Miracle-dz/UniFAR-FTUs huggingface dataset:
Aquaglyceroporin AQP7’s affinity for its substrate glycerol

AQP7 is one of the four human aquaglyceroporins that facilitate glycerol transport across the cell membrane, a biophysical process that is essential in human physiology. Therefore, it is interesting to compute AQP7’s affinity for its substrate (glycerol) with reasonable certainty to compare with the experimental data suggesting high affinity in contrast with most computational studies predicting low affinity. In this study aimed at computing the AQP7-glycerol affinity with high confidence, we implemented a direct computation of the affinity from unbiased equilibrium molecular dynamics (MD) simulations of three all-atom systems constituted with 0.16M, 4.32M, and 10.23M atoms, respectively. These three sets of simulations manifested a fundamental physics law that the intrinsic fluctuations of pressure in a system are inversely proportional to the system size (the number of atoms in it). These simulations showed that the computed values of glycerol-AQP7 affinity are dependent upon the system size (the inverse affinity estimations were, respectively, 47.3 mM, 1.6 mM, and 0.92 mM for the three model systems). In this, we obtained a lower bound for the AQP7-glycerol affinity (an upper bound for the dissociation constant). Namely, the AQP7-glycerol affinity is stronger than 1087/M (the dissociation constant is less than 0.92 mM). Additionally, we conducted hyper steered MD (hSMD) simulations to map out the Gibbs free-energy profile. From the free-energy profile, we produced an independent computation of the AQP7-glycerol dissociation constant being approximately 0.18 mM. Table of contents entry
Seasonal and Spatial Variations of Iron and Zinc Values in  Meadows with a Semi-Arid Climate

Seasonal changes in the climate, as well as in plants and species living in this environment, which causes serious problems. Current work was carried out to evaluate the seasonal impact on the concentration of iron (Fe) and zinc (Zn) in soil, forages and animals. A semi arid dry climatic area of Pakistan was selected to find out the seasonal effects on soil and availability of Zn and Fe, and its translocation to forages and animals. Twenty seven forages were collected and 320 ruminant samples collected from two sites in four seasons. Effect of spatial-temporal variations were studied on the ruminants of four physiological stages (Does, Bucks, Wether and Juvenile). Different sources from goats including blood, feces and urine were collected for the analysis of Zn and Fe. Results showed that both elements in soil were significantly (P < 0.05) affected by season and site x season. In forages, only site showed significant effect on Fe and Zn, while Zn was affected non-significantly (P > 0.05) by season and site x season. Zn and Fe in goats were non-significantly affected by season and source x stages, while significantly affected by sites and sources. All values of both elements were in safe limits except deficiency of Fe (1.69 to 2.33 mg/L) in blood. Results of health indices were also in the limits. Current work encircles the spatio- temporal effects on mineral availability in the food chain and also concern the health effects related to ruminant health.
Efficacy and Safety of Teprotumumab in Thyroid Eye Disease

Abstract Thyroid eye disease (TED; also known as thyroid-associated ophthalmopathy) is an autoimmune condition with disabling and disfiguring consequences. Teprotumumab is the first and only medication approved by the United States Food and Drug Administration for the treatment of TED. We review the efficacy and safety of teprotumumab in TED, highlighting results from the 2 randomized, double-masked, placebo-controlled trials. Post-approval case reports of teprotumumab use in patients with compressive optic neuropathy (CON) and inactive TED were similarly favorable to those from the trials. The preliminarily results of teprotumumab for CON and inactive TED should be investigated in formal clinical trials. Teprotumumab should be avoided in pregnancy. Evidence also suggests that teprotumumab may exacerbate pre-existing inflammatory bowel disease, worsen hyperglycemia, and be associated with hearing impairment. Patients at risk for these adverse events need to be closely monitored with baseline and periodic assessments.
Influence analysis of admixtures on mechanical properties of non-alloy structural steels

Purpose: The paper introduces analysis results of selected alloying elements influence on mechanical properties of alloy structural steels for quenching and tempering. Design/methodology/approach: Investigations were performed in virtual environment with use of materials science virtual laboratory. Virtual investigations results were verified in real investigative laboratory. Findings: Materials researches performed with use of material science virtual laboratory in range of determining the mechanical properties are consistent with the results obtained during the real research in real laboratory. Practical implications: Development of virtual tools, which are simulating the investigative equipment and simulating the research methodology, can serve as a basis for combining aspects of laboratory research, simulation, measurement, and education. Application of these tools will allow the transfer of research and teaching procedures from real laboratory to virtual environment. This will increase the number of experiments conducted in virtual environment and thus, it will increase the efficiency of such researches. Originality/value: Modelling of structural steels mechanical properties is valuable for steel designers and manufacturers, because it is associated with financial benefits, when expensive and time-consuming researches are reduced to necessary minimum.
MicroRNA-214 in Health and Disease

MicroRNAs (miRNAs) are endogenously expressed, non-coding RNA molecules that mediate the post-transcriptional repression and degradation of mRNAs by targeting their 3′ untranslated region (3′-UTR). Thousands of miRNAs have been identified since their first discovery in 1993, and miR-214 was first reported to promote apoptosis in HeLa cells. Presently, miR-214 is implicated in an extensive range of conditions such as cardiovascular diseases, cancers, bone formation and cell differentiation. MiR-214 has shown pleiotropic roles in contributing to the progression of diseases such as gastric and lung cancers but may also confer cardioprotection against excessive fibrosis and oxidative damage. These contrasting functions are achieved through the diverse cast of miR-214 targets. Through silencing or overexpressing miR-214, the detrimental effects can be attenuated, and the beneficial effects promoted in order to improve health outcomes. Therefore, discovering novel miR-214 targets and understanding how miR-214 is dysregulated in human diseases may eventually lead to miRNA-based therapies. MiR-214 has also shown promise as a diagnostic biomarker in identifying breast cancer and coronary artery disease. This review provides an up-to-date discussion of miR-214 literature by describing relevant roles in health and disease, areas of disagreement, and the future direction of the field.
PARAMETER IDENTIFIABILITY METHOD BASED ON THE PARAMETER-OUTPUT SENSITIVITY MATRIX FOR A SOLID-STATE FERMENTATION PROCESS

Solid-state fementation processes are still hindered by reactor excessive heating due to growth of the microorganisms. To overcome this problem, the process must be controlled. Modeling and simulation may help the control development, and for this procedure parameter estimation is an important step. Not all parameters are always estimable, which lead us to an identifiability problem. In this work a parameter identifiability analysis is taken for a solid-state fermentation model with six state variables to evaluate the most important parameters set used in the model. The reduction from 17 to 10 parameters to be estimated in the model led to a better fitting of the model to the experimental data.
The Tern Programme Study protocol for an implementation trial of a flexible, long-term psychosocial intervention for complex posttraumatic stress in young people

ABSTRACT Background: Complex Trauma (CT) is a term used to refer to multiple or prolonged traumatic experiences. Such experiences are often first encountered during childhood and may impact key developmental periods. CT is a risk for a broad range of deleterious physical, psychological, social, and occupational outcomes. The diagnosis of Complex Posttraumatic Stress Disorder (C-PTSD) has been proposed to capture the symptomatology resulting from CT exposure. In Australia, there are few publicly funded services that target, and are purposely designed to support, the mental health needs of young people with symptoms of complex post-traumatic stress (C-PTSD). The Tern Programme has been designed as a purpose-built model of care for providing mental health support to young people with C-PTSD. Methods: This implementation trial will involve a longitudinal examination of Tern participants for a fixed 24-month period. Participants will be recruited from the young people referred to Tern at headspace centres in regional Australia where Tern operates. Eligible participants will have reported a history of complex trauma, and present with symptoms of C-PTSD. All participants will be invited to complete a series of surveys during their participation in the programme. Survey items will assess C-PTSD symptom change, quality of life and occupational functioning. The Tern model of care is delivered in a semi-structured format to accommodate a person-centred flexible approach. Fidelity will be monitored through the completion of a clinician post-session checklist and through group supervision. Discussion: This study will provide the first quantitative data on the new Tern model of care and evaluate mental health and functional outcomes of its participants. If effective, Tern may be suitable for replication in other Australian or international youth mental health services where complex post-traumatic stress is prevalent. Trial Registration: Australia and New Zealand Clinical Trials Registry (ANZCTR): ACTRN12621000079842p. Prospectively registered on 29 January 2021. Abbreviations: CT = Complex Trauma; C-PTSD = Complex Posttraumatic Stress Disorder HIGHLIGHTS Tern represents a new model of care incorporating a flexible, person-centred approach to C-PTSD treatment whilst providing for the complex needs of young people as well as the wellbeing of the staff delivering the intervention.
Application of Chaos in Permanent Magnet Synchronous Motor Optimization

Permanent magnet synchronous motor (PMSM) is a system with multi-variable, strong coupling and nonlinear. It is difficult to establish its precise mathematical model, and the parameter optimization method of PMSM control system is subject to many limitations. Aiming at the design of PID tuning of PMSM control system, a chaos optimization method based on Logistic chaotic map is proposed to avoid the complex process of PMSM modeling and parameter optimization analysis. Results have shown that this method is simple and efficient with short response time and small overshoot after the parameter optimization.
An analytical drain current model considering both electron and lattice temperatures simultaneously for deep submicron ultrathin SOI NMOS devices with self-heating

This paper reports a closed-form analytical drain current model considering both electron and lattice temperatures simultaneously using a quasi-two-dimensional approach for deep submicron ultrathin SOI NMOS devices. As verified by the experimental data, the closed-form analytical model shows a good predication of the negative differential resistance behavior. Based on the analytical model, with a channel length of >
Research on the effect of wear-ring clearances to the performance of centrifugal pump

In order to study the effect of wear-ring clearance on the performance of centrifugal pump, based on the Reynolds Time-Averaged N-S equations and RNG k-e turbulence model, a centrifugal pump was simulated with three variable styles of the wear-rings: Only the clearance of the front wear-ring was changed, only the clearance of the back wear-ring was changed and both were changed. Numerical results agree well with the experimental results. In the three changing styles of the clearance, the variable of the clearance of front wear-ring has the most influence on the performance of centrifugal pump. The existence of wear-ring not only has an effect on the volumetric loss of the centrifugal pump, but also on the performance of the centrifugal pump. Relative to the experimental studies, numerical simulation methods have some advantages, such as low cost, fast and efficient, and easy to get the detailed structure of the internal flow characteristics, so it has been widely used in the fluid machinery study. In order to study the effect of wear-ring clearance on the performance of centrifugal pump, based on the Reynolds Time-Averaged N-S equations and RNG k-e turbulence model, a centrifugal pump was simulated with three variable styles of the wear-rings: Only the clearance of the front wear-ring was changed, only the clearance of the back wear-ring was changed and both were changed. Numerical results agree well with the experimental results. In the three changing styles of the clearance, the variable of the clearance of front wear-ring has the most influence on the performance of centrifugal pump.
KOMPOS: Connecting Causal Knots in Large Nonlinear Time Series with Non-Parametric Regression Splines

Recovering causality from copious time series data beyond mere correlations has been an important contributing factor in numerous scientific fields. Most existing works assume linearity in the data that may not comply with many real-world scenarios. Moreover, it is usually not sufficient to solely infer the causal relationships. Identifying the correct time delay of cause-effect is extremely vital for further insight and effective policies in inter-disciplinary domains. To bridge this gap, we propose KOMPOS, a novel algorithmic framework that combines a powerful concept from causal discovery of additive noise models with graphical ones. We primarily build our structural causal model from multivariate adaptive regression splines with inherent additive local nonlinearities, which render the underlying causal structure more easily identifiable. In contrast to other methods, our approach is not restricted to Gaussian or non-Gaussian noise due to the non-parametric attribute of the regression method. We conduct extensive experiments on both synthetic and real-world datasets, demonstrating the superiority of the proposed algorithm over existing causal discovery methods, especially for the challenging cases of autocorrelated and non-stationary time series.
Arquitetura de software de domínio específico para apoio ao gerenciamento ágil de projetos distribuídos

MARTINS, G. D. Domain-specific software architecture to support distributed agile project management. M. Sc. (Dissertation) – Escola de Engenharia de São Carlos, Universidade de São Paulo, São Carlos, 2011. The Agile Project Management (APM) approach was rapidly disseminated, especially in the case of innovative products. The contribution of this approach is to propose methods to simplify and provide flexibility in work processes with considerable amount of change throughout the project. The strategy is use visual management with white panels and stick notes, however, there are several concerns of using these panels. Moreover it is observed the popularization of new technologies for human computer interaction like the touchscreen panels. The main objective of this project is to propose a new Domain-Specific Software Architecture for building distributed project management systems considering iterative and visual planning of agile project management and according to the paradigm of digital signage while the project data is sent to the traditional Integrated Systems Project Management. This research combines various procedures to its development in six phases: two phases for bibliographical research, one phase for study the technologies, another two phases for the development of architecture and prototype, and finally one phase for build an application and test its workability. The prototype was developed using Adobe Flex technologies, PHP and project management software (PMS) dotProject to test the technical feasibility of the proposal. The results show that the proposed architecture is feasible and can bring a number of advantages over the use of traditional software and software aimed at the APM. Palavras-chave: project management; software; software architecture; visual panels.
System identification of ER fluid dampers using a nonlinear mechanisms-based model

Electrorheological (ER) fluid behavior has two predominant rheological characteristics. ER fluids behave like viscoelastic materials in the pre-yield region and like viscous fluids in the post-yield region. The transition between the two regions is a strong function of the electric field, strain amplitude and the frequency of excitation. A phenomenological model is introduced that combines these two dominant characteristics to describe the behavior of ER fluid dampers. Linear shear flow mechanisms in the form of mechanical analogs are chosen for each characteristic region and are combined using nonlinear weighting functions. The process of design and fabrication of an ER fluid moving electrode damper is outlined and the testing methodology discussed. Experimental data obtained from the damper is used to determine the model parameters via a system identification technique. The parameters obtained from the system identification procedure show an increasing trend as the electric field is increased. The hysteresis loops are reconstructed using the identified parameters and the results show that the model is capable of accurately capturing the linear and nonlinear behavior of ER fluid dampers.
“He Sees Me as His Possession and Thinks He Can Do What He Wants.” Dependent Stay and Partner Violence among Moroccan Marriage Migrant Women in the Netherlands

ABSTRACT Partner violence, including physical, psychological, and sexual violence, is a problem in the Netherlands, just as it is all over the world. A special category of women who are affected by these forms of violence are marriage migrants; a group that is particularly vulnerable in the first five years after migration to the Netherlands because of their dependence on their partner for residence rights. This article, based on qualitative research among Moroccan women in the Netherlands, examines the position of this group of women and analyses the role that dependent residence plays in partner violence. In the Netherlands, a process of “culturalization of male-female relationships” is going on, for migrant couples, especially for Muslims. Male-female relations and violence against women are explained by reference to Islam or cultural concepts such as “group culture”, “honour and shame”. In this article we argue how legal regulations in the surrounding society play an important role.
Studying the relationship among components of knowledge management and Corporate Entrepreneurship

Purpose of conducting this survey is to study the relationship among components of knowledge management (creation of knowledge, Transfer of knowledge, storage and archiving of knowledge) and Corporate Entrepreneurship. This survey was conducted using descriptive-field methodology. Statistical population included managers and experts of Hexa Consulting Engineers Company (Tehran/Iran) and the sample consisted of forty seven of them. Questionnaire was tool of data collection. Data was collected in crosssectional form in July-August 2011. Descriptive and inferential (spearman correlation) statistics methods were used for data analysis. According to results, there is a positive significant relationship among all components of knowledge management and Corporate Entrepreneurship. Creation of knowledge has the highest correlation with Corporate Entrepreneurship.
Mental Well-Being during COVID-19: A Cross-Sectional Study of Fly-In Fly-Out Workers in the Mining Industry in Australia

Coronavirus disease 2019 (COVID-19) has devastated the world, and its mental health impact has been recognized in the general population. However, little is known about the mental health impact of COVID-19 on fly-in fly-out (FIFO) workers, who are flown to temporarily stay and work in remote areas, during this pandemic. This study examined the mental well-being of FIFO workers in the mining industry during COVID-19 restrictions in Western Australia. An online survey was conducted between May to November 2020 among (N = 842) FIFO workers who underwent COVID-19 screening at a large mining company in Western Australia. The mental well-being score among workers was higher than population norms. One-way ANOVA with Bonferroni post-hoc tests showed significant differences in mental well-being by age, being placed under travel quarantine, undertaking self-isolation, impact of social distance guidelines, and experience of COVID-19 related symptoms. Multiple linear regression analysis showed workers who were younger, placed under travel quarantine and experienced two or more COVID-19 related symptoms were more likely to have worse mental well-being. Acknowledging the negative emotions and distress experiences among the vulnerable groups could help in providing suitable support to help lessen these negative experiences in FIFO workers.
Effect of Forward/Backward Standing Posture on Foot Shape

Foot length and breadth are generally used to determine the correct shoe size. An important question is whether foot length and foot breadth are dependent upon body posture. Therefore, the effect of leaning forward/backward on foot length and breadth is investigated in this study. Seven subjects participated in the experiment in three standing postures; neutral (N), leaning forward (F) en leaning backward (B). The foot pressure was determined and the feet were scanned using a 3D-whole body scanner. Foot length and foot breadth were determined from the scans of the right foot. The centre of gravity (COG) was calculated from the pressure distribution and showed that the COG moved 11 cm forward in posture F and 8 cm backward in posture B. No difference existed between foot length and breadth between the three postures. Thus, it does seem important to standardize the standing posture to determine foot length and breadth reliably. The 3D scans showed some differences in foot shape, however. In position F the forefoot was rotated inwards as compared to B.
Novel analytical solution to fundamental ferroresonance - part II: criterion and elimination

For ferroresonant circuits, the sufficient condition for preventing fundamental ferroresonance (FF) from occuring is that there is no intersection between the voltage-current characteristic of the linear part of the circuit, and the saturated power frequency excitation characteristic of the nonlinear part. Based on this understanding, part II of this paper has presented a criterion for the possibility of FF in the form of an analytical expression which is composed of the essential parameters of the circuit. By giving the critical resistance value for damping FF, the expression clearly indicates not only the possibility of FF but also the methods for eliminating the FF. The possibility of FF is judged by comparing the critical resistance value with the real value. In the meantime, the expression suggests how to adjust the essential parameters to suppress FF. The criterion has been proven by both simulation results and field tests. With this criterion, the possibility and elimination of FF can be studied for the first time by a simple yet effective analytical method.