for LBP.

Methods
A total of 1090 participants were prospectively recruited to participate in a clinical trial registry (NCT04081896) through the SpineZone rehabilitation IPU program. All participants provided informed consent. Participants were allocated to the C-IPU (N=988) or O-IPU (N=102) groups based on their personal preferences. The C-IPU program consisted of a high-intensity machine-based core muscle resistance training program, whereas the O-IPU program consisted of therapist-directed home core strengthening exercises through a web-based platform. Changes in LBP symptom severity (Numeric Pain Rating Scale), disability (Oswestry Disability Index), goal achievement (Patient-Specific Functional Scale), and frequency of opioid use were compared between the C-IPU and O-IPU groups using multivariate linear regression modeling adjusted for age, gender, treatment number, program duration, and baseline pain and disability.

Results
Approximately 93.03% (1014/1090) of the participants completed their recommended programs, with no group differences in dropout rates (P=.78). The C-IPU group showed greater pain relief (P<.001) and reductions in disability (P=.002) than the O-IPU group, whereas the O-IPU group reported greater improvements in goal achievement (P<.001). Both programs resulted in reduced opioid use frequency, with 19.0% (188/988) and 21.5% (22/102) of participants reporting cessation of opioid use for C-IPU and O-IPU programs, respectively, leaving only 5.59% (61/1090) of participants reporting opioid use at the end of their treatment.

Conclusions
Both in-clinic and web-based multidisciplinary programs are beneficial in reducing pain, disability, and opioid use and in improving goal achievement. The differences between these self-selected groups shed light on patient characteristics, which require further investigation and could help clinicians optimize these programs.

Trial Registration
ClinicalTrials.gov NCT04081896; https://clinicaltrials.gov/ct2/show/NCT04081896
SCIENTIFIC VALIDATION OF SASTRIC SIDDHA DRUG MANJAL KAMALAI KIYAZHAM AGAINST PARACETAMOL INDUCED HEPATOTOXICITY IN ZEBRA FISH (DANIO RERIO) MODEL
Authors: R GOMATHI , E PREETHEEKHA , PRIYA P SHANMUGA , A MAMALLAN 
Published: March 2021

Objective: The objective of this study is to assess the hepatoprotective nature of Siddha formulation manjal noi kudineer (MNK) against Paracetamol induced hepatotoxicity in Zebrafish Danio rerio model.
Methods: Pharmacological studies were carried out in the adult zebra fish model in the category of four groups; each individual group contained ten animals. Groups 1, 2, 3, and 4 were considered as control groups, disease control groups, and drug treated groups at different concentrations, respectively. Histopathological analysis was recorded.
Results: The observed research findings were confirmed that this novel Siddha formulation MNK possess potent hepatoprotective effect at the both dose level of 250 mg/l–500 mg/l against paracetamol induced toxicity in Zebrafish.
Conclusion: Siddha medicinal formulation has been in practice for more than 1000 years. Liver diseases are the highly prevalent one among all the diseases. Although huge drugs are available for liver diseases, there is a need for cost effectiveness drugs without any adverse effect. From the study, it was concluded that the drug MNK has promising hepatoprotective activity in dose-dependent manners and restores the basic liver architecture by means of its rejuvenating potential against paracetamol induced toxicity in Zebrafish model. We can strongly suggest that the Sastric Siddha drug MNK to treat various kinds of liver diseases such as liver cirrhosis and hepatic carcinoma. This research work may be highly beneficial to the people who suffered from various liver diseases if the drug will be given clinically.
Analysis of Self-Efficacy and Characteristics of Patients with Chronic Kidney Disease Underwent Hemodialysis
Authors: Pakaya Rahma Edy , Syam Yuliana , Syahrul Syahrul 
Published: March 2021

Introduction: Increased awareness and understanding of the overall burden of CKD is required in managing disease independently. Self-efficacy can support self-management behavior. Objectives: This study aims to determine the self-efficacy of patients with chronic kidney disease undergoing hemodialysis based on patient characteristics. Method: This study used an analytic survey method with a cross-sectional study approach. Sampling with purposive sampling with a sample size of 80 people. Data were analyzed with Mann Whitney, Kruskall-Wallis, Spearman Correlation depending on the type of data available with a confidence level of 95%. Results: The results of self-efficacy analysis based on the characteristics of patients with chronic kidney disease undergoing hemodialysis found that there was a correlation between the length of HD and the patient's self-efficacy (p: 0.008) where the patient's self-efficacy would increase along with the addition of the patient's HD duration (r: 0.293). As for age, number of comorbidities, gender, education, marriage status, employment, financing, religious activities, social activities, blood pressure, and body weight were not related to patient self-efficacy (p> 0.05). Conclusion: Patient self-efficacy related to blood pressure. As for age, a number of comorbidities, gender, education, marriage status, employment, financing, religious activities, social activities, length of HD, and body weight were not related to patient self-efficacy.
PENGARUH MENTAL BERWIRAUSAHA DAN MODAL BERWIRAUSAHA TERHADAP MINAT BERWIRAUSAHA DENGAN MOTIVASI BERWIRAUSAHA SEBAGAI VARIABEL INTERVENING PADA MAHASISWA PROGRAM STUDI PENDIDIKAN EKONOMI FAKULTAS EKONOMI UNIVERSITAS NEGERI MEDAN STAMBUK 2017
Authors: Dewi Lubis Putri Kemala 
Published: March 2021

Permasalahan dalam penelitian ini adalah mental berwirausaha dan modal berwirausaha yang minim mengakibatkan minat berwirausaha dan motivasi berwirausaha rendah. Penelitian ini bertujuan untuk mengetahui Pengaruh Mental Berwirausaha dan Modal Berwirasuaha Terhadap Minat Berwirausaha dengan Motivasi Berwirausaha Sebagai Variabel Intervening Pada Mahasiswa Program Studi Pendidikan Ekonomi Fakultas Ekonomi Universitas Negeri Medan Stambuk 2017. Populasi dalam penelitian ini adalah seluruh Mahasiswa Prodi Pendidikan Ekonomi Stambuk 2017 Fakultas Ekonomi Universitas Negeri Medan yang terdiri dari 3 kelas yaitu kelas Pendidikan Ekonomi A, B dan C dengan jumlah 113 mahasiswa. Pengambilan sampel menggunakan rumus slovin dengan jumlah sampel yaitu 88 mahasiswa. Teknik pengumpulan data yang digunakan adalah wawancara, observasi, dokumentasi dan kuesioner. Teknik analisis data yang digunakan adalah Regresi Linear berganda dan Analisis Jalur, untuk menguji hipotesis digunakan Uji t (parsial), Uji F, dan Koefisien Determinasi (R2). Hasil penelitian menunjukkan bahwa : (1) Terdapat pengaruh yang positif dan signifikan antara mental berwirausaha dan modal berwirausaha terhadap minat berwirausaha dengan nilai F hitung > F tabel (69,280 > 3,10). (2) Terdapat pengaruh yang positif dan signifikan antara mental berwirausaha, modal berwirausaha, dan minat berwirausaha terhadap motivasi berwirausaha dengan nilai F hitung > F tabel (67,438 > 2,71). Hasil regresi linear berganda terdapat 2 persamaan yaitu Y = 29,303 + 0,496X1+ 0,553X2 + e dan Y = 42,569 +0,236 X1+ 0,361X2 + 0,599X3 + e . Hasil uji R2 Persamaan 1 sebesar 0,706 atau 70,6% sedangkan sisanya 29,4% dipengaruhi oleh variabel lain sedangkan pada Persamaan 2 sebesar 63,4% sedangkan sisanya 36,6% dipengaruhi oleh variabel lain yang tidak dimasukkan dalam model penelitian ini. Dapat disimpulkan terdapat pengaruh mental berwirausaha dan modal berwirausaha terhadap minat berwirausaha dengan motivasi berwirausaha sebagai variabel intervening pada mahasiswa Program Studi Pendidikan Ekonomi Fakultas Ekonomi Universitas Negeri Medan Stambuk 2017 Kata Kunci: Mental Berwirausaha, Modal Berwirausaha, Minat Berwirausaha, Motivasi Berwirausaha
INDONESIAN GOVERNMENT POLICY AND SMEs BUSINESS STRATEGY DURING THE COVID-19 PANDEMIC
Authors: Hidayati Ratnaningsih , Rachman Nadya Megawati 
Published: March 2021

Economic disruption by The COVID-19 pandemic has hit Indonesian economic heavily. The purpose of this study is to provide an overview of government policies and business strategies in Indonesia amid the COVID-19 pandemic. This study employed a qualitative approach with data sources of literature reviews. The results of the study indicate that the Indonesian Government has responded to the pandemic by issuing some policies regarding SMEs. There are several policies issued regarding the Micro and SMEs business. The policy is breakdown into five schemes namely (1) Social support; (2) SMES tax incentives; (3) Credit restructuring and relaxation (4) Working capital support stimulus; and (5) Collaboration with State-owned enterprise as the off-taker for SMES products. On the other hand, there are some SMES business strategies in adjusting amidst the Covid-19 pandemic in Indonesia. Those strategies are (1) Products innovation; (2) Customer and stakeholder relationship management;(3) Digital marketing and distribution; and (4) Strategic Agility.
The Effect of Government Expenditure on Economic Growth in Indonesia
Authors: Maulid Lelly Cesarina , Bawono Icuk Rangga , Sudibyo Yudha Aryo 
Published: March 2021

This study aims to examine and analyze the effect of economic growth classified as personnel expenditure, material expenditure, capital expenditure, interest payments, subsidies and social expenditure in Indonesia. The data in this study are time series data from 2005 to 2019. The hypothesis test uses the multiple linear regression method with SPSS 26. The results of testing government expenditure variables during the period 2005 to 2019 shows that components of central government expenditure include personnel, material, capital, interest payments, subsidies and social expenditure have a significant effect simultaneously on economic growth. There is a significant positive effect on the relationship between the variable personnel expenditure and material expenditure on economic growth. There is a significant negative effect on the relationship between the variable capital expenditure on economic growth. The other three variables, which include debt interest payments, subsidies and social expenditure, do not have a significant effect on economic growth.