bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanism of Proton Transfer in Bacteriorhodopsin
Authors: Macernis Mindaugas , Mourokh Lev , Valkunas Leonas 
Published: January 2021

Abstract
Photoinduced proton pumping in bateriorhodopsin (bR) was extensively studied using multiple experimental methods and utilizing various theoretical modeling approaches. These studies usually refer to well-resolved structural data of bacteriorhodopsin. However, despite obtained results, the origin of the proton pumping force initiated by the electronic excitation of retinal remains questionable. Here we discuss the challenges and approaches to modeling the proton transfer in bR and demonstrate that the process, which starts from the electronic excitation of the retinal molecule, is mainly due to the detailed arrangement of the protein environment. Using quantum chemical calculations, we have revealed that the retinal molecule after its excitation is fixed in the ground state of 13-cis,15-syn configuration, as a result of interaction with specific protein residuals. Thus, reaching this fixed configuration, the proton is first transferred to the Asp-85 residue from the water molecule, which is subsequently restored by the proton initially located in the Schiff base.
Bound on Efficiency of Heat Engine From Uncertainty Relation Viewpoint
Authors: Mitra Ayan , Chattapadhyay Pritam , Paul Goutam , Zarikas Vasilios 
Published: January 2021

Abstract
Quantum cycles in established heat engines can be modeled with various quantum systems as working substances. As for example, heat engine can be modeled with an infinite potential well as the working substance to determine the efficiency and work done. However, in this method, the relationship between the quantum observables and the physically measurable parameters, i.e., the efficiency and work done is not well understood from the quantum mechanics approach. A detailed analysis is needed to link the thermodynamical variables (on which the efficiency and work done depends) with the uncertainty principle for better understanding. Here, we present the connection of sum uncertainty relation of position and momentum operators with thermodynamic variables in the quantum heat engine model. We are able to determine the upper and lower bounds on the efficiency of the heat engine through uncertainty relation.
Occupational Stress Assessment of Health Care Workers (HCWs) Facing COVID‐19 Patients in Iran
Authors: zare Sajad , dameneh Moslem Mohammadi , Esmaeili Reza , Kazemi Reza , Naseri Sahar , Panahi Davoud 
Published: January 2021

Abstract
Background: The health care workers (HCWs) in medical sectors are among the vital assets of any country during the emergence of crises such as pandemic prevalence caused by COVID-19. Therefore, maintaining the health of this group of staffs is necessary not only to save lives of patients, but also to control prevalence of diseases. People at the frontline of fighting COVID-19 are at higher risk for mental health problems, including stress, anxiety, depression, and insomnia. The main objective of this study is to study the status of job stress in the three occupational groups of nurses, physicians and hospital cleaning crew facing corona patients in Iran hospitals.Methods: This cross-sectional descriptive analytical study is performed on 290 medical staff (nurses, physicians and cleaning crew) facing COVID-19 patients working in different hospitals in Iran in 2020. Demographic information form and Job Stress Questionnaire (HSE tool indicator) were used to collect data. The HSE questionnaire has 35 questions and 7 areas, which was developed in the 1990s by the UK Health and Safety Institute to measure job stress.Results: 59% of the participants in this study were male. 62% of participants in this study were married. Participants often had work experience between 3 to 10 years. 66% of the participants were in the age range of 20 to 30 years. Percent of participants’ shift work satisfaction was 67%. Also, according to the results of the present study, 87% of nurses, 79% of cleaning crew and 67% of physicians had a partial to high levels of stress that, on average, 77.5% of the HCWs participating in this study had at least a small amount of stress.Conclusions: The prevalence of COVID-19 has a great impact on the level of job stress in the HCWs of Iranian hospitals. Factors such as high workload, low response time at the peak of hospital visits, lack of adequate support for top managers of all job groups equally, lack of access to adequate personal protective equipment, unpreparedness of managers and staff to respond to the critical and emergency conditions on stress incidence were effective on the present study.
Axial Dispersion Plug Flow Model for Methanol Dehydration Reactor
Authors: Zare Masoud Habibi , Mahlouji Mohammad Davar 
Published: January 2021

Abstract
One-dimensional heterogeneous dispersed plug flow (DPF) model is employed to model an adiabatic fixed-bed reactor for the catalytic dehydration of methanol to dimethyl ether (DME). The mass and heat transfer equations are numerically solved for the reactor. The concentration of the reactant and products and also the temperature varies along the reactor, therefore the effectiveness factor would also change in the reactor. We used the effectiveness factor that was simulated according to the diffusion and reaction in the catalyst pellet as a pore network model. The predicted distribution for the effectiveness factor was utilized for the reactor simulation. The simulation results were compared to the experimental data and a satisfactory agreement was confirmed.
Exploration of interethnic variation in the ibuprofen metabolizing enzyme CYP2C9: a cautionary guide for treatment of COVID-19 symptoms
Authors: Almarzooq Ammar 
Published: January 2021

Abstract
Background: Coronavirus disease 2019 (COVID-19), is a rapidly spreading infectious illness that causes a debilitating respiratory syndrome. Supportive therapy remains the standard for mild-to-moderate cases, including treatments with non-steroidal anti-inflammatory drugs (NSAIDs) e.g. ibuprofen, such medications may increase COVID-19 complications when used in patients with acute viral respiratory infections. Methods: P450 enzyme CYP2C9 are known to be involved in the metabolism of NSAIDs, however, their pharmacogenetic data are limited. This study aims to better understand the genetic landscape of CYP2C9 sequence variation across different ethnic and geographic groups, in correlation with ibuprofen dosing guidelines. A cohort of 101 Jordanian Arab samples were retrospectively recruited and genotyped using Affymetrix DMET Plus Premier Package. Results: This study identified 18 single nucleotide polymorphisms (SNP) within CYP2C9 in 101 Jordanian Arabs, within the context of over 100,000 global subjects in 417 published reports. Genetic structure analysis across populations revealed that Jordanian Arabs share the closest CYP2C9 sequence homology to Near East and European populations. The Jordanian Arab population was also shown to be genetically heterogeneous for CYP2C9, with approximately 33% of individuals sampled exhibiting an ‘at risk’ SNP requiring non-standard ibuprofen dosing that is different from the established guidelines. Conclusions: This is the most comprehensive and up-to-date analysis for CYP2C9 allele frequencies across multi-ethnic populations world-wide. The use of modern genomic tools coupled with a proactive assessment of the most likely gene-drug candidates will lead to a better understanding of the role of pharmacogenetics for COVID-19 and more effective treatments. Trial registration: : The Institutional Review Board (IRB) of the Jordan University of Science and Technology approved this study on 4/7/2013 with approval number 67/2/2013.
Cost Effectiveness of using Faecal Immunochemical Testing (FIT) as an Initial Diagnostic Investigation for Patients with Lower Gastrointestinal Symptoms Suggestive of Malignancy.
Authors: Kearsey Christopher , Graham Catherine , Lobb Harry , Chako Jerry , Weatherburn Rachael , Rooney Paul 
Published: January 2021

Abstract
BackgroundThere has been an increase in the numbers of patients presenting to primary care with suspected colorectal malignancy and subsequently an increase in demand for endoscopy. This study aims to forecast the cost of faecal immunochemical testing (FIT) compared to conventional diagnostic tests as a primary investigation for patients with symptoms suggestive of colorectal malignancy.MethodsRetrospectively, 1950 patients with symptoms suggestive of colorectal malignancy who were referred through primary care and underwent investigations through standard endoscopic evaluation were included. These patients were used to forecast the cost of faecal immunochemical testing creating theoretical data for sensitivity and specificity. Outcome measures included: the number of investigations under current protocol; cost of current investigations; number of predicted false negatives and false positives and positive/negative predictive values using current sensitivity data for FIT; the cost forecast of using FIT as the primary investigation for colorectal malignancy.Results: Median age was 65 (IQR 47-82) with 43.7% male and 56.3% female. A total of 1950 investigations were carried out with a diagnostic yield of 26 cancers (18 colon, 8 rectal), 138 polyps and 29 high risk adenomas (HGD +/- >10mm). In total, £713,948 was spent on the investigations. The commonest investigation was colonoscopy totalling £533,169. The total cost per cancer diagnosis was £27,459. Sensitivity (92.1% CI 86.9-95.3) and specificity (85.8% CI 78.3-90.1) for FIT in colorectal cancer was taken from NICE and was costed via the manufacturer(s). The projected total cost of FIT for the same population using a ≥4μg haemoglobin cut off was £415,680 (£15,554 per cancer). The total cost of high-risk polyps using ≥4μg cut off was £404,427 (sensitivity 71.2% CI 60.5-87.2, specificity 79.8%CI 76.1-83.7) or £13,945 per polyp.Conclusions: FIT is a cheaper and effective alternative test with the potential to replace current expensive methods. The forecast is based on the limited data available for sensitivity/specificity in the current literature. FIT has now been commenced for symptomatic patients in the UK and therefore sensitivity may change in the future.
Improvement of Sperm Morphology After Surgical Varicocele Repair
Authors: Morini Daria , Spaggiari Giorgia , Daolio Jessica , Melli Beatrice , Nicoli Alessia , Feo Gaetano De , Valli Barbara , Viola Domenico , Garganico Simona , Magnani Elena , Pilia Annalisa , Polese Alessandra , Colla Rossana , Simoni Manuela , Aguzzoli Lorenzo , Villani Maria , Santi Daniele 
Published: January 2021

Abstract
Setting: A causative relationship between varicocele and impairment of semen quality has been largely investigated in the context of male infertility, although its clinical benefit remains controversial.Objective: To investigate the effect of varicocele correction on detailed morphologic microscopic semen parameters in a large homogeneous cohort of patients and to evaluate which factors could predict semen improvement after the surgical treatment.Design: An observational, retrospective cohort study was carried out including all patients undergoing surgical treatment for varicocele from September 2011 to March 2020 in the same clinical centre. Enrolled males performed at least one semen analysis before and one after surgical varicocele correction. Primary outcome was the detailed morphologic microscopic sperm evaluation. Secondary outcomes were conventional semen analyses.Results: 121 males (mean age 24.6+6.1 years) were enrolled. Using detailed morphologic microscopic sperm evaluation, a significant morphological improvement was recorded, with a reduction in head and tail abnormalities. Moreover, a significant increase in sperm concentration (p=0.015) and percentage of progressive and total motility (p=0.022 and p=0.039) were observed after surgery. The multivariate logistic analysis identified the ultrasonography varicocele degree before surgery as a main predictor of the sperm concentration improvement (p=0.016), with the highest improvement for varicocele of I and II degree. Conclusion: For the first time, the detailed morphologic microscopic sperm evaluation highlights a relevant reduction in sperm abnormalities after varicocele surgery, showing its potential application in clinical practice.
Sulfonated Pyromellitic Dianhydride-functionalized MCM-41: A Multifunctional Hybrid Catalyst for Melting-assisted Solvent-free Synthesis of Bioactive 3,4-dihydropyrimidin-2-(1H)-ones
Authors: Valiey Ehsan , Dekamin Mohammad , Alirezvani Zahra 
Published: January 2021

Abstract
This study introduces a practical approach to fabricate a novel hybrid catalyst of namely sulfonated pyromellitic dianhydride-aminopropyl silane-functionalized MCM-41 (MCM-41-APS-PMDA-SO3H). Various microscopic, spectroscopic methods and techniques such as FTIR, TGA, XRD, FESEM, and EDX were used to confirm its structural characteristics. The efficiency of the new MCM-41-APS-PMDA-SO3H organosilica nanomaterials, as a heterogenous nanocatalyst, was evaluated in promoting the synthesis of biologically active 3,4-dihydropyrimidin-2-(1H)-one derivatives under solvent-free conditions. It is not only a nano-porous material for enriching reactants with high surface area provided, but also possesses great acidic sites to activate carbonyl groups. Furthermore, favored reusability of the new introduced hybrid organosilica with negligible loss of its activity, easy and quick isolation of the products are the main advantages of this procedure.
A Mesenchymal-like Program of Dormancy controlled by ZFP281 Serves as a Barrier To Metastatic Progression of Early Disseminated Cancer Cells
Authors: Aguirre-Ghiso Julio , Nobre Ana Rita , Dalla Erica , Yang Jihong , Huang Xin , Kenigsberg Ephraim , Wang Jianlong 
Published: January 2021

Abstract
Increasing evidence shows that cancer cells can disseminate from early-evolved primary lesions much earlier than the classical metastasis models predicted. It is thought that a state of early disseminated cancer cell (early DCC) dormancy can precede genetic maturation of DCCs and metastasis initiation. Here we reveal at single cell resolution a previously unrecognized role of mesenchymal- and pluripotency-like programs in coordinating early cancer cell spread and a long-lived dormancy program in early DCCs. Using in vitro and in vivo models of invasion and metastasis, single cell RNA sequencing and human sample analysis, we provide unprecedented insight into how early DCC heterogeneity and plasticity control the timing of reactivation. We identify in early lesions and early DCCs the transcription factor ZFP281 as an inducer of mesenchymal- and primed pluripotency-like programs, which is absent in advanced primary tumors and overt metastasis. ZFP281 not only controls the early spread of cancer cells but also locks early DCCs in a prolonged dormancy state by preventing the acquisition of an epithelial-like proliferative program and consequent metastasis outgrowth. Thus, ZFP281-driven dormancy of early DCCs may be a rate-limiting step in metastatic progression functioning as a first barrier that DCCs must overcome to then undergo genetic maturation.
NCDs-COVID19 Preventions, Environmental – Nutrition Perspective Approach; (The Case of Tanzanian Students)
Authors: Kilimba Ulumbi , Baysen Engine 
Published: January 2021

Abstract
INTRODUCTION; : Non-communicable diseases (NCDs) are serious public diseases. They are affecting a larger a number of young people who are from developing countries. Characterized by been non-transferrable diseases. The main risk factors include unhealthy behaviors and metabolic syndromes. Unhealthy behaviors include excess use of salts, sugar, fats food and alcohol, other are cigarettes, physical inactive and inadequate intake of fruits and vegetable, but also overweight/obesity, hypertension high cholesterol and hyperglygriciride. Common NCDs killers are CVDs, chronic respiratory diseases, diabetes and cancer OBJECTIVES;: main objective of this study was to assess the student knowledge on NCD-COVID-19 prevention; environmental – nutrition perspective approach.. METHOD;: Cross section study design conducted at Dar-es-salaam- Tanzania. Purposive method used to select participants within six secondary schools that are situated at city center. The likert scale questioner used to obtain non-parametric data. The validation and reliability of tool pre-tested before actual data collection. The data were analyzed under ordinal regression analysis under the help of computer with SPSS- 20 version software. The descriptive statistics established frequencies and percentages while statistical measures were median and IQR. RESULTS;: about 600 students were recruited and participated, 54.7% were female and 45.3% male, (SD) mean was 18.3 and SD was 0.64. Students were knowledgeable on nutrition perspective by 81% while on environmental perspective was 50%. CONCLUSION; : the study concluded that, to speed up NCDs–COVID19 prevention, the multipart environmental education, curriculum education review and adoption of new NCDs strategic action (2018-2020) are needed.
The Emergence of Dissociative Experiences as a Function of Perceived Stress Among University Students During the COVID-19 Lockdown
Authors: Garbóczy Szabolcs , Szemán-Nagy Anita , Ahmad Mohamed S. , Harsányi Szilvia , Ocsenás Dorottya , Rekenyi Viktor , Tischler Petra , Al-Tammemi Ala'a B. , Kolozsvári László Robert 
Published: January 2021

Abstract
Background: The findings of previous literature showed that epidemics and the associated control measures can increase the level of stress experienced by people. The phenomenon of dissociation has been investigated by many studies, and some have found that stress and trauma may play a central role in its development. In our research study, we examined the effect of COVID-19 lockdown on the mental health of students at the University of Debrecen in Hungary. We investigated whether or not the changes caused by the pandemic induced stress among students and whether or not it was accompanied by an increase in the number of dissociative experiences. Methods: A questionnaire-based cross-sectional study was conducted at the University of Debrecen in Hungary in the period April 30 - May 15, 2020, to assess levels of perceived stress as well as dissociative experiences among students at the time of the official nationwide lockdown. Our survey has adopted the Perceived Stress Scale (PSS) and the Dissociative Experiences Scale (DES). A total of 1320 students have enrolled in our study. Results: Our results showed a high level of perceived stress among the students during the pandemic and lockdown. This elevation was found to have a significant correlation with the emergence of dissociative experiences among both the Hungarian and the international students. Also, these changes were significant among males and females and in all subscales. Female students’ levels of dissociative experiences were higher than of male students on all subscales and in both groups (Hungarian and international). Conclusion: According to our findings, the COVID-19 pandemic, and the quarantine situation increased the perceived stress level which has played a significant role in the development of dissociative experiences among the students. The increased frequency of dissociative experiences entails a higher risk to the appearance of dissociative disorders; thus, it is crucial to create a safety net for university students who are susceptible to high levels of stress.
The Neural Correlates of Product Attachment to Cosmetics: Is It Similar to That of Attachment in Human Relationships?
Authors: Kikuchi Yoshiaki , Noriuchi Madoka , Isobe Hiroko , Shirato Maki , Hirao Naoyasu 
Published: January 2021

Abstract
We used functional magnetic resonance imaging to investigate the similarities in the attachment toward individual's favorite cosmetics and beloved person, both of which are reinforced by touch-driven behaviors. We conducted 2 (visual and visual with tactile) × 2 (preferred and non-preferred cosmetics) experiments. Thereafter, we set regions of interest as per previous studies of human relationship attachment and tested their significance. The hippocampus, posterior cingulate cortex (PCC), putamen, periaqueductal gray (PAG), dorsal raphe nucleus (DRN), and ventral tegmental area were activated in the visual with tactile session, but not in the visual session, revealing that common brain regions are activated in human relationship attachment and attachment to cosmetics, and that tactile cue is important for attachment to cosmetics. Moreover, the PAG showed an interactive effect between tactile cue and preference, and the DRN positively correlated with "security" feeling associated with attachment. Activity in these regions was positively correlated with activity of the PCC and primary somatosensory cortex. This suggests that tactile discriminative cues induce the individual's autobiographical memories of using the cosmetics daily, and the DRN and PAG are activated in association with these memories. These serotonergic and oxytocinergic activities may be critical for the maintenance of attachment to cosmetics.
A case of dermatomyositis in a patient with central core disease: Unusual association with autoimmunity and genetic muscle disease
Authors: Kim Min Jung , Kim Mi Hyeon , Park Sung-Hye , Song Yeong Wook 
Published: January 2021

Abstract
BackgroundDermatomyositis is an inflammatory muscle disease caused by immune-mediated muscle injury, and central core disease (CCD) is a congenital myopathy associated with disturbed intracellular calcium homeostasis and excitation-contraction coupling. To date, CCD has not been reported to have autoantibodies or coexist with inflammatory myopathy.Case presentationHere, we described the case of a 25-year-old woman who had progressive proximal muscle weakness, myalgia, pruritic macular rash, skin ulcers, and calcinosis. Dermatomyositis was initially suspected based on the clinical symptoms accompanied by elevated muscle enzyme levels, electromyography abnormalities, and a positive antinuclear antibody test. However, the patient’s muscle biopsy revealed the characteristic findings of both dermatomyositis and CCD, suggesting that dermatomyositis occurred in this patient with previously asymptomatic CCD. The patient did not have any pathogenic gene mutations associated with congenital myopathy, including RYR1 and SEPN1 in targeted next-generation sequencing. She received high-dose glucocorticoid therapy and azathioprine with a significant improvement in muscle strength.ConclusionsWe present a case of rare coexistence of dermatomyositis and CCD. Clinicians should be aware that patients with CCD may have inflammatory myopathy that responds well to immunosuppressive therapy.