Miracle-dz/UniFAR-FTUs huggingface dataset:
VOCCluster: Untargeted Metabolomics Feature Clustering Approach for Clinical Breath Gas Chromatography - Mass Spectrometry Data.

Metabolic profiling of breath analysis involves processing, alignment, scaling and clustering of thousands of features ex-tracted from Gas Chromatography Mass spectrometry (GC-MS) data from hundreds of participants. The multi-step data processing is complicated, operator error-prone and time-consuming. Automated algorithmic clustering methods that are able to cluster features in a fast and reliable way are necessary. These accelerate metabolic profiling and discovery plat-forms for next generation medical diagnostic tools. Our unsupervised clustering technique, VOCCluster, prototyped in Py-thon, handles features of deconvolved GC-MS breath data. VOCCluster was created from a heuristic ontology based on the observation of experts undertaking data processing with a suite of software packages. VOCCluster identifies and clusters groups of volatile organic compounds (VOCs) from deconvolved GC-MS breath with similar mass spectra and retention index profiles. VOCCluster was used to cluster more than 15,000 features extracted from 74 GC-MS clinical breath samples obtained from participants with cancer before and after a radiation therapy. Results were evaluated against a panel of ground truth compounds and compared to other clustering methods (DBSCAN and OPTICS) that were used in previous metabolomics studies. VOCCluster was able to cluster those features into 1081 groups (including endogenous, exogenous compounds and instrumental artefacts) with an accuracy rate of 96% (± 0.04 at 95% confidence interval).
COOPERATIVE LOCATION ESTIMATION IN HIGH-DENSITY MOBILE AD HOC NETWORKS

Location-aware ad hoc routing protocols use the position of nodes to forward packets from sources to destinations. A simple and accurate way to provide location information is using a GPS receiver in each mobile node. However, embedding GPS receivers in all the mobile nodes is not applicable in many low-cost applications. Thus, other mechanisms have been proposed to estimate the location of a mobile node. In this paper we propose a novel location estimation approach called Cooperative Location Estimation. The main idea in this approach is the cooperation of mobile nodes in order to estimate their locations. The performance of the proposed approach is evaluated by performing a series of simulations.
The Binding of Drug Molecules to Serum Albumin: The Effect of Drug Hydrophobicity on Binding Strength and Protein Desolvation.

In this work, Dual Polarization Interferometry (DPI) and Quartz Crystal Microgravimetry with Dissipation Monitoring (QCM-D) was used to examine the binding characteristics and structure-activity relationships of 12 common drugs on a model bovine serum albumin (BSA) film. By taking advantage of the different hydration sensitivities of DPI and QCM-D we were able to quantify changes in the solvent state upon drug binding to BSA. Quantifying the changes in water mass within binding pockets and upon drug-protein binding allows for a more complete understanding of binding phenomena between drug molecules and serum proteins. For the drugs tested, a quantitative structure-activity relationship (QSAR) indicates a correlation between drug binding (KD) and hydrophobicity (ClogP), with the latter being related to the drug's ability to desolvate the BSA upon binding. Understanding these relationships provides insight into the role of water at the protein-ligand interface and is of particular importance in the area of ligand-binding within the field of drug design. This study underscores the importance of hydrophobicity to drug binding kinetics and may be used to further understand and improve drug design and delivery protocols.
Behavioural activation therapy to improve participation in adults with depression following brain injury: A single-case experimental design study

ABSTRACT Following brain injury, the risk of depression increases. There are few studies of non-pharmacological interventions for this problem. Behavioural Activation (BA) could help because it has been demonstrated to be as effective as cognitive-behaviour therapy but is less cognitively demanding and more suitable for people with brain impairment. The current study evaluated BA using a multiple-baseline design across behaviours with replication. Three male participants with clinically significant depressive symptoms (two with traumatic brain injury aged 26 and 46, one who experienced strokes in infancy, aged 26) engaged in a 10-14-week trial of BA focusing on three activity domains: physical, social and functional activities. Participants completed an online form three times a day which recorded activity participation and responses to a single-item mood scale. There was little evidence in support of BA for increasing participation. There was also a lack of change in average mood, but some positive effects were found on measures of depression symptoms and quality of life in these participants. Various factors affected participation which might have been mitigated by extended treatment contact, greater use of prompts or electronic aids or the addition of other therapy modes.
Metabotropic glutamate receptor subtype 7 controls maternal care, maternal motivation and maternal aggression in mice

The group III metabotropic glutamate receptor subtype 7 (mGlu7) is an important regulator of glutamatergic and GABAergic neurotransmission and known to mediate emotionality and male social behavior. However, a possible regulatory role in maternal behavior remains unknown to date. Adequate expression of maternal behavior is essential for successful rearing and healthy development of the young. By understanding genetic and neural mechanisms underlying this important prosocial behavior, we gain valuable insights into possible dysregulations. Using genetic ablation as well as pharmacological modulation, we studied various parameters of maternal behavior in two different mouse strains under the influence of mGlu7. We can clearly show a regulatory role of mGlu7 in maternal behavior. Naïve virgin female C57BL/6 mGlu7 knockout mice showed more often nursing postures and less spontaneous maternal aggression compared to their heterozygous and wildtype littermates. In lactating C57BL/6 wildtype mice, acute central activation of mGlu7 by the selective agonist AMN082 reduced arched back nursing and accelerated pup retrieval without affecting maternal aggression. In addition, in lactating CD1 wildtype mice the selective mGlu7 antagonist XAP044 increased both pup retrieval and maternal aggression. With respect to receptor expression levels, mGlu7 mRNA expression was higher in lactating vs virgin C57BL/6 mice in the prefrontal cortex, but not hypothalamus or hippocampus. In conclusion, these findings highlight a significant role of the mGlu7 receptor subtype in mediating maternal behavior in mice. Region‐dependent studies are warranted to further extend our knowledge on the specific function of the brain glutamate system in maternal behavior.
Diagnosis of Hirschsprung Disease

Diagnosis or exclusion of Hirschsprung disease (HSCR) is a frequent exercise in any pediatric hospital. Although HSCR may present at different ages and with varied clinical findings, the most common presentation is a neonate with severe constipation or signs of intestinal obstruction. A variety of diagnostic tests including contrast enema and anorectal manometry may be used as diagnostic screens, but diagnosis ultimately rests upon histopathological evaluation of a rectal biopsy. For the experienced pathologist, conventional hematoxylin-and-eosin-stained sections often suffice to exclude HSCR or establish the diagnosis. However, ancillary diagnostic tests such as acetylcholinesterase histochemistry or calretinin immunohistochemistry are complementary and extremely helpful in some cases. In this Perspectives article, we review the clinical and pathological features of HSCR, highlight those that are found in most patients, and discuss how to address particularly challenging aspects of the diagnostic workup.
Theoretical study of the formation of α-chloroglycidic esters in aliphatic series using the quantum DFT method with B3LYP/6-311G (d, p)

In the present work we used the quantum DFT method (density functional theory) B3LYP/6-311G (d, p) to determine the following: geometric optimization of interatomic distances in the reactants isopropyl dichloroacetate and isobutyraldehyde, transition states of the products obtained during the reaction between these two reactants, energies corresponding to reactants and products, electron density at certain atoms of the reactants, electrophilic and nucleophilic nature of the reactants, Fukui indices, condensed local softness values, local electrophilicity and nucleophilicity indices, certain thermodynamic values of the reaction (enthalpy, entropy, free enthalpy), location of the transition states, electronic populations of atoms and reactivity indexes calculated using natural population analysis (NPA), MK and CHelpG electrostatic population, analysis of potential energy surface and nature of the reaction mechanism.
Dichloro{N-[3-(η5-cyclopentadienyl)-propyl]-4-toluenesulfonamido-κ2N, O}-titanium (IV)

The title compound, [Ti(C15H17NO2S)Cl2], has a Ti atom bound to the N and O atoms of a p-toluene­sulfon­amide ligand, which is tethered by a three-carbon chain to a η5-cyclo­penta­dienyl group. The distorted square-pyramidal geometry is completed by two Cl atoms. The Ti—N bond length of 2.0375 (13) A is longer than that in related compounds, the N atom having asymmetric trigonal–planar geometry. Conformational strain relief is noted when compared with ethyl-tethered compounds.
A BRIEF INTRODUCTION ON ASTHMA

Asthma is often associated with various comorbidities. The most frequently reported asthma comorbid conditions include rhinitis, sinusitis, gastroesophageal reflux disease, obstructive sleep apnea, hormonal disorders and psychopathologies. These conditions may, first: share a common pathophysiological mechanism with asthma; second: influence asthma control, its phenotype and response to treatment; and third: be more prevalent in asthmatic patients but without obvious influence on this disease. For many of these, how they interact with asthma remains to be further documented, particularly for severe asthma. If considered relevant, they should, however, be treated appropriately. Further research is needed on the relationships between these conditions and asthma.
High-power multi-octave laterally diffused metal-oxide-semiconductor power amplifier with resistive harmonic termination

In this study, a broadband high-power amplifier with resistive harmonic matching is introduced. The analytical formulations for the drain voltage, output power, optimum load resistance, and efficiency are derived for this type of amplifier under class-B bias conditions. The design is based on a linear model of a laterally diffused metal–oxide–semiconductor transistor. In contrast to the conventional linear method that is based on an equivalent output circuit, the output matching circuit is designed in the presence of the dependent current source and intrinsic elements of the transistor. The design technique permits a broadband amplifier to be realised without load–pull measurement. The broadband power amplifier is intended for operation in the frequency range of 30–1000 MHz and covers the very high-frequency (HF) and ultra-HF bands. The power amplifier delivers 100 W to a 50 Ω load with efficiencies of 38–56%. To validate the design concept, the measured performance of the power amplifier is compared with simulations that incorporate a non-linear model of the transistor. The power amplifier is not driven into saturation and exhibits 2nd and 3rd harmonics of <−20 and <−10 dBc, respectively.
Management of Hypertension in Diabetes

In Brief Untreated or poorly controlled hypertension can significantly accelerate the development and progression of both the micro- and macrovascular complications of diabetes. Aggressive blood pressure control improves patient outcomes and reduces health care costs. Unfortunately, nearly two-thirds of people with diabetes do not have blood pressure readings within the target range. Effective antihypertensive regimens maximize nonpharmacological therapies, minimize adverse effects on glucose control, lessen the risk of medication-related side-effects, and provide adequate cardiac and renal protection.
Higher G allele frequency of RET C2307t>G polymorphism in female patients with Hirschsprung disease in Yogyakarta, Indonesia

Background Hirschsprung disease (HSCR) is a heterogenous congenital disorder and the current research show that the RET gene is a major locus involved in its pathogenesis. However, whether these genes take a part in sporadically Indonesian HSCR have not been fully understood. Objective The aim of this study was to analyze the association of RET gene c2307T>G polymorphism among HSCR patient in Yogyakarta population. Methods Genomic DNA was extracted from bowel tissues of 34 patients with sporadic HSCR which were removed by surgery as case group and blood DNA from 46 healthy persons as control group without history of genetic disorder. Exon 13 of RET gene was amplified by polymerase chain reaction (PCR) and was analyzed by restriction fragment length polymorphism (RFLP). Results Of 34 patients, 22 were males and 12 were females, giving male to female ratio of 1.83:1. The c2307T>G polymorphism in RET exon 13 was not significantly difference between patient and control group (chi-square test P=0.17). However, there was a significant difference in female patient compare with control (chi-square test P=0,04). Conclusion The RET gene c2307T>G polymorphism was found among HSCR patient in Yogyakarta population. This polymorphism can be used as predictor for development of HSCR among female individual. [Paediatr Indones 2008;48:88-92].
Lung Gene Therapy: Clinical and Regulatory Issues

Lung gene therapy is a promising therapeutic approach for several difficult to treat disorders such as cystic fibrosis, α1‐antitrypsin deficiency, and cancers. Although several gene therapy protocols have proven success in preclinical studies, when moved to the clinical stages, they have met with limited success. Thus, there is a need to carefully assess the developmental approaches undertaken with gene therapy products intended for lung disorders. This review summarizes the advances made in lung gene therapy, discusses the limitations of the existing approaches including the lack of reliability of preclinical studies, immunogenecity and toxicity of the gene therapy vectors, and the poor efficiency of nonviral vectors, and invokes the role of ethics and the regulatory agencies in better developing the gene therapy products.
Terapia conservadora de órgano en cáncer de vejiga en divertículo vesical

El cáncer urotelial de vejiga es el segundo tumor maligno más frecuente en el tracto genitourinario. La mayoría son superficiales y 10-20% de los casos son invasores a músculo detrusor. Su presentación en un divertículo vesical es muy rara, con una incidencia aproximada de 0.8% de los casos reportados en la literatura. Se presenta el caso de un paciente masculino de 62 años que desarrolló un tumor urotelial de alto grado en un divertículo vesical, el cual fue tratado inicialmente con resección transuretral y una dosis postoperatoria de mitomicina C. Se continuó su manejo con cistectomía parcial, con diagnóstico de cáncer urotelial invasor de alto grado en músculo detrusor, por lo que recibió adyuvancia con quimioterapia (gemcitabine + carboplatino) y radioterapia, con adecuada evolución.
Publish-subscribe systems over large dynamic graphs

Publish-subscribe systems are the backbone for communications in distributed systems. Traditionally, publish-subscribe systems have evolved based on message topics and content. Our research is based on recent idea of graph-based publish-subscribe idea and to extend it to large dynamic graphs. Large dynamic graphs have far reaching applications and we believe graph-based publish-subscribe will benefit these applications by providing expressive semantics and optimized implementations. Our work will focus on two applications namely, Traffic navigation and Knowledge graphs which are modelled as dynamic graphs. We will formalize the notion of graph-based publish-subscribe, implement full-pledged systems, and run experiments to demonstrate the efficiencies gained.
pH Sensing in Bacillus subtilis: a New Path to a Common Goal

pH is one of the most fundamental properties of the environments in which microorganisms live. It is, therefore, not surprising that bacteria have evolved mechanisms to sense and respond to pH. One aspect of this response for motile bacteria is to migrate to areas of optimal pH. The paper by P. Tohidifar, M. J. Plutz, G. W. Ordal, and C. ABSTRACT pH is one of the most fundamental properties of the environments in which microorganisms live. It is, therefore, not surprising that bacteria have evolved mechanisms to sense and respond to pH. One aspect of this response for motile bacteria is to migrate to areas of optimal pH. The paper by P. Tohidifar, M. J. Plutz, G. W. Ordal, and C. V. Rao (J Bacteriol 202:e00491-19, 2020, https://doi.org/10.1128/JB.00491-19) describes how Bacillus subtilis uses bidirectional chemotaxis mediated by four closely related dCACHE_1 chemoreceptors to migrate to regions of neutral pH.
Preoperative Stellate Ganglion Block for Perioperative Pain in Lateralized Head and Neck Cancer: Preliminary Results

Patients with head and neck cancer represent a vulnerable population at particular risk of opioid dependence due to frequent histories of substance abuse, requirement of extensive surgery, and the synergistic toxicity of multimodal therapy. Regional anesthetic techniques have been used by other surgical disciplines to facilitate early recovery after surgery and decrease postoperative patient narcotic requirements. This pilot study investigates the efficacy of a preoperative regional analgesia using stellate ganglion block in lateralized head and neck cancer surgery. From our early results, stellate ganglion blockade may hold promise as an effective preoperative intervention for controlling early postoperative pain, lessening narcotic requirements, and improving quality of life.
TDQ-30-A New Color Picture-Naming Test for the Diagnostic of Mild Anomia: Validation and Normative Data in Quebec French Adults and Elderly.

OBJECTIVE A reduction in lexical access is observed in normal aging and a few studies also showed that this ability is affected in individuals with subjective cognitive decline. Lexical access is also affected very early in mild cognitive impairment as well as in major neurocognitive disorders. The detection of word-finding difficulties in the earliest stages of pathological aging is particularly difficult because symptoms are often subtle or mild. Therefore, mild anomia is underdiagnosed, mainly due to the lack of sensitivity of naming tests. In this article, we present the TDQ-30, a new picture-naming test designed to detect mild word-finding deficits in adults and elderly people. METHOD The article comprises three studies aiming at the development of the test (Study 1), the establishment of its validity and reliability (Study 2), and finally, the production of normative data for French-speaking adults and elderly people from Quebec (Study 3). RESULTS The results showed that the TDQ-30 has good convergent validity. Also, the TDQ-30 distinguished the performance of healthy controls from those of participants with mild cognitive impairment, Alzheimer's disease, and post-stroke aphasia. This suggests good discriminant validity. Finally, this study provides normative data computed from a study sample composed of 227 participants aged 50 years and over. CONCLUSIONS The TDQ-30 has the potential to become a valuable picture-naming test for the diagnosis of mild anomia associated with pathological aging.
Analyzing Compositionality in Visual Question Answering

Since the release of the original Visual Question Answering (VQA) dataset, several newer datasets for visual reasoning have been introduced, often with the express intent of requiring systems to perform compositional reasoning. Recently, trans-former models pretrained on large amounts of images and associated text have been shown to perform much better than simple baselines on such compositional reasoning datasets as NLVR2 and GQA. In this paper, we analyze the performance of one of these models, LXMERT, on these two datasets. We show that despite the model’s strong quantitative results, it may not be performing compositional reasoning because it does not need many relational cues to achieve this performance and more generally uses relatively little linguistic information. Our analysis utilizes experiments with relational linguistic cues removed, the input reduction technique, and a syntactic probe.
Predictors of prenatal distress and fear of childbirth among nulliparous and parous women

Background: Prenatal distress and fear of childbirth negatively affect the health of the mother and the fetus. Sociodemographic and pregnancy related characteristics may influence prenatal distress and fear of childbirth. Aim: This study aimed to explore the relationship between fear of childbirth and prenatal distress levels with accompanying factors. Subjects and Methods: The study was designed as a cross-sectional survey study and conducted in the outpatient clinic of Obstetrics and Gynecology Department of Pamukkale University Hospital, Denizli, Turkey, between April 2017 and January 2018. Survey data were collected from 103 third-trimester pregnant women who had admitted to the hospital for routine prenatal examination. Sociodemographic Information Form, the Revised Prenatal Distress Questionnaire (NUPDQ), and the Wijma Delivery Expectancy/Experience Questionnaire (W-DEQ) were used to collect data. Sociodemographics, obstetrics, and other variables were summarized by descriptive statistics. Mann-Whitney U-test, Chi-squared test, and Fisher's exact test were used for comparison of data between groups. Results: The mean score of NUPDQ was 7.58 (SD 4.09) in the nulliparous group and 8.17 (SD 5.16) in the multiparous group (P = 0.68). The mean W-DEQ score was 40.46 (SD 21.80) in nulliparous women and 45.55 (SD 26.72) in multiparous women (P = 0.38). The W-DEQ and NUPDQ scores were moderately correlated with a Spearman correlation co-efficient of 0.58 (P < 0.001). Conclusions: The results of this study revealed that fear of childbirth and prenatal distress were moderately and positively correlated. NUPDQ and W-DEQ can be used during pregnancy to understand if pregnant women have fear or distress. This could help to give a better support to pregnant women.
Assessment of right ventricular dysfunction in patients with mitral stenosis: A speckle tracking study

Although it is affected at an early stage, there is a lack of studies investigating right ventricular (RV) function in patients with mitral stenosis (MS). We aimed to investigate the correlation between conventional echocardiographic variables and tricuspid annular plane systolic excursion (TAPSE), used as an indicator of RV dysfunction.