Miracle-dz/UniFAR-FTUs huggingface dataset:
Unraveling the role of protein dynamics in dihydrofolate reductase catalysis

Significance The role of protein dynamics in enzyme catalysis remains a topic of considerable debate. Here, we use a combination of experimental and computational methods to identify the origins of the observed changes in reactivity on isotopic substitution of dihydrofolate reductase from Escherichia coli. Isotopic substitution causes differences in environmental coupling to the hydride transfer step and protein dynamics have therefore a small but measurable effect on the chemical reaction rate. Protein dynamics have controversially been proposed to be at the heart of enzyme catalysis, but identification and analysis of dynamical effects in enzyme-catalyzed reactions have proved very challenging. Here, we tackle this question by comparing an enzyme with its heavy (15N, 13C, 2H substituted) counterpart, providing a subtle probe of dynamics. The crucial hydride transfer step of the reaction (the chemical step) occurs more slowly in the heavy enzyme. A combination of experimental results, quantum mechanics/molecular mechanics simulations, and theoretical analyses identify the origins of the observed differences in reactivity. The generally slightly slower reaction in the heavy enzyme reflects differences in environmental coupling to the hydride transfer step. Importantly, the barrier and contribution of quantum tunneling are not affected, indicating no significant role for “promoting motions” in driving tunneling or modulating the barrier. The chemical step is slower in the heavy enzyme because protein motions coupled to the reaction coordinate are slower. The fact that the heavy enzyme is only slightly less active than its light counterpart shows that protein dynamics have a small, but measurable, effect on the chemical reaction rate.
On the potential of TanDEM-X for the retrieval of agriculture crop parameters by single-pass PolInSAR

This work will present a study about the capabilities of PolIn-SAR for agriculture applications with TanDEM-X data, since this sensor will acquire for the first time single-pass PolIn-SAR data from space. The use of single-pass acquisitions is mandatory for such application due to the rapid growth of crops. In addition, X-band provides a good trade-off between the backscattering levels from ground and vegetation volume, as already demonstrated in polarimetric studies with TerraSAR-X imagery. Unfortunately, at the time of compiling this paper there are not TanDEM-X data available yet, since the first acquisitions are planned for June 2011. Therefore, the first results will be presented at the conference.
Data analytics in medical data : A review

The knowledge discovery in database (KDD) is alarmed by the advancement of strategies and systems for making the utilization of data. A standout amongst the most vital stride of the KDD is the data analytics. Data analytics is one of the extensively researched areas inferable from the wide impact showed by this computational strategy on differing fields, such as, Artificial Intelligence (AI), databases, statistics, and visualization. It has unlimited applications and ways to deal with analytics the data in suitable ways. Both the data analytics and medicine have raised some of dependable early discovery frameworks and different medical services related frameworks from the medical data. Medical data analytics is a dynamic interdisciplinary area of research that is viewed as the result of applying artificial intelligence and data analytics concepts to the field of clinical and medical services. We have reviewed the different papers intricate in this field in terms of technique, algorithms and results. The aim of this research work is to give a review on the foundation benchmarks in analytics of infertility, and present the findings and results of past researches on utilizing data analytics procedures to analyze electronic health records.
Fracture of the patella after the anterior cruciate ligament reconstruction.

INTRODUCTION Fracture of the patella, after harvesting the central third of the patellar tendon for a bone-tendon-bone autograft, is a rare complication. MATERIAL AND METHODS We made 1714 reconstructions of the anterior cruciate ligament of the knee using bone-patellar tendon-bone technique, and 7 patients had fracture of the patella (0.42%). The fracture was immediately recognized in the patients with vertical non-displaced patellar fracture and the broken screw osteosynthesis was carried out without changes in the rehabilitation period. One patient was treated non-operatively and patellar fracture in four patients was treated with operative reduction and osteosynthesis. RESULTS The patients were invited for the check-up 5 years (2-8 years) after surgery on average. The mean Lysholm score was 92 (85-100). All of them continued to engage in sporting activities at the same or greater level after 9 months on average (6-12 months). In all patients the Lachman test was with the firm stop compared to the other leg. X-ray changes in the patella were found in 2 patients who had multifragmentary fractures. DISCUSSION AND CONCLUSION The fracture of patella can be prevented by avoiding to take too much bone graft, by using the most precise tools for cutting, while rehabilitation must be carefully planned. The optimal treatment of the fracture of the patella after the reconstruction of the anterior cruciate ligament is a firm osteosynthesis, which allows healing of the bone and continuation of the rehabilitation program.
Type D personality, physical symptoms and subjective stress: The mediating effects of coping and social support

Coping style and social support may represent mechanisms to explain the relationship between Type D personality and ill-health. This study investigated whether Type D is associated with physical symptoms and perceived stress in a non-cardiac population, and if these relationships are mediated by coping and social support. In a cross-sectional study, 304 participants (110 males, mean age 22.1 years) completed measures of Type D, physical symptoms, coping, perceived stress and social support. Results showed that Type D, the interaction of negative affectivity and social inhibition (NA × SI), was positively correlated with physical symptoms, perceived stress, and avoidant coping, and negatively correlated with social support, problem-focused coping and emotion-focused coping. A series of bootstrapped multiple mediator tests showed that social support and avoidant coping fully mediated the relationship between Type D and physical symptoms. Furthermore, social support and emotion-focused coping partially mediated the relationship between Type D and perceived stress. These findings demonstrate for the first time that Type D personality is associated with physical symptoms in a non-cardiac population. Social support and coping style represent mechanisms that can, in part, explain the relationship between Type D and physical symptoms, and Type D and perceived stress.
The 3-dimensional structure of a hepatitis C virus p7 ion channel by electron microscopy

Infection with the hepatitis C virus (HCV) has a huge impact on global health putting more than 170 million people at risk of developing severe liver disease. The HCV encoded p7 ion channel is essential for the production of infectious viruses. Despite a growing body of functional data, little is known about the 3-dimensional (3D) structure of the channel. Here, we present the 3D structure of a full-length viroporin, the detergent-solubilized hexameric 42 kDa form of the HCV p7 ion channel, as determined by single-particle electron microscopy using the random conical tilting approach. The reconstruction of such a small protein complex was made possible by a combination of high-contrast staining, the symmetry, and the distinct structural features of the channel. The orientation of the p7 monomers within the density was established using immunolabeling with N and C termini specific Fab fragments. The density map at a resolution of ≈16 Å reveals a flower-shaped protein architecture with protruding petals oriented toward the ER lumen. This broadest part of the channel presents a comparatively large surface area providing potential interaction sites for cellular and virally encoded ER resident proteins.
Contribution of 5‐HT2A receptor gene ‐1438A>G polymorphism to outcome of attention‐deficit/hyperactivity disorder in adolescents

Attention‐deficit/hyperactivity disorder (ADHD) typically emerges before 7 years of age and may persist into adolescence or adulthood. The adolescent outcome can be classified into four types, including non‐remission, syndromatic remission, symptomatic remission, and functional remission. Genetic factors are believed to contribute to symptom stability and change across development, so adolescent outcome may be a sub‐phenotype for molecular genetic studies of ADHD. Serotonin system genes are prime candidates for this sub‐phenotype, since the development of this neurotransmitter system parallels the course of ADHD. The current study examined the association between adolescent outcome in ADHD and serotonin system genes, including the ‐1438A>G polymorphism of the serotonin 2A receptor gene (HTR2A) and the ‐759C>T polymorphism of the serotonin 2C receptor gene (HTR2C). The ‐1438A>G polymorphism was found to be related to remission in ADHD, especially functional remission (P = 0.029). Due to potential phenotypic and etiologic heterogeneity in ADHD, the results of this study must be replicated in additional samples before they can be generalized to other populations. © 2006 Wiley‐Liss, Inc.
Outcomes among Mothers Who Gave Birth in the Health Facility: Does Birth Preparedness and Complication Readiness Have a Role?

Background Giving childbirth is a natural reward for human beings to replace themselves to exist in the world. Despite all the efforts made to improve maternal health, maternal morbidity and mortality continue during childbirth. Hence, this study aimed to determine the proportion of maternal birth outcomes and identify their predictors among mothers who gave birth in hospitals. Method A hospital-based cross-sectional study was conducted from April 9 to June 7, 2016, among 384 postnatal mothers in Debre Tabor Hospital. Randomly selected mothers were interviewed by trained data collectors. Data were checked for completeness, entered using Epi Info version 7, and analyzed using STATA 14 software. A multivariate logistic regression model was used to control confounders and identify predictors of maternal birth outcomes. Statistical significance was declared by adjusted odds ratio with a 95% confidence interval and a p value ≤0.05. Result About 77% (95% CI: 72.9, 81.3) of the mothers had good maternal birth outcomes. Antenatal care utilization (AOR: 2.60; 95% CI: 1.16, 5.83); BPCR practice (AOR: 2.10; 95% CI: 1.12, 3.96); self-preference of health institution (AOR: 2.34; 95% CI: 1.11, 4.50); and mode of delivery: caesarean (AOR: 0.46; 95% CI: 0.23, 0.87), assisted breech (AOR: 0.17; 95% CI: 0.04, 0.69), and instrumental (AOR: 0.27; 95% CI: 0.09, 0.79) were associated with good maternal birth outcome. Conclusion In this study, the maternal birth outcome among postnatal mothers was good in more than three-fourth of the cases. Hence, encouraging mothers to utilize health-care services and counseling and supporting them on BPCR practice are recommended.
Myosin V spatially regulates microtubule dynamics and promotes the ubiquitin-dependent degradation of the fission yeast CLIP-170 homologue, Tip1

Coordination between microtubule and actin cytoskeletons plays a crucial role during the establishment of cell polarity. In fission yeast, the microtubule cytoskeleton regulates the distribution of actin assembly at the new growing end during the monopolar-to-bipolar growth transition. Here, we describe a novel mechanism in which a myosin V modulates the spatial coordination of proteolysis and microtubule dynamics. In cells lacking a functional copy of the class V myosin, Myo52, the plus ends of microtubules fail to undergo catastrophe on contacting the cell end and continue to grow, curling around the end of the cell. We show that this actin-associated motor regulates the efficient ubiquitin-dependent proteolysis of the Schizosaccharomyces pombe CLIP-170 homologue, Tip1. Myo52 facilitates microtubule catastrophe by enhancing Tip1 removal from the plus end of growing microtubules at the cell tips. There, Myo52 and the ubiquitin receptor, Dph1, work in concert to target Tip1 for degradation.
Characteristics of women using a mental health clinic in a gynecologic out‐patient setting

Abstract A special mental health clinic was set up in the gynecologic out‐patient setting of a medical center. The present study examined the demographic and clinical characteristics of patients seen at the clinic and evaluated the need for mental health services in a gynecologic setting. Participants were 136 consecutive patients who visited the clinic during a 6 month period. Their ages ranged from 20 to 74 years, with a mean age of 41.5 ± 12.3 years. Twenty‐three percent of women were referred by gynecologists. All subjects were interviewed by experienced psychiatrists using the structured Mini‐International Neuropsychiatric Interview (MINI), supplemented by the DSM‐IV criteria for premenstrual dysphoric disorder (PMDD) and other diagnoses. The most common diagnosis was major depressive disorder (36.0%), followed by generalized anxiety disorder (29.4%), PMDD (16.2%), dysthymic disorder (14.7%) and others. Patients were categorized into four major diagnostic categories: depressive disorders, anxiety disorders, PMDD and others. No significant differences were found in years of education, employment status, living situations or referral pattern among the four major diagnostic groups. Most patients with anxiety disorders were married. Our results suggest that the gynecologic department may be a good setting to help women with mental disorders.
Intellectual Functioning of Inpatients with Dissociative Identity Disorder and Dissociative Disorder Not Otherwise Specified: Cognitive and Neuropsychological Aspects

The intellectual functioning of 105 inpatients with multiple personality disorder and dissociative disorder not otherwise specified was assessed using the Wechsler Adult Intelligence Scale-Revised as part of a comprehensive research protocol. There were no significant intellectual differences between the groups on any major intelligence quotient summary score or any of the age-adjusted empirical factor scores. The anecdotal but widely accepted hypotheses that dissociative patients either have above average premorbid intelligence or that their current intellectual functioning is deleteriously affected by their fluctuant psychiatric disorder were not supported in this sample. A significant subsample of the multiple personality disorder group manifested abnormal intertest scatter on the Wechsler Adult Intelligence Scale-Revised verbal subtests, and this variability was attributed to subtle neuropsychological deficits on the Memory/Distractibility factor. We speculate that dissociative patients might need to be evaluated for attention deficit disorder in addition to the range of dissociative symptoms in a comprehensive evaluation.
Should Central Banks Care about Investment?

We ask how including endogenous capital formation into a New-Keynesian model affects optimal monetary policy. We find that the response of Ramsey optimal policy to a persistent cost-pushing shock is unconventional: In response to the shock, the central bank persistently reduces the nominal interest rate below its steady state. We find that this is due to a decrease in the natural interest rate and does not reflect a desire to choose a systematically different point on the policy frontier. However, the central bank’s tradeoff is affected in the sense that inflation stabilization can become more costly: When analyzing optimal simple rules, we find that these can imply welfare losses which substantially exceed those of Ramsey optimal policy. The reason is that active interest rate policy magnifies output fluctuations by destabilizing the capital stock. When introducing adjustment cost, our results return to standard: First, Ramsey optimal policy increases the interest rate as a response to a cost-pushing shock. Second, active policy becomes more successful in mimicking the allocation a Ramsey planner would choose.
Prebiotics as Gut Microflora Management Tools

Functional foods is an often-used term applied to dietary ingredients that serve to improve consumer health. Over the last few decades, these foods have gained in popularity with sales continuing to increase rapidly. Recent scientific, and some lay, reports have shown the popularity of both probiotics and prebiotics. These serve to elicit changes in the gut microbiota composition that increase populations of purported beneficial gut bacterial genera, for example, lactobacilli or bifidobacteria. Probiotics use live microbial feed additions, whereas prebiotics target indigenous flora components. As gastrointestinal disorders are prevalent in terms of human health, both probiotics and prebiotics serve an important role in the prophylactic management of various acute and chronic gut derived conditions. Examples include protection from gastroenteritis and some inflammatory conditions.
Respite for Dementia Caregivers: The Effects of Adult Day Service Use on Caregiving Hours and Care Demands

The objective of this study was to determine whether adult day service use was related to decreases in primary caregiving hours (i.e., the time caregivers spent on activities of daily living/instrumental activities of daily living and behavior problems for care recipients) and care recipient function for these domains. Three-month longitudinal data from the Adult Day Care Collaborative Study (N = 400) were used. Adult day service users reported greater decreases in hours spent on behavior problems when compared to nonusers, even after controlling for baseline differences between the two groups. In addition, adult day service users reported decreased frequency of behavior problems in their relatives who attended adult day programs. The findings suggest that adult day services, if used over time, are effective in restructuring caregiving time and may offer potential benefits not only to family caregivers but to community-residing older adults who have dementia as well.
Straight-line Assimilation in Leaving Home? A Comparison of Turks, Somalis and Danes

The purpose of this paper is to test the evidence for spatial assimilation and straight-line assimilation in the transition of leaving home in Denmark. Based on data from the extensive Danish registers, the paper analyses the home-leaving patterns of Danes, Turkish immigrants, Turkish descendants and Somali immigrants. Two main findings emerged. First, while spatial segregation patterns of home-leavers were clear, inter-generational mobility did take place, supporting the notion of straight-line assimilation. Second, inter-generational effects were identified. While there was no indication that parental socio-economic situation affected the spatial segregation of home-leavers, substantial effects were found for the share of ethnic minorities in the parental neighbourhood: the higher the share of ethnic minorities, the higher the hazard for moving to an ethnic neighbourhood and the lower the hazard for moving to a non-ethnic neighbourhood. Similarity in the patterns of natives and the ethnic minority groups indicates that the processes taking place might be about more than assimilation between generations.
The Leontief System

Numerous and varied claims concerning the usefulness of Leontief matrices in both government and business may be heard today from many sources. Unquestionably, many of the advocates of this procedure fail to understand completely the Leontief system. This fault stems from two causes. These are (a) that the system is traditionally expounded in the relatively complicated notation of matrix algebra and (b) that the mathematics of the system has sometimes been allowed to mask the economics. It is the purpose of this paper to rectify in some small amount these evils. Toward that end matrix algebra has been studiously avoided,' and economic interpretation has been provided for equations and operations wherever possible. The only mathematics required for the comprehension of the Leontief system as here presented is elementary algebra. The first model taken up is the closed model. The purpose of this is to acquaint the reader with Leontief's notation and concepts before moving on to more practical models. The second class of model considered is the so-called open model. This is the type of model currently being suggested for prediction and policy making. With the open model it is theoretically possible to estimate the allocation of raw materials needed to produce a national product of given composition. Such a model might also be used to discover the impact of a planned government investment in a specific region. By a certain modification of the model it would be possible to find the over-all effect of changes in investment on employment in each industry. A model which is reputed to have these uses certainly merits study. Finally, the paper concludes with a section describing the types of error which arise in using this tool. It will be seen that the magnitude of these errors is such that the Leontief system cannot do all that its most ardent admirers suggest.
Longitudinal analysis of cognitive performances and structural brain changes in late‐life bipolar disorder

Cross‐sectional studies in bipolar disorder (BD) suggested the presence of cognitive deficits and subtle magnetic resonance imaging (MRI) changes in limbic areas that may persist at euthymic stages. Whether or not cognitive and MRI changes represent stable attributes of BD or evolve with time is still matter of debate. To address this issue, we performed a 2‐year longitudinal study including detailed neuropsychological and magnetic resonance imaging (MRI) analyses of 15 euthymic older BD patients and 15 controls.