Miracle-dz/UniFAR-FTUs huggingface dataset:
Thermochemical, Molecular docking and ADMET studies of Aspirin metabolites

Aspirin (Asp) is a member of nonsteroidal anti-inflammation drug and widely used as an analgesic, antipyretic, and anti-inflammation agent. In this investigation, the inherent stability, chemical reactivity, and biological properties of Aspirin and its metabolites have been studied. Density functional theory (DFT) with B3LYP/321g has been employed to optimize the structures. Frontier molecular orbital features (HOMO-LUMO gap, hardness, and softness), dipole moment, electrostatic potential and thermodynamic properties (electronic energy, enthalpy, Gibb’s free energy) of these metabolites have been investigated. Molecular docking has been performed against prostaglandin H2 (PGH2) synthase protein 5F19 to search the binding affinity and mode(s) of all compounds. It is found that, all compounds are thermodynamically stable; most of them are chemically more reactive and show better binding affinity than the parent drug. ADMET calculations predict the improved pharmacokinetic properties of all metabolites. *Correspondence to: Monir Uzzaman, Department of Chemistry, University of Chittagong, Chittagong-4331, Bangladesh, E-mail: monircu92@gmail.com
Microbial and metabolic diversity of anaerobic D-galacturonate fermentation

Over the past decade the demand for technology which can make our global economy more sustainable has increased exponentially. In the field of biotechnology, one of the many advancements is focussed on the conversion of agricultural waste streams towards commodity chemicals. Plant biomass can be an environmental and sustainable alternative for the use of petrochemical substrates, with a special interest towards processes which use plant biomass in waste streams rather than currently used feedstocks, such as corn and sugarcane molasses that are competing with food production.
Hépatite C et grossesse : quoi de neuf en l'an 2000 ?* : Infections en gynécologie et obstétrique

lue le plus souvent vers la chronicité. Cependant, cette évolution vers une maladie sévère du foie est lente et ne concerne qu’une minorité de malades. Chez les jeunes femmes en âge de procréer, la maladie hépatique, le plus souvent peu sévère, n’entraîne habituellement pas de diminution de la fertilité. La découverte d’une sérologie antiVHC positive chez une femme enceinte ou la survenue d’une grossesse chez une femme atteinte d’une hépatite chronique virale C sont donc des situations cliniques relativement fréquentes.
Two scale defect measure and linear equations with oscillating coefficients

Microlocal measure ? is associated to a two-scale convergent sequence un over Rd with the limit u ? L2(Rd x Td), Td is a torus, to analyze possible strong limit. is an operator valued measure absolutely continuous with respect to the product of scalar microlocal defect measure and a measure on the d-dimensional torus. The result is applied to the first order linear PDE with the oscillating coefficients.
The 7th EFCC Continuous Postgraduate Course in Clinical Chemistry: New trends in diagnosis, monitoring and management using molecular diagnosis methods

The Croatian Society of Medical Biochemists and Slovenian Association for Clinical Chemistry, together with the European Federation of Clinical Chemistry and Laboratory Medicine (EFCC), former FESCC, have organized the seventh in a series of postgraduate weekend courses under the auspices of IFCC. The Course entitled “ New Trends in Diagnosis, Monitoring and Management using Molecular Diagnosis Methods” promotes continuing postgraduate education of professionals in clinical chemistry and laboratory medicine, and ensures the laboratory knowledge harmonization, this time on molecular diagnosis methods in particular. Renowned experts from European countries participating at this specialized EFCC Course have presented the state-of-the-art knowledge of molecular methods used in different clinical settings. The integrated knowledge of the authors, experts in different fields, printed in the Course Handbook, is intended to provide optimal information to the reader. The contents of Handbook is divided into three chapters according to the Course program. The chapter Molecular Diagnosis in Inherited Disease covers topics such as Prenatal diagnosis of chromosomal disorders – molecular aspects, Postnatal molecular diagnosis of inherited diseases, Risk assessment and Global approach to biomedicine: functional genomics and proteomics. In the chapter Molecular Diagnosis in (Pharmaco) Therapy, Pharmacogenomics and personalized medicine, Dose adjustments based on pharmacogenetics of CYP450 enzymes, Pharmacogenetics of drug receptors and Application of pharmacogenetics in dose individualization in diabetes, psychiatry, cancer and cardiology are presented. The last chapter addresses, New technologies methods, Ethics, Quality assessment in molecular diagnosis where point-of-care molecular diagnosis: a near future? , Circulating nucleic acids as a diagnostic tool, European quality assessment networks in molecular diagnosis, and Ethics and legal issues of genetic testing.
In silico design of a T-cell epitope vaccine candidate for parasitic helminth infection

Trichuris trichiura is a parasite that infects 500 million people worldwide, leading to colitis, growth retardation and Trichuris dysentery syndrome. There are no licensed vaccines available to prevent Trichuris infection and current treatments are of limited efficacy. Trichuris infections are linked to poverty, reducing children’s educational performance and the economic productivity of adults. We employed a systematic, multi-stage process to identify a candidate vaccine against trichuriasis based on the incorporation of selected T cell epitopes into virus-like particles. We conducted a systematic review to identify the most appropriate in silico prediction tools to predict histocompatibility complex class II (MHC-II) molecule T-cell epitopes. These tools were used to identify candidate MHC-II epitopes from predicted ORFs in the Trichuris genome, selected using inclusion and exclusion criteria. Selected epitopes were incorporated into Hepatitis B core antigen virus-like particles (VLPs). A combined VLP vaccine containing four Trichuris MHC-II T-cell epitopes stimulated dendritic cells and macrophages to produce pro-inflammatory and anti-inflammatory cytokines. The VLPs were internalized and co-localized in the antigen presenting cell lysosomes. Upon challenge infection, mice vaccinated with the VLPs+T-cell epitopes showed a significantly reduced worm burden, and mounted Trichuris-specific IgM and IgG2c antibody responses. The protection of mice by VLPs+T-cell epitopes was characterised by the production of mesenteric lymph node (MLN)-derived Th2 cytokines and goblet cell hyperplasia. Collectively our data establishes that a combination of in silico genome-based CD4+ T cell epitope prediction, combined with VLP delivery, offers a promising pipeline for the development of an effective, safe and affordable helminth vaccine. Author Summary The soil transmitted helminth Trichuris trichiura is a major parasite in developing countries; development of a comprehensive vaccine has been elusive. Here we used a systematic approach based on in silico identification of MHC-II T cell epitopes from genome sequences, their incorporation into a virus-like particle (VLP), characterization of the assemblies and testing in an in vivo murine infection model. Animals vaccinated with a preparation of four different VLP-antigen fusions showed significant reductions in intestinal worm burdens and associated antibody responses consistent with protection. The results suggest that a pipeline based on in silico prediction of potent MHC-II T cell epitopes, followed by incorporation into VLPs, could be a strategy which enables rapid translation into a vaccine against Trichuris trichiura.
Patient empowerment through provision of a mobile application for medication reconciliation: a proof of concept study

Background The operationalisation of medication reconciliation in daily practice is challenging, due to among others, insufficient interoperability of computer systems and high implementation costs. Involving patients in the medication reconciliation process by using information technology could potentially overcome these difficulties and reduce preventable patient harm accordingly. Objective The MyMedication app (MMa) is a mobile application developed to help patients keep their medication list up to date. This study aims to investigate the usability and reliability of MMa for medication reconciliation at care transitions. Method A random convenience sample of 17 patients was recruited during August–September 2014 at the Antonius Hospital in Sneek and Emmeloord, the Netherlands. Patients were asked to compile their medication list in MMa prior to their elective surgery. At admission, the medication list in MMa was compared with the medication list compiled by a pharmacy practitioner and the number of medication discrepancies per patient quantified. Acceptance and usability was assessed using a validated System Usability Scale (SUS) questionnaire and interviews. Results The mean number of medication discrepancies between the medication list in MMa and the list compiled by the standard procedure was 2.5 per patient. When discrepancies caused by technical errors in the MMa were excluded, only a mean number of 1.2 discrepancies per patient remained. MMa SUS indicated good usability (68/100). Conclusions The results of this study show that patients are positive about the use of the MMa and some feel even more involved in their medication treatment. The use of MMa for medication reconciliation at care transition shows potential as tool to improve patient safety and to reduce healthcare costs.
Illness Experience Sharing on Personal Blogs: A Case Study of Malaysian Breast Cancer Survivors

Illness experience which was very much a private matter is now increasingly becoming a shared public experience on different public spaces including social media, and other interactive online platform such as personal blogs. Past research has shown that sharing illness experience provides emotional support which surpasses traditional face to face support. In addition, studies also suggest that online sharing of illness experience can be both therapeutic as well as beneficial for cancer patients. Thus, exploring cancer discourse on media is important in enhancing understanding of the nature and characteristics of cancer discourse as constructed on social media. This is especially important in breast cancer illness, in the Malaysian context in which survival rate remains low due to lack of awareness and reluctance to perform screening. Hence, a total of three personal blogs written by breast cancer survivors from Malaysia were examined in this study. Taking a discourse analytic perspective, this study explored the positions taken by bloggers when constructing their illness experience and how these positions are realised through the different discursive strategies and linguistic devices. The findings provide insights into how breast cancer patients position themselves when they share their illness experience online. Understanding this new form of illness sharing provides an avenue to better understand breast cancer patients’ journey and their struggles, and the different roles relevant parties can play in their own health care management and information. Keywords:
Subcutaneous Immunoglobulin Therapy in a Woman with Spontaneous Pregnancy Loss and Multiple Sclerosis

Background: Off-label use of intravenous immunoglobulin has been reported for the treatment of recurrent spontaneous pregnancy loss and selected cases of multiple sclerosis. However, the use of subcutaneous immunoglobulin has not been reported in these settings. Methods and results: We report on tolerability and clinical efficacy of subcutaneous immunoglobulin therapy in a woman with the unusual association of IgG4 subclass deficiency, C4 hypocomplementemia, localized scleroderma, unexplained spontaneous pregnancy loss and multiple sclerosis. Weekly infusions of subcutaneous immunoglobulin were self-administered at home (6 grams/week, Hizentra®) during the next pregnancy after abortion. Interferon beta-1a for the treatment of relapsing-remitting multiple sclerosis was stopped before pregnancy. During pregnancy only subcutaneous immunoglobulin was administered. The patient was found to have 4% of CD3+CD16/CD56+ (Natural Killer (NK) /T cells). The patient delivered a healthy baby (Apgar score 9 at 5 minutes) at 37 weeks gestation. During pregnancy and 3 months follow-up after delivery no multiple sclerosis flare-ups were observed. NK-T cell percentages remained stable. Conclusions: Our observation indicates that subcutaneous immunoglobulin therapy was well tolerated and efficacious in a selected case of unexplained abortion and multiple sclerosis.
Toward real-time embedded observer of unsteady fluid flow environment

For monitoring and actively controlling hydrodynamic and aerodynamic systems (e.g. aircraft wing), it can be necessary to estimate in real-time and predict the flow around those systems. We propose here a new method which combines data, physical models and measurements for this purpose. Very good numerical results have been obtained on 2- and 3-dimensional wake flows at moderate Reynolds, even 16 vortices shedding cycles after the learning window.
Current diagnosis, treatment and etiology of status epilepticus/Status epileptikus'un guncel tani, tedavi ve etiyolojisi

Status Epilepticus (SE) is a medical emergency that causes significant morbidity and mortality and requires prompt diagnosis and treatment. Although SE can be divided into two subgroups as convulsive and nonconvulsive, treatment principles are generally similar. Treatment should be prompt and underlying cause should be corrected. Although intravenous lorazepam is the first-line treatment due to a lower risk of relapse, diazepam becomes the first choice since loeazepan is not available in our country. Even though intravenous benzodiazepine stops seizures, intravenous antiepileptic drug (phenytoin, etc.) should be administered at a loading dose. Patients with refractory status epilepticus should be supported with respect to vital, respiratory, metabolic and hemodynamic aspects and followed up in an intensive care unit to monitor cerebral electrical activity. The most common cause in the etiology is the cessation of antiepileptic drugs. The aim of SE treatment is to stop seizures and prevent complications and recurrence. In this paper, current diagnosis, treatment and etiology of SE are reviewed.
Bird Communities at the Suburban–Rural Interface: The Role of Low-intensity, Small-scale Urbanization

Urbanization is one of the main drivers of biodiversity loss, and birds are an efficient way to assess this threat. Although it is generally less intense than that found in urban centers, development occurring along the suburban–rural interface represents a far larger area of rapid land-use change. In this study, we compared bird species richness, diversity, and community composition at 3 suburban sites on our university campus with that at 3 nearby naturally forested sites to assess whether this level of development results in the same pattern of diversity loss and community changes that have been documented in large cities. We report a significant shift in bird communities, with lower diversity and evenness at the suburban sites, and a positive correlation between bird diversity and tree density. We conclude that even small-scale development significantly alters bird communities in the growing suburban–rural interface, and that more research is needed to identify ways to mitigate its impact.
Development of A Compact and Low Profile Cavity Backed Slot Antenna Using Microstrip Gap Waveguide Technology

Proof of concept of a cavity backed slot antenna based on inverted microstrip gap ‎waveguide (IMGW) technology is presented. Since the antenna is operating based on the ‎first resonating mode of the cavity, it is more compact compared to the ordinary cavity ‎backed slot antennas in which the second cavity mode is used for radiation. Furthermore, ‎the proposed antenna element introduces lower losses compared to a microstrip patch ‎thanks to the surface wave suppression and lower dielectric loss of the air filled IMGW ‎cavity. A sample antenna is designed and fabricated to operate at 9.6GHz and quite good ‎agreement between simulation and measurement results is observed. ‎
Caractérisation de l'ichtyofaune du plateau de la sonde par l'approche de code-barre ADN : une étude de cas sur l'île de Java

The Indonesian archipelago hosts 1218 freshwater fish species disseminated across 14,000 islands. Encompassing three majors geographic assemblages (Sundaland, Wallacea, Sahul) separated by two majors faunistic transitions (Wallace and Lyddeker lines), Indonesian islands display heterogeneous levels of species richness resulting from diverse geological and paleoecological histories. Sundaland itself hosts 68% of the total number of freshwater fish species and constitutes one of the world’s most endangered fauna worldwide. By contrast with Wallacea that results from an early settlement through subduction around 40 Mya, Sundaland (Borneo, Sumatra and Java) has acquired its modern configuration during the last 5 Mya through a combination of continental fragmentation and subduction. The alarming state of Sundaland ichthyodiversity, combined with major taxonomy and distribution knowedge gaps, urges for a modern reapparaisal through standardized DNA-based methods. The ichtyodiversity of Java in particular, is the most threatened and the less known of Sundaland. This dissertation aims at addressing two main questions: (1) Is DNA barcoding a suitable approach to characterize the ichthyodiversity of Java? (2) Is the geological and paeloecological history of Java a good predictor of diversity patterns and population genetic structure? The main results evidence: (1) large discrepancies between the checklist of the Java freshwater fishes based on historical records and a modern re-appraisal through DNA barcodes. Reasons invoqued are the taxonomic bias related to the interrupted inventory of Java ichthyofauna during the last 3 centuries and the rarefaction of several species targeted by artisanal fisheries. (2) A DNA-based reappraisal of species boundaries and distribution for the genera Nemacheilus and Rasbora indicated two new taxa, several cases of cryptic diversity and several cases of wrong assignement of populations to the species levels. Species range distributions appear to be much more restricted than previously thoughts and question the persistence of these species in changing landscapes. (3) A DNA-based assessment through DNA barcodes of the population genetic structure of three widespread species in Java evidences high levels of cryptic diversity and deep genetic divergences among geographically restricted and non-overlapping mitochondrial lineages. Consistent with a fragmentation related to the rise of volcanic arches in Java that prompted a long-term declines of historical effective population size, this pattern argue for the sensitive conservation status of these mitochondrial lineages. The results presented here highlights the benefits of using a standardized DNA-based approach for the fast characterization of a poorly known fauna and open new perspectives in the conservation of the ichtyofauna of Java and Bali.
Risk Assessment for Professionals Performing Excavation Services in Civil Construction: Case Study in Manaus - Amazonas

The purpose of this study is to analyze safety conditions during excavation services, seeking to identify risks to employees in situations of ignorance or use of safety measures. Therefore, this study was conducted through a qualitative study, exploratory and descriptive, seeking to diagnose the main impacts of the adequacy of NR-8, NR-12 and NR-18 in a construction site in Manaus-AM. The results showed lack of signaling on the excavation perimeter, no use of personal protective equipment and residue around the excavation perimeter. The nonconformities found imply exposure of the employee to situations of imminent risk, compromising their safety and health. Training proposals to raise awareness of the importance of safety standards for the execution of activities can contribute to a safer scenario regarding working conditions. Keywords— Risk assessment, Construction, Excavation.
Robust Motion Planning in Dynamic Environments Based on Sampled-Data Hamilton–Jacobi Reachability

SUMMARY We propose a novel formal approach to robust motion planning (MP) in dynamic environments based on reachability analysis. While traditional MP methods usually fail to provide formal robust safety and performance guarantees, our approach provably ensures safe task achievement in time-varying and adversarial environments under parametric uncertainty. We leverage recent results on Hamilton–Jacobi (HJ) reachability and differential games in order to compute offline guaranteed motion plans that are compatible with the sampled-data (SD) paradigm. Also, we synthesize online provably robust safety-preserving and target-reaching feedback controls. Unlike earlier applications of reachability analysis to MP, our methodology handles arbitrary time-varying constraints, adversarial agents such as pursuing obstacles or evading targets, and takes into account the robot’s configuration. Furthermore, we use HJ projections in order to reduce significantly the computational burden without trading off safety guarantees. The validity of this approach is demonstrated through the case study of a robot arm subject to measurement errors, which is tasked with safely reaching a goal in a known time-varying workspace while avoiding capture by an unpredictable pursuer. Finally, the performance of the approach and research perspectives are discussed.
Architecture design and FPGA implementation of full digital active sonar transmitters

Abstract In order to solve the shortcomings of conventional active sonar transmitters, a new architecture of full digital transmitter was proposed. The proposed architecture focused on the reconfiguration of the transmitter structure and the improvement on the control mode of the power amplifier. Many devices of traditional transmitters were removed, and the waveform generator, transmitting beamforming, PWM signals generation and dead-time control were implemented in the FPGA. The digital transmitter can reduce the complexity of active sonar system, and improve the reliability of the transmitter. The simulations and experiments show that the proposed transmitter is reliable and meets the design requirements.