Miracle-dz/UniFAR-FTUs huggingface dataset:
A tertiary structure protein model for the ab-initio interpretation of small angle X-ray scattering data

Biological small angle X-ray scattering (SAXS) has become an important tool to investigate the structure of proteins in solution. In this paper we present a novel ab-initio method to represent polypeptide chains as discrete curves that can be used to derive a meaningful three-dimensional model from only secondary structure annotation and experimental SAXS data. High resolution crystal structures were used to generate probability density functions for each of the common secondary structural elements found in proteins. These are used to place realistic restraints on the model curve’s geometry. To evaluate the quality of potential models and demonstrate the efficacy of this novel technique we developed a new statistic to compare the entangled geometry of two open curves, based on mathematical techniques from knot theory. The chain model is coupled with an explicit hydration shell model in order derive physically meaningful 3D models by optimizing configurations against experimental SAXS data using a monte-caro based algorithm. We show that the combination of our ab-initio method with spatial restraints based on contact predictions successfully derives a biologically plausible model of the coiled–coil component of the human synaptonemal complex central element protein.
Prevalence of Metabolic Syndrome according to the New Criteria for Obesity

Background: The prevalence of obesity is known to be lower in Asian population than that in Europe. But, the health risks associated with obesity occur at a lower body mass index (BMI) in Asian. The aim of this study was to assess the prevalence of the metabolic syndrome and its components in Korean adult population according to the new criteria for obesity proposed in Asia-Pacific Perspective. Methods: From individuls, who participated in medical check-up of Korean Association of Health (KAH), 1,230 individuals were included in the analysis. In patients with type 2 diabetes (n=131), subjects with impaired fasting glucose (IFG) (n=84), or individuals who have insulin-resistance but show normal fasting glucose (NFG) (n=1015), the metabolic syndrome was defined as presence of at least two of the following components; hypertension, dyslipidemia, and obesity. Results: Metabolic syndrome was present in 19% of men and 16% of women. In detail, about 10% in NFG, 50% in IFG, and 70% of patients with type 2 diabetes fulfilled the criteria of metabolic syndrome. In comparison with the lowest tertile of waist circumference and BMI, the prevalence of the metabolic syndrome increased about 13 fold in subjects with the highest tertile. Using a multiple regression analysis, HOMA-IR was associated with an increased risk for the metabolic syndrome (RR=2.23, p=0.001).
Are All Tourists Alike, Regardless of Nationality?: The Perceptions of Dutch Tour-Guides

Abstract Do all tourists, regardless of nationality, exhibit the same behavioral characteristics on identical tours? To answer this question, 63 Dutch tour-guides were administered a questionnaire soliciting their opinions on 20 behavioral characteristics of Japanese, French, Italian and American tourists on guided tours in the Netherlands. The results indicated that in 18 out of the 20 behavioral characteristics, there was a significant perceived difference between the four nationalities. In general, the Americans were perceived to be the most distinct and the Italians the most similar to other nationalities. A pair-comparison found that the tour-guides perceived the Italians-Americans to be the most similar to each other in their behavior, followed by French-Italians, Japanese-French, Japanese-Italians, Japanese-Americans and culminating with French-Americans who were perceived to be the most dissimilar. The behavioral characteristic on which the greatest differences by nationality turned up, was “socia.
Primary angioplasty versus intravenous thrombolytic therapy for acute myocardial infarction : a quantitative review of 23 randomised trials

Background Many trials have been done to compare primary percutaneous transluminal coronary angioplasty (PTCA) with thrombolytic therapy for acute ST-segment elevation myocardial infarction (AMI). Our aim was to look at the combined results of these trials and to ascertain which reperfusion therapy is most effective.
ESMA Working Paper

This paper analyses the impact of the Double Volume Cap (DVC) mechanism on European equity markets since it was introduced in March 2018. The DVC mechanism introduces limits to the amount of transactions executed under reference price and negotiated trade waivers in equity markets. For equities where DVC restrictions were applied from March 2018 onwards and for which the restriction ended in September 2018, the amount of trading on dark pools dropped from more than 7% in January 2018 to less than 1% of the total in August 2018, while the share of trading in frequent batch auctions increased over the same period from below 1% to 4% of the total. However, as the restriction on dark trading for some of these equities was lifted in September 2018, the volume of dark pool trading for these shares increased to more than 5% and the volume in frequent batch auctions declined to 2.5%. We also analyse the impact of the DVC mechanism on market liquidity in lit markets, building on a set of market liquidity indicators. The results point to an overall positive impact of the DVC measure on market liquidity in the continuous trading and auction markets (lit markets). For equities where DVC restrictions were applied from March 2018, the econometric analysis shows that market liquidity in lit markets generally improved in terms of breadth, tightness and depth. Consistently with the scope of the DVC mechanism, the turnover in continuous trading and auctions markets of the ISINs banned by the DVC mechanism is estimated to have increased significantly by about 10% following the ban compared to non-banned ISINs. Results hold when different econometric techniques are employed.
The Role of Job Changes in Sustainable Return to Work for Breast Cancer Survivors – Patterns of Interpretation and Coping Strategies

Purpose Considering that breast cancer survivors (BCSs) have been dealing with unwanted job changes after diagnosis, this study aimed to investigate involuntary job changes (unwanted modifications in employment since diagnosis) and explore the association between job changes, involuntariness, and occupational development satisfaction in BCSs 5–6 years after diagnosis. Methods Data were drawn from the mixed-methods breast cancer patients’ return to work (B-CARE) study. We surveyed 184 female BCSs who were working at the time of study enrollment during hospitalization (T1), 10 weeks after discharge (T2), 40 weeks after discharge (T3), and 5–6 years after diagnosis (T4) and used descriptive measures and stepwise linear regression models for data analysis. Results The mean age of BCSs was 57 years. A total of 105 participants reported 410 job changes, of which 16.1% were reportedly (rather) involuntary. The most commonly reported involuntary changes were increased workload (15.2%) and increased scope of work (15.2%). In the final model, significant predictors of satisfaction with occupational development 5–6 years after diagnosis were age, state of health ΔT2–T3, state of health ΔT3–T4, and involuntariness of job changes. Conclusions Although the number of job changes alone is not substantially associated with BCSs’ satisfaction with occupational development, experiencing involuntary job changes is. Sociodemographic, disease-related, and work(place)-related factors may influence occupational satisfaction among BCSs. Implications for Cancer Survivors The findings indicate the importance of strengthening one’s ability to work as desired to prevent involuntary job changes and enable desired work participation in long-term support. The significance of workplace characteristics highlights the need for employers to encourage satisfying work participation. Trial registration number German Clinical Trials Register (DRKS00016982), 12 April 2019
Cognitive behavioral therapy in pharmacoresistant obsessive–compulsive disorder

Background: The aim of the study was to determine whether patients with obsessive–compulsive disorder (OCD) resistant to drug therapy may improve their condition using intensive, systematic cognitive behavioral therapy (CBT) lasting for 6 weeks, and whether it is possible to predict the therapeutic effect using demographic, clinical, and selected psychological characteristics at baseline. Methods: Sixty-six OCD patients were included in the study, of which 57 completed the program. The diagnosis was confirmed using the structured Mini International Neuropsychiatric Interview. Patients were rated using the objective and subjective forms of the Yale–Brown Obsessive Compulsive Scale, objective and subjective forms of the Clinical Global Impression, Beck Anxiety Inventory, Beck Depression Inventory, Dissociative Experiences Scale, 20-item Somatoform Dissociation Questionnaire, and the Sheehan Disability Scale before their treatment, and with subjective Yale–Brown Obsessive Compulsive Scale, objective and subjective Clinical Global Impression, Beck Anxiety Inventory, and Beck Depression Inventory at the end of the treatment. Patients were treated with antidepressants and daily intensive group CBT for the 6-week period. Results: During the 6-week intensive CBT program in combination with pharmacotherapy, there was a significant improvement in patients suffering from OCD resistant to drug treatment. There were statistically significantly decrease in the scores assessing the severity of OCD symptoms, anxiety, and depressive feelings. A lower treatment effect was achieved specifically in patients who 1) showed fewer OCD themes in symptomatology, 2) showed a higher level of somatoform dissociation, 3) had poor insight, and 4) had a higher initial level of overall severity of the disorder. Remission of the disorder was more likely in patients who had 1) good insight, 2) a lower initial level of anxiety, and 3) no comorbid depressive disorder.
Slow viscous flow of two porous spherical particles translating along the axis of a cylinder

We describe the motion of two freely moving porous spherical particles located along the axis of a cylindrical tube with background Poiseuille flow at low Reynolds number. The stream function and a framework based on cylindrical harmonics are adopted to solve the flow field around the particles and the flow within the tube, respectively. The two solutions are employed in an iterated framework using the method of reflections. We first consider the case of two identical particles, followed by two particles with different dimensions. In both cases, the drag force coefficients of the particles are solved as functions of the separation distance between the particles and the permeability of the particles. The detailed flow field in the vicinity of the two particles is investigated by plotting the streamlines and velocity contours. We find that the particle–particle interaction is dependent on the separation distance, particle sizes and permeability of the particles. Our analysis reveals that when the permeability of the particles is large, the streamlines are more parallel and the particle–particle interaction has less effect on the particle motion. We further show that a smaller permeability and bigger particle size generally tend to squeeze the streamlines and velocity contour towards the wall.
Revisiting the Determinants of Bilateral Trade Flows with evidence from Tanzania: A Gravity Model Analysis

International trade is regarded as a powerful engine and enabler of the global economy as well as an important tool for economic development. This has led countries to implement export – led economic growth strategies through bilateral and multilateral trade relations. Tanzania as one of the countries in this stance has established bilateral trade relations with her trading partners. However, to date there are scant and mixed results on what determines bilateral trade flows. This paper aimed at examining the determinants of bilateral trade between Tanzania and its major trading partners. Panel data spanning from 1996 – 2019 covering 7 countries was used. Gravity model was used as a tool of analysis and was estimated using a random effect model. Results show that GDP exhibits both a U-shaped and an inverted U-shaped relationship with trade flows as opposed to existing literature. Population size, quality of institutions, and common language positively and significantly affects trade flows while membership to the East African Community and landlocked country reduces the volume of trade flow. The results imply that to improve bilateral trade between Tanzania and its trading partners, investments that boost GDP, quality and strong institutions, the use of common language and a well-developed infrastructure are vital.
Revista Española De Cirugía Ortopédica Y Traumatología Caudal Epidural Steroid Injection in the Treatment of Chronic Discogenic Low Back Pain. Comparative, Prospective and Randomized Study

Objective: There is no consensus on the treatment of chronic low back pain of disk origin in the medical literature. The few prospective, randomized, controlled studies evaluating the effectiveness of caudal epidural steroid injections (CESI) have obtained contradictory results. The aim of this study is to evaluate the efficacy of CEI in reducing pain and improving the associated disability. Material and method: This is a prospective, randomized, case-control study of a group of 46 patients with chronic low back disk pain. Patients were randomly allocated into 2 groups to either receive fluoroscopy guided CESI (CESI-group), or oral non-steroidal anti-inflammatory drugs (NSAID-group). All patients were clinically evaluated at 4, 12, and 24 weeks, and according to the indications of the Spanish Society for Study of Diseases of the Spine (GEER). Results: Lumbar pain, measured by the visual analog scale (VAS) and the Oswestry Low Back Pain Disability Questionnaire (ODQ), did not improve significantly during follow-up in any of the two study groups (p > 0.05). Younger patients, women, patients with shorter duration of symptoms, low physical job demand, without leg pain, and sport-active, included in CESI-group showed a trend toward better results, but none reached statistical significance (p > 0.05). Conclusions: The present study has not demonstrated the superiority of CESI over NSAIDs in treating chronic low back pain of disk origin. While CESI could show some improvement in patients with degenerative lumbar disk disease, we consider it should be used with caution, informing patients about realistic expectations on the success of treatment. que debiera ser empleado con cautela, informando al paciente de las expectativas reales del tratamiento.
Airborne Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) in Hospitals: Effects of Aerosol-Generating Procedures, HEPA-Filtration Units, Patient Viral Load, and Physical Distance

Background. Transmission of coronavirus disease 2019 (COVID-19) can occur through inhalation of fine droplets or aerosols containing infectious virus. The objective of this study was to identify situations, patient characteristics, environmental parameters, and aerosol-generating procedures (AGPs) associated with airborne severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus. Methods. Air samples were collected near hospitalized COVID-19 patients and analyzed by RT-qPCR. Results were related to distance to the patient, most recent patient diagnostic PCR cycle threshold (Ct) value, room ventilation, and ongoing potential AGPs. Results. In total, 310 air samples were collected; of these, 26 (8%) were positive for SARS-CoV-2. Of the 231 samples from patient rooms, 22 (10%) were positive for SARS-CoV-2. Positive air samples were associated with a low patient Ct value (OR, 5.0 for Ct <25 vs >25; P = .01; 95% CI: 1.18–29.5) and a shorter physical distance to the patient (OR, 2.0 for every meter closer to the patient; P = .05; 95% CI: 1.0–3.8). A mobile HEPA-filtration unit in the room decreased the proportion of positive samples (OR, .3; P = .02; 95% CI: .12–.98). No association was observed between SARS-CoV-2–positive air samples and mechanical ventilation, high-flow nasal cannula, nebulizer treatment, or noninvasive ventilation. An association was found with positive expiratory pressure training ( P < .01) and a trend towards an association for airway manipulation, including bronchoscopies and in- and extubations. Conclusions. Our results show that major risk factors for airborne SARS-CoV-2 include short physical distance, high patient viral load, and poor room ventilation. AGPs, as traditionally defined, seem to be of secondary importance.
Isolation and Characterization of Methicillin-Resistant Staphylococcus aureus Strains from Louisiana Retail Meats

ABSTRACT We investigated the prevalence of Staphylococcus aureus and methicillin-resistant S. aureus (MRSA) in 120 retail meat samples from 30 grocery stores in Baton Rouge, LA. S. aureus strains were recovered from 45.6% of pork samples and 20% of beef samples, whereas MRSA strains were isolated from six meat samples (five pork samples and one beef sample). The MRSA isolates were of two strain types (clones), one harboring Panton-Valentine leucocidin and belonging to pulsed-field gel electrophoresis type USA300 and the other one belonging to USA100.
Psychometric evaluation of the Major Depression Inventory among young people living in Coastal Kenya [ version 1 ; referees : awaiting peer review ]

The lack of reliable, valid and adequately standardized measures of Background mental illnesses in sub-Saharan Africa is a key challenge for epidemiological studies on mental health. We evaluated the psychometric properties and feasibility of using a computerized version of the Major Depression Inventory (MDI) in an epidemiological study in rural Kenya. : We surveyed 1496 participants aged 13-24 years in Kilifi County, on the Methods Kenyan coast. The MDI was administered using a computer-assisted system, available in three languages. Internal consistency was evaluated using both Cronbach’s alpha and the Omega Coefficient. Confirmatory factor analysis was performed to evaluate the factorial structure of the MDI. : Internal consistency using both Cronbach’s Alpha (= 0.83) and the Omega Results Coefficient (0.82; 95% confidence interval 0.810.83) was above acceptable thresholds. Confirmatory factor analysis indicated a good fit of the data to a unidimensional model of MDI ( (33, = 1409) = 178.52 < 0.001, TLI = 0.947, CFI N p = 0.961, and Root Mean Square Error of Approximation, RMSEA = . 056), and this was confirmed using Item Response Models (Loevinger’s H coefficient 0.38) that proved the MDI was a unidimensional scale. Equivalence evaluation indicated invariance across sex and age groups. In our population, 3.6% of the youth presented with scores suggesting major depression using the ICD-10 scoring algorithm, and 8.7% presented with total scores indicating presence of depression (mild, moderate or severe). Females and older youth were at the highest risk of depression. : The MDI has good psychometric properties. Given its brevity, relative Conclusions ease of usage and ability to identify at-risk youth, it may be useful for epidemiological studies of depression in Africa. Studies to establish clinical thresholds for depression are recommended. The high prevalence of depressive symptoms suggests that depression may be an important public health problem in this population group. This article is included in the KEMRI | Wellcome Trust gateway. 1,2 2-4 1,2 1,2 1,2 5 5 2,3
Metagenomic Profiles of Bacterial communities and environmental factors associated 2 with proliferation of malaria vector mosquitoes within the Kenyan Coast 3

28 Background 29 Anopheles mosquitoes are the main malaria vector and as malaria cases decline in Sub Saharan 30 Africa, there is a growing realisation that new interventions need to be added to complement 31 the existing control strategies. To date, vector control is the most effective way to prevent 32 malaria. Since the malaria parasite is maintained by mosquitoes which oviposit, feed and rest 33 in the outdoor environment, there is an urgent need to focus on the control of oviposition sites 34 seeking malaria vectors. In this regard, a detailed understanding of their larval ecology is 35 necessary. In this study, the bacterial community structure and their interactions with 36 Pr ep in t Preprint DOI: Posted on April 12, 2023 https://doi.org/10.1099/acmi.0. 000606.v1 © 2023 The Authors. This is an open-access article distributed under the terms of the Creative Commons Attribution License.
Perindopril in Breast Milk and Determination of Breastfed Infant Exposure: A Prospective Observational Study

Objective: This study aimed to quantify the amount of perindopril and its active metabolite perindoprilat present in breast milk and corresponding maternal and infant plasma concentrations. Design: Prospective, longitudinal, observational. Setting: Tertiary specialist paediatric and obstetric hospital in Adelaide, South Australia. Population: Breastfeeding women actively treated with perindopril for hypertensive disorders postpartum. Methods: Eight breast milk samples and a single plasma sample were collected from each participant over a 24 hrs period, and plasma samples were taken from eligible breastfed infants. Breast milk and plasma concentrations of perindopril and perindoprilat were analysed using a validated Liquid Chromatography tandem-Mass Spectrometry (LC-MS/MS) method. Main Outcome Measures: milk concentrations of perindopril and perindoprilat, Relative Infant Dose (RID) <10%, and Theoretical Infant Dose (TID). Results: Ten women and three infants participated in the study. The mean concentration of perindopril in breast milk for each participant ranged from 0.003 to 1.2 ng/mL and perindoprilat 0.2 – 36 ng/mL. RID for perindopril was 0.0005 – 0.2% and perindoprilat 0.03 – 4.6%. TID for perindopril was 0.00045 – 0.18 µg/kg/day and perindoprilat 0.032 – 5.4 µg/kg/day. Infant plasma levels for perindopril ranged from 0.44 to 1.12 ng/mL and perindoprilat undetectable – 10.14 ng/mL. Maternal reports described normal infant growth and development. Conclusion: Infant exposure to perindopril and perindoprilat through breast milk is low. However, some infants were found to have plasma perindoprilat concentrations consistent with pharmacodynamic effects. Perindopril may be used in mothers of healthy term infants, provided the infant is carefully monitored.