bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating the Impact of Different Acrylamide (Electrophilic Warhead) on Osimertinib’s Pharmacological Spectrum by Molecular Mechanic and Quantum Mechanic Approach
Authors: Patel Harun , Ahmad Iqrar , Jadhav Harsha , Pawara Rahul , Lokwani Deepak , Surana Sanjay 
Published: December 2020

Background:
Lung cancer has become the prominent cause of the cancer-related deaths
globally. More than 80 % of all lung cancers have been diagnosed with Non- Small Cell Lung
Cancer (NSCLC). The USFDA approved osimertinib to treat patients with metastatic T790M
EGFR NSCLC on a regular basis in March 2017. Recently, C797S mutation to osimertinib has
been reported, which indicates the need for structural modification to overcome the problem of
mutation.

Methods:
In this bioinformatics study, we have evaluated the impact of various acrylamide as an
electrophilic warhead on the activity and selectivity of osimertinib.

Results:
Osimertinib analouge 48, 50, 60, 61, 67, 75, 80, 86, 89, 92, 93, 116 and 124 were the most
active and selective compounds against T790M EGFR mutants compared to Osimertinib.

Conclusion:
These compounds also showed less inclination towards WT-EGFR.
Neobavaisoflavone Demonstrates Valid Anti-tumor Effects in Non-Small- Cell Lung Cancer by Inhibiting STAT3
Authors: Cai Xueding , Zhou Feng , Xie Xiaona , Zheng Dandan , Yao Yulei , Zhao Chengguang , Huang Xiaoying , Hu Ke 
Published: December 2020

Aim and Objective :
Lung cancer is the most commonly occurring cancer, which
contributes to the majority of death caused by cancer, where non-small-cell lung cancer (NSCLC)
accounts for approximately 85% of lung cancer. To treat NSCLC, STAT3 has been identified as a
target with therapeutic potential. The neobavaisoflavone (NBIF) is one of the flavonoids of
traditional Chinese medicine Psoralea corylifolial.

Materials and Methods:
Human NSCLC cell lines, PC-9, H460 and A549, were applied to determine NBIF’s antiproliferative effects through cell viability and colony formation detection. The effect of NBIF on cell apoptosis was
determined through Flow cytometry-based assay. Western blotting was used in this study to confirm the levels of P-STAT3
and Bcl-2 and Bax which are apoptotic proteins.

Results:
It was observed that NBIF could decrease the cell viability and migration and induce apoptosis in human NSCLC
cell lines dose-dependently. Levels of P-STAT3, as well as the downstream signals of STAT3 pathway, were
downregulated, suggesting that the tumor-suppression effects of NBIF might be related to the inhibition of STAT3
signaling. Furthermore, NBIF could contribute to the upregulation of BAX and downregulation of BCL2.

Conclusion:
NBIF might perform the anti-NSCLC efficacy as a result of the inhibition on STAT3 pathway. Besides, our
work suggests that NBIF could provide therapeutic alternatives for NSCLC.
Detection of Natural Inhibitors against Human Liver Cancer Cell Lines through QSAR, Molecular Docking and ADMET Studies
Authors: Alam Sarfaraz , Nasreen Sadaf , Ahmad Ateeque , Darokar Mahendra Pandurang , Khan Feroz 
Published: December 2020

Background:
Liver cancer is ranked as the fifth most prevalent and third most lethal cancer
worldwide. The incidence rates of this cancer are on the rise, and only limited treatment options
are available.

Methods:
To identify and optimize the inhibitors of liver cancer cell-lines, a QSAR model was developed
by using multiple linear regression methods. The robustness of the model was validated
through statistical methods and wet-lab experiments.

Results:
The developed QSAR models yielded high activity descriptor relationship accuracy of
91%, referred to by regression coefficient (r2= 0.91), and a high activity prediction accuracy of
89%. The external predicted (pred_r2) ability of the model was found to be 90%.

Conclusion:
The QSAR study indicates that chemical descriptors such as to measure of electronegative
atom count (Epsilon3), atom type count descriptors (MMFF_10), number of a carbon atom
connected with four single bonds (SssssCE- index), molecular weight and, number of oxygen atom
connected with two aromatic bonds (SaaOE-index) are significantly correlated with anticancer activity.
The model, which was validated statistically and through wet-lab experiments, was further
used in the virtual screening of potential inhibitors against the liver cancer cell line WRL68. ADMET
risk screening, synthetic accessibility, and Lipinski's rule of five are used to filter false positive
hits. AfterwardS, to achieve a set of aligned ligand poses and rank the predicted active compounds,
docking studies were carried out. The studied compounds and their metabolites were also
analyzed for different pharmacokinetics parameters. Finally, a series of compounds was proposed as
anticancer agents.
Techniques of Mucilage and Gum Modification and their Effect on Hydrophilicity and Drug Release
Authors: Malviya Rishabha , Tyagi Vandana , Singh Dharmendra 
Published: December 2020

Aim:
The manuscript aims to describe the techniques of modification of gums and mucilages
and their effect on hydrophilicity and drug release.

Discussion:
The interest is increased in the fields of polymers which are obtained from natural origin
and used in the preparation of pharmaceuticals. Mucilage and gum are natural materials widely used in
the preparation of novel dosage and conventional dosage forms. They are used in the pharmaceutical
industry for various purposes like suspending, emulsifying, bio-adhesive, binding, matrix-forming, extended
release and controlled release agent. Gum and mucilage are biodegradable, less toxic, cheap
and easily available. Moreover, mucilage and gum can be changed to acquire tailored materials for the
delivery of drugs and allow them to compete with commercially available synthetic products. These
polysaccharides have unique swellability in an aqueous medium that can exert a retardant effect on
drug release or act as a super disintegrant, depending on the concentration utilized in the preparation.
Drug release mechanism from hydrophilic matrices consisting of gums and mucilages is based on solvent
penetration-induced polymer relaxation, diffusion of entrapped drug followed by degradation or
erosion of the matrix.

Conclusion:
The present manuscript highlights the advantages, modifications of gum and mucilage,
their effects on hydrophilicity and drug release as well as aspects of the natural gums which can be assumed
to be bifunctional excipient because of their concentration-dependent effect on drug release and
their high degree of swellability.
Covid-19: An Update on Clinical Features, Diagnosis, and Treatment Strategies
Authors: Alhkbany Manan Abdulrahman 
Published: December 2020

:
The coronavirus disease 2019 (COVID-2019) has emerged as a new public health crisis,
with the WHO officially declaring it as a pandemic on 30 January 2020. In December 2019, the
virus was reported to be transmitted to humans through an unknown intermediary animal in
Wuhan, Hubei province, China. As of 18 May 2020, there were 4,730,968 reported cases of
Covid-19, with 315,488 deaths. Direct contact among individuals is the most common transmission
method, primarily through droplets released during coughing or sneezing. The incubation period of
the virus oscillates between 2 to 14 days. The commonly reported symptoms include fatigue, sore
throat, cough, and fever. Most of the people are asymptomatic or show mild symptoms. The elderly
and people with comorbidities show severe symptoms. The disease is diagnosed by using the real-
time reverse transcription-polymerase chain reaction (RT-PCR) testing method. A blood test is
also used to detect the antibodies to the virus, which are usually released after infection. The typical
laboratory findings indicate elevated C-reactive proteins (CRP) with normal or low white blood
cell counts; the chest CT scan demonstrates ground-glass opacities (GGO) and bilateral pneumonia
in most patients. Supportive treatment is available, and research on the right treatment using existing
drugs is ongoing. Several pharmaceutical companies and research institutions are focusing on
the development of a vaccine. The review summarizes and provides an update on the pathogenesis,
diagnosis, and treatment strategies in the management of Covid-19.
IMPLEMENTATION OF (XP, YP) REPRESENTATION TO AWGNI STRUCTURAL TYPE SENTENCES
Authors: Agajie Berhanu Asaye 
Published: December 2020

The objective of this study was designed to implement {XP, YP} representations in an attempt to examine Awgni structural type sentences. A descriptive study design and purposive sampling technique were used to look at the proposed research objective. Tools used throughout collecting data were interview and focused group discussion. The research finding showed that simple sentence structures of Awgni have no more than one Verbal head. Alternatively, simple, complex, compound, and compound complex sentence may perhaps contain two and more verbal heads in their hierarchical structures. Sentences regarding their perceptible emergence, structure, syntactic representations they comprise were distinct. Accordingly, all sentential structures encompass phrasal categories that contain: Determiner Phrase (DP), Prepositional phrase (PP), Noun Phrase (NP), Adverb Phrase (ADVP), Verb Phrase (VP) and Adjective Phrase (AP). Further research is recommending on how Labeling Algorithm {XP, H} and {X, Y} applies to test out Syntactic Object representations found within simple, compound, complex and compound complex sentences of Awgni.Keywords: Awgni, Labeling Algorithm, sentence, structure, syntaxPENERAPAN REPRESENTASI (XP, YP) KEPADA KALIMAT JENIS STRUKTUR AWGNIAbstrakTujuan dari penelitian ini dirancang untuk mengimplementasikan representasi {XP, YP} untuk menguji kalimat tipe struktural Awgni. Desain penelitian deskriptif dan teknik purposive sampling digunakan untuk melihat tujuan penelitian yang diajukan. Alat yang digunakan selama pengumpulan data adalah wawancara dan diskusi kelompok terfokus. Hasil penelitian menunjukkan bahwa struktur kalimat sederhana Awgni tidak lebih dari satu kepala Verbal. Atau, kalimat sederhana, kompleks, majemuk, dan majemuk mungkin berisi dua atau lebih kepala verbal dalam struktur hierarkisnya. Kalimat-kalimat mengenai kemunculan, struktur, representasi sintaksis mereka yang terlihat tidak sesuai. Dengan demikian, semua struktur sentensial mencakup kategori frasa yang berisi: Determiner Phrase (DP), Prepositional Frase (PP), Noun Phrase (NP), Adverb Phrase (ADVP), Verb Phrase (VP) dan Adjective Phrase (AP). Penelitian lebih lanjut merekomendasikan tentang bagaimana Labeling Algorithm {XP, H} dan {X, Y} berlaku untuk menguji representasi Objek Sintaksis yang ditemukan dalam kalimat sederhana, majemuk, kompleks dan kompleks majemuk dari Awgni.Kata kunci: Awgni, label algoritma, objek sintakis, kalimat
Subjective Well-Being of Chinese Sina Weibo Users in Residential Lockdown During the COVID-19 Pandemic: Machine Learning Analysis
Authors: Wang Yilin , Wu Peijing , Liu Xiaoqian , Li Sijia , Zhu Tingshao , Zhao Nan 
Published: December 2020

Background
During the COVID-19 pandemic, residential lockdowns were implemented in numerous cities in China to contain the rapid spread of the disease. Although these stringent regulations effectively slowed the spread of COVID-19, they may have posed challenges to the well-being of residents.

Objective
This study aims to explore the effects of residential lockdown on the subjective well-being (SWB) of individuals in China during the COVID-19 pandemic.

Methods
The sample consisted of 1790 Sina Weibo users who were residents of cities that imposed residential lockdowns, of which 1310 users (73.18%) were female, and 3580 users who were residents of cities that were not locked down (gender-matched with the 1790 lockdown residents). In both the lockdown and nonlockdown groups, we calculated SWB indicators during the 2 weeks before and after the enforcement date of the residential lockdown using individuals’ original posts on Sina Weibo. SWB was calculated via online ecological recognition, which is based on established machine learning predictive models.

Results
The interactions of time (before the residential lockdown or after the residential lockdown) × area (lockdown or nonlockdown) in the integral analysis (N=5370) showed that after the residential lockdown, compared with the nonlockdown group, the lockdown group scored lower in some negative SWB indicators, including somatization (F1,5368=13.593, P<.001) and paranoid ideation (F1,5368=14.333, P<.001). The interactions of time (before the residential lockdown or after the residential lockdown) × area (developed or underdeveloped) in the comparison of residential lockdown areas with different levels of economic development (N=1790) indicated that the SWB of residents in underdeveloped areas showed no significant change after the residential lockdown (P>.05), while that of residents in developed areas changed.

Conclusions
These findings increase our understanding of the psychological impact and cost of residential lockdown during an epidemic. The more negative changes in the SWB of residents in developed areas imply a greater need for psychological intervention under residential lockdown in such areas.
An Affordable, User-friendly Telerehabilitation System Assembled Using Existing Technologies for Individuals Isolated With COVID-19: Development and Feasibility Study
Authors: Mukaino Masahiko , Tatemoto Tsuyoshi , Kumazawa Nobuhiro , Tanabe Shigeo , Katoh Masaki , Saitoh Eiichi , Otaka Yohei 
Published: December 2020

Background
Isolation due to a COVID-19 infection can limit activities and cause physical and mental decline, especially in older adults and people with disabilities. However, due to limited contact, adequate rehabilitation is difficult to provide for quarantined patients. Telerehabilitation technology could be a solution; however, issues specific to COVID-19 should be taken into consideration, such as strict quarantine and respiratory symptoms, as well as accessibility to deal with rapid increases in need due to the pandemic.

Objective
This study aims to develop and to investigate the feasibility of a telerehabilitation system for patients who are quarantined due to COVID-19 by combining existing commercial devices and computer applications.

Methods
A multidisciplinary team has identified the requirements for a telerehabilitation system for COVID-19 and developed the system to satisfy those requirements. In the subsequent feasibility study, patients diagnosed with COVID-19 (N=10; mean age 60 years, SD 18 years) were included. A single session of telerehabilitation consisted of stretching exercises, a 15-minute exercise program, and a video exercise program conducted under real-time guidance by a physical therapist through a video call. The system included a tablet computer, a pulse oximeter, videoconferencing software, and remote control software. The feasibility of the system was evaluated using the Telemedicine Satisfaction Questionnaire (TSQ; 14 items) and an additional questionnaire on the telerehabilitation system (5 items). Each item was rated from “1 = strongly disagree” to “5 = strongly agree.”

Results
The telerehabilitation system was developed by combining existing devices and applications, including a pulse oximeter and remote control mechanism, to achieve user-friendliness, affordability, and safety, which were determined as the system requirements. In the feasibility study, 9 out of 10 patients were able to use the telerehabilitation system without any on-site help. On the TSQ, the mean score for each item was 4.7 (SD 0.7), and in the additional items regarding telerehabilitation, the mean score for each item was 4.3 (SD 1.0).

Conclusions
These findings support the feasibility of this simple telerehabilitation system in quarantined patients with COVID-19, encouraging further investigation on the merit of the system’s use in clinical practice.
Threshold for calcium volume evaluation in patients with aortic valve stenosis: correlation with Agatston score
Authors: Angelillis Marco , Costa Giulia , De Backer Ole , Mochi Veronica , Christou Andrea , Giannini Cristina , Spontoni Paolo , De Carlo Marco , Søndergaard Lars , Miccoli Mario , Petronio Anna S. 
Published: December 2020

Background
The evaluation of aortic valve calcium burden is important when planning for transcatheter aortic valve implantation (TAVI). Although a robust golden standard methodology is available for calcium evaluation on noncontrast-enhanced (NCE) computed tomographic (CT) series, a standard reference for calcium assessment on contrast-enhanced CT series is currently lacking.

Methods
Two hundred and forty-four preprocedural CT scans from patients who had received TAVI were analysed. We correlated the aortic calcium volumes obtained on CE series at three thresholds [450, 850, and ‘probe + 100’ Hounsfield Units (HU)] with the Agatston score obtained on NCE scans. A subgroup analysis was performed taking into account the contrast enhancement of the left ventricular outflow tract (LVOT), with a prespecified cut-off of 300 HU.

Results
The overall population analysis showed higher correlation with the Agatston score using the 850 HU threshold (r = 0.45, P < 0.0001); no correlation was found with the 450 HU threshold, whilst the ‘probe + 100’ HU threshold showed a weaker correlation (r = 0.30, P < 0.0001). In patients with LVOT enhancement less than 300 HU, 450 HU showed the highest accuracy in calcium identification (r = 0.70, P < 0.0001), whereas in patients with LVOT enhancement of at least 300 HU, the most accurate threshold was 850 HU (r = 0.46, P < 0.0001).

Conclusion
The thresholds for correct calcium identification using the automatic 3Mensio software depend on the contrast enhancement of aortic and cardiac structures, which can be estimated by measuring the HU in the LVOT. In patients with LVOT HU of less than 300, the correct threshold to be set in the software is 450 HU, whereas in patients with LVOT HU of at least 300 the correct threshold is 850 HU.
Clinical characteristics of essential thrombocythemia patients depend on the mutation status
Authors: Prejzner Witold , Mital Andrzej , Bieniaszewska Maria , Leszczyńska Aleksandra , Szymańska Agata , Czarnogórski Michał , Hellmann Andrzej 
Published: December 2020

AbstractThe impact of the mutation status on the clinical course and the outcome of essential thrombocythemia (ET) patients has not yet been completely established. A total of 171 patients with diagnosed ET were tested and subsequently grouped, according to their mutation status – Janus Kinase 2 (JAK2) – 112 patients, calreticulin (CALR) – 36 patients, and thrombopoietin receptor (MPL) – 5 patients. Moreover, 18 individuals were triple-negative (with non-mutated JAK2, CALR, and MPL). CALR-mutated patients preferentially were male, with higher platelets (PLT) counts (mean PLT = 1 002.3) and lower hemoglobin and hematocrit levels at the diagnosis, compared to the JAK2 (mean PLT = 933.6), MPL (mean PLT = 940.8) and triple-negative patients (mean PLT = 822.6) (p = 0.0035). The patients with CALR mutated, and the triple-negative ones had a lower risk of arterial and venous thrombosis (3% and 5.6% cases at the time of diagnosis, respectively) than the patients with JAK2 mutation (7.2%) (p = 0.9210). The overall survival rate did not differ statistically between the groups.
Erythromycin Resistance in Bacterial Isolates from Patients with Respiratory Tract Infections in Ikere-Ekiti, Nigeria
Authors: Kolawole Olatunji M. , Idris Olayinka O. 
Published: December 2020

Abstract
The occurrence of erythromycin resistance in bacteria causing respiratory tract infections varies among populations and is associated with inappropriate antibiotic usage. This study was undertaken to determine erythromycin resistance in bacterial isolates from patients with respiratory tract infections in Ikere-Ekiti. Bacteria were isolated from sputum specimens using standard microbiological protocols while the antibiotic susceptibility pattern of isolates was determined using the Kirby-Bauer method. Erythromycin resistance genes: mefA, ermA, and ermB were detected using multiplex polymerase chain reaction (PCR). Out of the 157 bacterial isolates identified using standard microbiological methods, Klebsiella spp. 40 (25%) was the most frequent followed by Staphylococcus aureus 34 (22%) and Proteus spp. 34 (22%) while Streptococcus spp., Escherichia coli, and Bacillus spp. had 19 (12%), 20 (13%), and 10 (6%) respectively. Most of the bacterial isolates were resistant to penicillin 148 (94%), cloxacillin 147 (93.6%), amoxicillin-clavulanic acid 141 (90%), erythromycin 141 (90%), and tetracycline 124 (79%). However, the isolates were least resistant to trimethoprim-sulfamethoxazole 57 (36%). Out of the 48 bacterial isolates investigated using multiplex PCR amplification for erythromycin resistance genes, 10 (20.8%) were positive for mefA, 3 (6.3%) were positive for ermA, and 2 (4.2%) were positive for ermB. The association between the presence of mefA, ermA, and ermB genes and erythromycin resistance was not significant (p=0.464). The presence of erythromycin resistant genes in pathogenic bacterial isolates from the respiratory tract was revealed in this study. Awareness of the risk of self-medication and abuse of antibiotics should be emphasized.
Determinants of Food Security Among Small-Scale Soybean Households in Butere Sub-County, Kenya
Authors: Gwada Robert Ouko , Ouko Kevin Okoth , Mayaka Zephaniah Ongaga , Dembele Bandiougou 
Published: December 2020

Summary
Food and nutritional (in)security remain an important matter of concern, especially in developing countries. Despite the efforts to enhance food security among smallholder soybean households, the proportion of the undernourished population in Butere Sub-County still remains high for unknown reasons. Therefore, the purpose of this paper is to examine the determinants of food security among smallholder soybean households in Butere Sub-County, Kenya. The study adopted the exploratory research design. A multi-stage sampling procedure was used to select a sample of 201 respondents. Cross-sectional data were gathered through face-to-face interviews using pretested semi-structured questionnaires and analyzed using ordered logistic regression model. Household Food Insecurity Access Scale was used to measure and categorize the soybean household food (in)security status. The results revealed that the household food (in)security status differed across soybean households and was greatly influenced by an interplay of socio-economic, market, and institutional factors. Age of the household head negatively influenced food security, whereas the level of soybean commercialization, education, livestock units, network density, extension visits, and credit access were positively associated with household food security. The study recommends policy interventions that seek to ensure intensive literacy development, frequent extension and training, improved access to credit, and reinvestment in productive assets or inputs for increased production, commercialization and food security. Strengthening of social ties and increased allocation to safety net programs for the aged, vulnerable, and resource-poor households are also recommended.