Miracle-dz/UniFAR-FTUs huggingface dataset:
X-ray structure and conformational dynamics of the HIV-1 protease in complex with the inhibitor SDZ283-910: agreement of time-resolved spectroscopy and molecular dynamics simulations.

Based on the X-ray structure of the human immunodeficiency virus type-1 (HIV-1) protease in complex with the statine-derived inhibitor SDZ283-910, a 542 ps molecular dynamics trajectory was computed. For comparison with the 805 ps trajectory obtained for the uncomplexed enzyme, the theoretical fluorescence anisotropy decay of the unliganded protease and the inhibitor complex was calculated from the trajectories of the Trp6A/Trp6B and Trp42A/Trp42B transition dipole moments. This enabled us to directly compare the simulated data with the experimental picosecond time-resolved fluorescence data. Fitting both experimental and simulated data to the Kohlrausch-Williams-Watts (KWW) function exp(-t/tauk)beta revealed a very good agreement for the uncomplexed protease as well as for the SDZ283-910 complex. Binding of the inhibitor induced a faster decay of both the experimental and the computed protease fluorescence anisotropy decay. By this integrative approach, the atomic detail of inhibitor-induced changes in the conformational dynamics of the HIV-1 protease was experimentally verified and will be used for further inhibitor optimisation.
Role of stroke rehabilitation units in managing severe disability after stroke.

BACKGROUND AND PURPOSE Stroke unit rehabilitation tends to be directed toward stroke patients with moderately severe disabilities ("the middle group"). Data collected on a stroke rehabilitation unit, however, showed improving outcome over 3 years in patients with a poor prognosis (discharge home: 48% versus 16%, P < .02; discharge Barthel Index score: 9 versus 6, P < .05). The hypothesis that stroke rehabilitation units may improve outcome in severely disabled stroke patients was tested in this study. METHODS A randomized controlled study was undertaken in 71 patients with a poor prognosis who were treated either on a stroke rehabilitation unit (n = 34) or on general wards (n = 37) to compare outcome between the two groups. Data collected were also compared with those from a methodologically similar study undertaken 3 years ago. RESULTS Severe stroke patients treated on the stroke rehabilitation unit had a significantly better outcome compared with general wards (mortality: 21% versus 46%, P < .05; discharge home 47% versus 19%, P < .01; median length of hospital stay: 43 versus 59 days, P < .02). The number of stroke unit patients being discharged home had increased significantly from the previous study, with a trend toward improvement in median discharge Barthel Index score. CONCLUSIONS Stroke rehabilitation units may improve outcome in severe stroke patients. This improvement appears to be due to the development of innovative management strategies that reduce mortality and institutionalization and enable caregivers to support more disabled stroke patients at home.
Postnatal Mental Health of Women Giving Birth in Australia 2002–2004: Findings from the Beyondblue National Postnatal Depression Program

Objectives: To describe the postnatal mental health status of women giving birth in Australia 2002–2004 at 6–8 weeks postpartum. Method: Women were recruited from 43 health services across Australia. Women completed a demographic questionnaire and an Edinburgh Postnatal Depression Scale (EPDS) in pregnancy; the latter was repeated at 6–8 weeks following childbirth. Results: A total of 12 361 postnatal women (53.8% of all postnatal women surveyed) completed questionnaires as part of a depression screening programme; 15.5% of women screened had a postnatal EPDS>9 and 7.5% of women had an EPDS>12 at 6–8 weeks following childbirth. There was significant variation between States in the percentage of women scoring as being potentially depressed. The highest percentage of women scoring EPDS>12 were in Queensland and South Australia (both 10.2%) while Western Australia had the lowest point prevalence (5.6%). Women recruited from private health services in Western Australia had a significantly lower prevalence of elevated EPDS scores than those women recruited from the public health service (EPDS >12: 3.6% vs 6.4%, p=0.026); differences in the prevalence of elevated EPDS scores were not significant between public and private in Australian Capital Territory (EPDS>12: 7.6% vs 5.8%, p=0.48), where income and education was significantly higher than other States for both groups. Conclusions: Postnatal depressive symptoms affect a significant number of women giving birth in Australia, and the point prevalence on the EPDS may be higher for women in the public sector, associated with lower incomes and educational levels. Maternity services – particularly those serving women with these risk factors – need to consider how they identify and manage the emotional health needs of women in their care. Specific State-related issues, such as availability of specialist perinatal mental health services and liaison between treating health professionals, also need to be considered.
Evaluations and improvements in small area estimation methodologies

Small area estimation (SAE) of survey data down to small area level has become an increasingly widespread activity as scholars and policy-makers have sought to gain ever more detailed spatial information to better target interventions or resources and to evaluate local policy impacts. The availability of small area data has improved dramatically since the late 1990s yet many spatial variables of interest – income, fear of crime, health-related behaviours, and so the list goes on – remain impossible to access at small area geographies (i.e. beneath local authority level in the UK context). Various alternative methodologies have emerged to carry out SAE and these can be grouped broadly into statistical approaches and spatial microsimulation approaches, each with multiple differing approaches within them. A recent network, funded by the ESRC National Centre for Research Methods, brought together experts from across these methodological approaches and relevant external partners in order to enhance the state of the art in SAE through stimulating detailed comparative methodological discussion so as to better understand the strengths, weaknesses, similarities and differences between these methodologies. This methodological review paper emerges from the network discussions and aims to: summarise the main methodological approaches to SAE and their linkages; discuss the role of the small area covariate data and the opportunities and challenges around such data; identify the main methodological priorities around SAE in need of collective research attention; and, propose the need for a collective multi-methods SAE project in order more fully explore the conceptual and technical linkages between the statistical and spatial microsimulation methodologies
A Convexity Inequality

is valid when ,L is a probability measure. In Sections 2 and 7 we extend (1) and (2) to arbitrary positive measures under the assumption that J is positively homogeneous. In Section 6 we show how the H6lder, Minkowski, and Hanner inequalities follow directly from (1) and (2). In particular, we show the one-to-one correspondence between inequalities such as (2) and continuous convex functions j: [0, +oo) -> 1R such that lim,+OO j (t)/t exists and is finite.
A Critical Review of Single Ring Cylinder Infiltrometers with Lateral Flow Compensation

Predicting infiltration rates is among the most important aspects in planning, designing, and managing groundwater recharge systems, flood water retention basins and other infiltration systems. Knowledge of soil infiltration rates determines the capacity of the soil to receive water and ultimately how much land surface will be required to meet the infiltration demand of the engineered system. The saturated hydraulic conductivity (K) of the wetted zone is theoretically equal to the final large scale steady-state infiltration rate assuming uniform soil properties and the absence of influencing factors such as soil clogging, biological activity, and entrapped air (Bouwer, 1966).
Association of non‐diabetic hyperglycemia with autonomic shift in acute ischaemic stroke

Background and purpose: The etiology of hyperglycemia in acute stroke remains controversial. It is unclear whether hyperglycemia arises as an epiphenomenon of stroke or as a reflection of underlying diabetes. Autonomic shift to sympathetic overactivity has been repeatedly observed in acute stroke. We hypothesize that hyperglycemia in acute stroke relates to autonomic imbalance and that the respective deleterious effects on stroke outcome may be cross‐linked.
Recommendation systems: a probabilistic analysis

A recommendation system tracks past actions of a group of users to make recommendations to individual members of the group. The growth of computer-mediated marketing and commerce has led to increased interest in such systems. We introduce a simple analytical framework for recommendation systems, including a basis for defining the utility of such a system. We perform probabilistic analyses of algorithmic methods within this framework. These analyses yield insights into how much utility can be derived from the memory of past actions and on how this memory can be exploited.
Effect of Maternal Betamethasone Administration on Prenatal Congenital Cystic Adenomatoid Malformation Growth and Fetal Survival

Objective: To evaluate the effect of prenatal steroid treatment on the growth of congenital cystic adenomatoid malformations (CCAM) and survival in affected fetuses not amenable to other percutaneous ultrasound-guided prenatal interventions. Methods: A retrospective review of patients with a CCAM or hybrid lesion treated with two maternal prenatal betamethasone injections was performed. Patients receiving cyst aspiration or thoracoamniotic shunting at the time of or after steroid administration were excluded. Growth rates and survival data were compared to historical non-steroid treated controls. Results: Eleven patients were treated with prenatal steroids (10 microcystic and 1 macrocystic). Survival was 100% in fetuses with hydrops (5/5) or a CCAM volume ratio (CVR) >1.6 (7/7) at the time of steroid administration. This compares to a mortality of 100 and 56.2% respectively in historical non-treated controls. Resolution of hydrops was seen in 80% (4/5) of steroid-treated patients. CCAM growth rates were variable after steroid administration. However, when compared to historical data where CVR and CCAM volume have been documented to increase until 28 weeks’ gestation, the CVR and CCAM volume growth rates decreased in 72.73% and 50% of patients respectively from the time of steroid administration to 28 weeks’ gestation. Conclusions: In the fetus with a CCAM, the presence of hydrops fetalis or a CVR >1.6 is indicative of poor fetal outcome without prenatal intervention. The observed effect of antenatal steroid treatment on CCAM growth is variable, but its potential to improve survival in these high-risk groups is encouraging and warrants further controlled evaluations.
Injuries in Women's Soccer: A 1-Year All Players Prospective Field Study of the Women's Bundesliga (German Premier League)

Objective: To obtain precise information on injury patterns in the women's premier soccer league in Germany. Design: One-year, prospective, epidemiologic cohort study. Setting: Institutional level German Football Association. Participants: All 254 players from all 12 women's premier league teams were included. Interventions: Base information by standardized personal interviews. Evaluation of all injury-associated medical data transmitted by standardized documentation forms. Assessment of Risk Factors: Injuries incidence rates (average, 95% confidence intervals) based on the exposure in matches and at practice. Main Outcome Measures: All time loss diagnoses, number and context of injuries related to their anatomical localization, severity, and rehabilitation period were recorded. Results: All 254 players finished the study [average age, 22.8 years (16-35 years)]. Two hundred forty-six injuries amounted to an injury rate of 3.3 per 1000 hours (games, 18.5 per 1000 hours; practice, 1.4 per 1000 hours). Injury distribution: knee, 31.0%; ankle, 22.1%; thigh, 12.9%; and head, 7.1%. The seasonal peak was at the beginning of the competitive season. Injury rates doubled after the 60th minute. Twenty-nine percent of the injuries were severe, and 37% were moderate. Conclusions: Female players suffer a high amount of head injuries and severe knee and ankle injuries. The most common single injury is a sprained ankle. Torn ligaments in the ankle and knee are the most common injuries that require a long recovery period. Most of the severe injuries (>30 days) are due to noncontact intrinsic mechanisms. Almost one-quarter of all injuries consist of exertion syndromes not yet correlated with certain seasonal periods.
Human Papillomavirus Type 16 L2 DNA Methylation in Exfoliated Cervical Cells From College-Age Women

Objectives The Carolina Women’s Care Study (CWCS) at the University of South Carolina followed 467 young women with the goal of identifying biomarkers of human papillomavirus (HPV) persistence. In this study, we analyzed the methylation of HPV16 DNA. Methods The aims of this study were to determine the methylation status of the HPV16 L2 gene in DNA isolated from exfoliated cervical cells collected longitudinally as part of the CWCS and to determine the prevalence of polymorphisms (single nucleotide polymorphisms [SNPs]) in folate metabolizing enzymes and DNA repair enzymes known to affect DNA methylation in blood-derived genomic DNA from CWCS participants. For methylation studies, DNA samples were bisulfite converted and amplified with the EpiTect Whole Bisulfitome kit. Polymerase chain reaction was performed for amplicons containing 5 CpG sites in L2. Pyrosequencing was carried out using EpigenDx and analyzed with PyroMark Software. Taqman genotyping assays were performed to determine selected SNP alleles in the CWCS cohort. Results and Conclusions Methylation data were obtained for 82 samples from 27 participants. Of these, 22 participants were positive for HPV16 for 3 or more visits (≥12 months). Methylation in L2 was detectable, but methylation levels varied and were not associated with HPV16 persistence. No linearity of methylation levels over time was observed in participants for whom longitudinal data could be analyzed. Analysis of 9 selected SNPs did not reveal an association with persistence. We conclude that at early stages of infection methylation of HPV16 L2 DNA in Pap test samples is not a predictive biomarker of HPV persistence.
Charge movement and mechanical repriming in skeletal muscle.

1. Muscles were placed in a solution which depolarized the membrane to ‐30 to ‐20 mV so that mechanical activation was made refractory. Mechanical repriming and the recovery of voltage dependent charge movement were studied using a voltage clamp technique. 2. Mechanical repriming was investigated by determining the duration of a hyperpolarizing pulse required to elicit a just‐visible contraction for various post‐pulse potentials. As the post‐pulse potential was made more positive shorter repriming times were required to produce a threshold contraction. The relationship approached a minimum repriming time for very positive post‐pulse potentials. 3. These results suggest that hyperpolarization gradually removes some component of the activation mechanism from a refractory state and that the effectiveness of the amount which has recovered depends on the post‐pulse potential. A quantitative explanation is given using a simple model in which the essential component is assumed to be the charge movement process. 4. The rate of repriming contraction is voltage dependent; at ‐160 mV the rate is about twice that at ‐120 mV. Between 4 and 10 degrees C the rate has a Q10 of about 9. 5. Recovery of charge movement was studied using a repriming duration less than that required to produce a threshold contraction. The observed charge movement increased linearly with repriming time, consistent with the approximately linear initial segment of a slow exponential recovery process. Extrapolation of the recovery curve indicated that 2‐5 n/CmuF of charge is reprimed in the time necessary to reprime a threshold contraction. 6. The charge which recovers during a subthreshold repriming pulse is distributed according to membrane potential in the same way as a fully reprimed charge. 7. These results are consistent with the hypothesis that voltage dependent charge movement is an intermediate step in excitation‐contraction coupling. 8. The characteristics of a second type of charge movement are also described.
Individual Endurance Training Prescription with Heart Rate Variability.

INTRODUCTION Measures of HR variability (HRV) have shown potential to be of use in training prescription. PURPOSE The aim of this study was to investigate the effectiveness of using HRV in endurance training prescription. METHODS Forty recreational endurance runners were divided into the HRV-guided experimental training group (EXP) and traditional predefined training group (TRAD). After a 4-wk preparation training period, TRAD trained according to a predefined training program including two to three moderate- (MOD) and high-intensity training (HIT) sessions per week during an 8-wk intensive training period. The timing of MOD and HIT sessions in EXP was based on HRV, measured every morning. The MOD/HIT session was programmed if HRV was within an individually determined smallest worthwhile change. Otherwise, low-intensity training was performed. Maximal oxygen consumption (V˙O2max) and 3000-m running performance (RS3000m) were measured before and after both training periods. RESULTS The number of MOD and HIT sessions was significantly lower (P = 0.021, effect size = 0.98) in EXP (13.2 ± 6.0 sessions) compared with TRAD (17.7 ± 2.5 sessions). No other differences in training were found between the groups. RS3000m improved in EXP (2.1% ± 2.0%, P = 0.004) but not in TRAD (1.1% ± 2.7%, P = 0.118) during the intensive training period. A small between-group difference (effect size = 0.42) was found in the change in RS3000m. V˙O2max improved in both groups (EXP: 3.7% ± 4.6%, P = 0.027; TRAD: 5.0% ± 5.2%, P = 0.002). CONCLUSION The results of the present study suggest the potential of resting HRV to prescribe endurance training by individualizing the timing of vigorous training sessions.
A possible case of superfetation in man.

A case is described of human dizygous twins showing marked differences in size, embryological development and presumed age. By definition, this is a case of`superfetation' although the mechanism whereby it occurs remains unknown. The possible mechanisms (fertilization of a second ovum during pregnancy; embryonic diapause resulting from delayed implantation; and retarded growth) are discussed.
Functional Properties of Adhesive Ankle Taping: Neuromuscular and Mechanical Effects Before and After Exercise

The purpose of the study was to investigate effects of adhesive ankle taping. Using electromyographic, gonio-metric, and thermologic methods, different ankle tapes were tested before and after athletic exercise in simulated inversion trauma. Twelve subjects with stable ankle joints performed five trials: with two different materials, with two taping techniques, and one trial without tape as control. After the simulated inversion trauma, approximately 35% of the initial maximum inversion amplitude was decreased by ankle taping. Depending on the technique, there was a loss of tape stability £14% after 30 min of athletic exercise. Thermologic analysis revealed a postexercise 6°C temperature increase in the foot, especially under the tape. Initially, interpreted as the primary effect, the improved joint stabilization is based on mechanical stiffness caused by the adhesive tape. Joint stability was influenced positively by neuromuscular proprioceptive and physiological processes, characterized by relatively increased electromyographic activation.
Current results and future applications of radioimmunotherapy management of non-Hodgkin's lymphoma

Monoclonal antibodies labeled with radionuclides have become an important therapeutic tool in the treatment of patients with non-Hodgkin's lymphomas (NHL). At the present time, their use in the US is approved for patients with rituximab-resistant, low-grade, follicular or transformed NHL. Encouraging responses seen in the relapsed and refractory patients have prompted their evaluation in earlier disease or in other histologic sub-types either alone or in combination with conventional chemotherapy. Additionally, they have been included as preparative regimens for stem cell transplant protocols within the context of clinical trials. This review discusses the latest clinical trials and future directions of radioimmunoconjugates in the treatment of NHL, with emphasis on US Food and Drug Administration (FDA) approved radioimmunoconjugates, namely 131I-tositumomab and 90Y-ibritumomab tiuxetan.
Extracavitary primary effusion lymphoma: clinical, morphological, phenotypic and cytogenetic characterization using nuclei enrichment technique

Primary effusion lymphoma (PEL) is a rare form of aggressive B‐cell lymphoma, which typically manifests as malignant effusion in the body cavities. However, extracavitary solid variants are also described. The aim of this study was to investigate copy number aberrations in two cases of solid PEL at their first occurrences and relapse by applying a newly developed methodology of tumour nuclei enrichment.
Photoelastic Analysis of Implant-Retained and Conventional Obturator Prostheses With Different Attachment Systems and Soft Relining

Complete and partial loss of maxillary bone may jeopardize oral physiology and generate complications as oral-sinus-nasal communication. Palatal obturator prostheses are a treatment alternative for rehabilitation of these patients. The aim of this study was to assess stress distribution, through photoelasticity, on palatal obturator prostheses associated with different attachment systems (o'ring, bar clip, and o'ring/bar clip) of implants and submitted to relining. Two photoelastic models were fabricated according to an experimental maxillary model with oral-sinus-nasal communication. One model did not present implants, whereas the other included 2 implants with 13.0 mm in length in the left ridge. Four colorless maxillary obturator prostheses were fabricated and relined with soft silicone. One of these prostheses presented no attachment system, whereas the remaining prostheses included attachment systems adapted to the implants. The assembly (model/attachment system/prosthesis) was positioned in a circular polariscope during loading with 100 N at 10 mm/s. The results were based on observation during the experiment and photographic records of stress on the photoelastic model. The bar clip system exhibited the highest stress concentration followed by o'ring/bar clip and o'ring systems. The attachment systems presented different stress distribution with greater concentration surrounding the implants and homogenous stress distribution on the photoelastic model without implants. The highest concentration of fringes occurred, in ascending order, with o'ring, o'ring/bar clip, and bar clip systems.