Miracle-dz/UniFAR-FTUs huggingface dataset:
Controlled Focused Ion Beam Milling of Composite Solid State Nanopore Arrays for Molecule Sensing

Various nanoscale fabrication techniques are elaborated to form artificial nanoporous/nanochannel membranes to be applied for biosensing: one of the most prevalent is the micro-electromechanical systems (MEMS) compatible focused ion beam (FIB) milling. This technique can be easily adopted in micro- and nanomachining process sequences to develop composite multi-pore structures, although its precision and reproducibility are key points in the case of these thick multi-layered membranes. This work is to demonstrate a comprehensive characterisation of FIB milling to improve the reliability of the fabrication of solid state nanopore arrays with precisely predetermined pore geometries for a targeted molecule type to be recognised. The statistical geometric features of the fabricated nanopores were recorded as the function of the process parameters, and the resulting geometries were analysed in detail by high resolution scanning electron microscope (SEM), transmission electron microscope (TEM) and ion scanning microscopy. Continuous function of the pore diameter evolution rate was derived from the experimental results in the case of different material structures, and compared to former dissentient estimations. The additional metal layer was deposited onto the backside of the membrane and grounded during the ion milling to prevent the electrical charging of dielectric layers. The study proved that the conformity of the pore geometry and the reliability of their fabrication could be improved significantly. The applicability of the developed nanopore arrays for molecule detection was also considered by characterising the pore diameter dependent sensitivity of the membrane impedance modulation based measurement method.
Exploring 3D-QSPR models of human skin permeability for a diverse dataset of chemical compounds

Abstract The control of permeation is vital not only for the topical application of lotions, creams, and ointments but also for the toxicological and risk assessment of materials from environmental and occupational hazards. To understand the effects of physicochemical properties of a variety of 211 compounds on skin permeability, we developed a three-dimensional quantitative structure-property relationship (3 D-QSPR) model. Alignment free GRid-INdependent Descriptors (GRINDs), which were derived from molecular interaction fields (MIFs) contributed to the regression models. Kennard–Stone algorithm was employed to split data set to a training set of 159 molecules and a test set of 52 molecules. Fractional factorial design (FFD), genetic algorithm (GA) and successive projection algorithm (SPA) were applied to select the most relevant 3 D molecular descriptors. The descriptors selected using various feature selection were correlated with skin permeability constants by partial least squares (PLS) and support vector machine (SVM). SPA-SVM model gave prominent statistical values with the correlation coefficient of = 0.96, Q2= 0.73 and R2pred=0.76. According to the analysis results, the hydrogen bonding donor and acceptor properties of the investigated compounds can influence the penetration into the human skin. Furthermore, it was found that permeability was enhanced by increasing the hydrophobicity and was diminished by increasing the molecular weight. In addition, the presence of hydrophobic groups in the target molecule, as well as their shape and position, can affect the skin permeability.
Environmental Management Breadth, Environmental Management Depth, and Manufacturing Performance

According to the number of environmental management practices implemented by the firm and the degree of integration of environmental management with other functions of the firm, this study divides environmental management into two dimensions: environmental management breadth and environmental management depth. We argue that the impact of environmental management breadth on manufacturing performance is moderated by environmental management depth. A survey data including 225 Chinese manufacturing firms is used to test the hypotheses. Results show that there is an inverted U-shaped relationship between environmental management breadth and manufacturing performance; the impact of environmental management depth is positive; meanwhile, environmental management depth moderates the relationship between environmental management breadth and manufacturing performance.
Are there differences between those doctors who apply for a training post in Foundation Year 2 and those who take time out of the training pathway? A UK multicohort study

Introduction Knowledge about the career decisions of doctors in relation to specialty (residency) training is essential in terms of UK workforce planning. However, little is known about which doctors elect to progress directly from Foundation Year 2 (F2) into core/specialty/general practice training and those who instead opt for an alternative next career step. Objective To identify if there were any individual differences between these two groups of doctors. Design This was a longitudinal, cohort study of ‘home’ students who graduated from UK medical schools between 2010 and 2015 and completed the Foundation Programme (FP) between 2012 and 2017. We used the UK Medical Education Database (UKMED) to access linked data from different sources, including medical school performance, specialty training applications and career preferences. Multivariable regression analyses were used to predict the odds of taking time out of training based on various sociodemographic factors. Results 18 380/38 905 (47.2%) of F2 doctors applied for, and accepted, a training post offer immediately after completing F2. The most common pattern for doctors taking time out of the training pathway after FP was to have a 1-year (7155: 38.8%) or a 2-year break (2605: 14.0%) from training. The odds of not proceeding directly into core or specialty training were higher for those who were male, white, entered medical school as (high) school leavers and whose parents were educated to degree level. Doctors from areas of low participation in higher education were significantly (0.001) more likely to proceed directly into core or specialty training. Conclusion The results show that UK doctors from higher socioeconomic groups are less likely to choose to progress directly from the FP into specialty training. The data suggest that widening access and encouraging more socioeconomic diversity in our medical students may be helpful in terms of attracting F2s into core/specialty training posts.
Molecular bases of responses to abiotic stress in trees

Abstract Trees are constantly exposed to climate fluctuations, which vary with both time and geographic location. Environmental changes that are outside of the physiological favorable range usually negatively affect plant performance and trigger responses to abiotic stress. Long-living trees in particular have evolved a wide spectrum of molecular mechanisms to coordinate growth and development under stressful conditions, thus minimizing fitness costs. The ongoing development of techniques directed at quantifying abiotic stress has significantly increased our knowledge of physiological responses in woody plants. However, it is only within recent years that advances in next-generation sequencing and biochemical approaches have enabled us to begin to understand the complexity of the molecular systems that underlie these responses. Here, we review recent progress in our understanding of the molecular bases of drought and temperature stresses in trees, with a focus on functional, transcriptomic, epigenetic, and population genomic studies. In addition, we highlight topics that will contribute to progress in our understanding of the plastic and adaptive responses of woody plants to drought and temperature in a context of global climate change.
Evidence for an Allosteric S-Nitrosoglutathione Binding Site in S-Nitrosoglutathione Reductase (GSNOR)

Current research has identified S-nitrosoglutathione reductase (GSNOR) as the central enzyme for regulating protein S-nitrosylation. In addition, the dysregulation of GSNOR expression is implicated in several organ system pathologies including respiratory, cardiovascular, hematologic, and neurologic, making GSNOR a primary target for pharmacological intervention. This study demonstrates the kinetic activation of GSNOR by its substrate S-nitrosoglutathione (GSNO). GSNOR kinetic analysis data resulted in nonhyperbolic behavior that was successfully accommodated by the Hill–Langmuir equation with a Hill coefficient of +1.75, indicating that the substrate, GSNO, was acting as a positive allosteric affector. Docking and molecular dynamics simulations were used to predict the location of the GSNO allosteric domain comprising the residues Asn185, Lys188, Gly321, and Lys323 in the vicinity of the structural Zn2+-binding site. GSNO binding to Lys188, Gly321, and Lys323 was further supported by hydrogen–deuterium exchange mass spectroscopy (HDXMS), as deuterium exchange significantly decreased at these residues in the presence of GSNO. The site-directed mutagenesis of Lys188Ala and Lys323Ala resulted in the loss of allosteric behavior. Ultimately, this work unambiguously demonstrates that GSNO at large concentrations activates GSNOR by binding to an allosteric site comprised of the residues Asn185, Lys188, Gly321, and Lys323. The identification of an allosteric GSNO-binding domain on GSNOR is significant, as it provides a platform for pharmacological intervention to modulate the activity of this essential enzyme.
Geometric analysis of alveolar bone around the incisors after anterior retraction following premolar extraction.

OBJECTIVE To evaluate changes in shape and alterations in thickness and vertical marginal bone levels of the alveolar bone around the maxillary and mandibular incisors before and after orthodontic treatment with premolar extraction using geometric morphometric analysis. MATERIALS AND METHODS Thirty-six patients with Class I bialveolar protrusion who underwent orthodontic treatment with premolar extraction were included. Cone-beam computed tomographic scans were obtained from the patients before and after treatment. Five fixed landmarks and 70 semilandmarks were used to represent the morphology of the alveolar bone around the maxillary and mandibular incisors. The coordinates of the landmarks of the alveolar bones were generated by Procrustes fit. The labial and lingual alveolar bone thicknesses around the maxillary and mandibular incisors and vertical marginal bone level were assessed quantitatively. RESULTS There was a significant difference in shape change of the alveolar bone before and after treatment. The deformation grid of the thin plate spline showed that the thickness and vertical marginal bone decreased on the lingual side after treatment. Shape changes were greater for the lingual alveolar bone on the mandibular incisor than for the maxillary incisors. CONCLUSIONS Orthodontic treatment with premolar extraction might cause loss of alveolar bone around the maxillary and mandibular incisors. Careful consideration is needed to avoid iatrogenic degeneration of periodontal support around the incisors, particularly in the lingual area.
Excitatory Amino Acid Transporters (EAATs): Glutamate Transport and Beyond

Na+-dependent excitatory amino acid transporters (EAATs) are the major transport mechanisms for extracellular glutamate removal in the central nervous system (CNS). The primary function assigned to EAATs is the maintenance of low extracellular glutamate levels, thus allowing glutamate to be used as a signaling molecule in the brain and to avoid excitotoxicity. However, glutamate has other recognized functions. For instance, it is a key anaplerotic substrate for the tricarboxylic acid (TCA) cycle, as it can be converted to α-ketoglutarate by transaminases or glutamate dehydrogenase. Furthermore, glutamate is a precursor of the main antioxidant glutathione, which plays a pivotal role in preventing oxidative cell death. Therefore, glutamate signaling/use is at the crossroad of multiple metabolic pathways and accordingly, it can influence a plethora of cell functions, both in health and disease. Here, we provide an overview of the main functions of glutamate and its transport systems, analyzing its role as a neurotransmitter and at the same time, the possible metabolic fates it can undergo in the intracellular milieu. Specifically, the metabolic role of glutamate and the molecular machinery proposed to metabolically support its transport will be further analyzed.
STUDY OF THE PREVALENCE OF HEPATITIS B,C AND HIV INFECTION IN HEMOPHILIA AND THALASSEMIA POPULATION OF YAZD

Background and Objectives As hemophilia and thalassemia patients are in regular need of blood or blood products, they are exposed to blood units of hundreds or even thousands of blood donors; therefore, they are at a high risk of acquiring blood transmissible infections. Different prevalent rates of hepatitis B, C and HIV infection in hemophilia and thalassemia populations have been reported in various regions of Iran and the world. The present study was conducted to determine the prevalence of hepatitis B, C and HIV infection in hemophilia and thalassemia population of Yazd province
Fabrication of BaTiO3-Loaded Graphene Nanosheets-Based Polyarylene Ether Nitrile Nanocomposites with Enhanced Dielectric and Crystallization Properties

In this paper, barium titanate@zinc phthalocyanine (BT@ZnPc) and graphene oxide (GO) hybrids (BT@ZnPc-GO) connected by calcium ions are prepared by electrostatic adsorption, and then introduced into polyarylene ether nitrile (PEN) to obtain composites with enhanced dielectric and crystallization properties. Scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) results confirm the successful fabrication of the BT@ZnPc-GO. BT@ZnPc-GO and PEN composites (BT@ZnPc-GO/PENs) are obtained through the solution-casting method. BT@ZnPc-GO demonstrates well compatibility with PEN due to its unique structure and the organic layer of ZnPc at the periphery of BT. On the other hand, BT and GO contribute a high dielectric constant of the composites obtained. In addition, the BT@ZnPc-GO can be used as a nucleating agent to promote the crystallization of the nanocomposites. As a result, The BT@ZnPc-GO/PEN exhibits a dielectric constant of 6.4 at 1 kHz and crystallinity of 21.03% after being isothermally treated at 280 °C for 2 h at the GO content of 0.75 wt %. All these results indicate that the hybrid nanofiller BT@ZnPc-GO can be an effective additive for preparing high-performance PEN-based nanocomposites.
The Adjustment Disorder Diagnosis, Its Importance to Liaison Psychiatry, and its Psychobiology

Adjustment Disorder (AD) is one of the most common psychiatric diagnoses employed. In fact, it is the most frequent diagnosis utilized for psychiatric disorders in the military and in children, and is often utilized in the consultation-liaison medical setting. However, it is acknowledged that the diagnosis is not reliable, it cannot be validated, and it has an important degree of subjective consideration in its use. Commonly used screening tools like the Hamilton and Beck Depression Scales do not give an assessment of AD. Furthermore, its use is accompanied with descriptors of depression, anxiety, mixed affects, etc., so that it crosses over several areas of psychiatric dysfunction. It does allow the placement of a patient within a psychiatric diagnosis when they do not reach criteria for a major psychiatric nomenclature. To date, biological studies have not been reported. It is not known if AD with depression is closer to the biological characteristics of depression, or AD with anxiety would have similar characteristics to that seen with major anxiety. It is also not known if AD has a biological signature that would make them an entity with common features, or if they may be more closely allied biologically with the descriptor that accompanies them. Nevertheless, AD is an important category in any psychiatric lexicon and warrants further study and biological understanding.
Genome-wide histone modification profiling of inner cell mass and trophectoderm of bovine blastocysts by RAT-ChIP

Chromatin immunoprecipitation coupled with next-generation sequencing (ChIP-seq) has revolutionized our understanding of chromatin-related biological processes. The method, however, requires thousands of cells and has therefore limited applications in situations where cell numbers are limited. Here we describe a novel method called Restriction Assisted Tagmentation Chromatin Immunoprecipitation (RAT-ChIP) that enables global histone modification profiling from as few as 100 cells. The method is simple, cost-effective and takes a single day to complete. We demonstrate the sensitivity of the method by deriving the first genome-wide maps of histone H3K4me3 and H3K27me3 modifications of inner cell mass and trophectoderm of bovine blastocyst stage embryos.
Illness Perceptions, Self-Care Management, and Clinical Outcomes According to Age-Group in Korean Hemodialysis Patients

Illness perception, formed in social-cultural contexts, is the driving force for health behavior. Age difference can affect health outcomes due to its association with socioeconomic status. The purpose of this study is to determine the relationship between illness perception, self-care management, and clinical outcomes according to the age group in hemodialysis patients. A cross-sectional study was conducted. Using the Brief Illness Perception Questionnaire (BIPQ) and Patient Activation Measure (PAM) 13, clinical outcomes, such as serum phosphorus, potassium, hemoglobin, and albumin were investigated in maintenance hemodialysis patients. Illness perception, self-care management, and clinical outcomes in 189 hemodialysis patients were different according to age group. Younger hemodialysis patients had the lowest illness perception and the highest serum phosphorus. Illness perception was associated with self-care management and clinical outcomes. After the adjusted age, the association between illness perception and self-care management and the association between illness perception and phosphorus were reduced, while the association between illness perception and potassium increased. Uncontrolled phosphorus in younger hemodialysis patients can increase the risk of cardiovascular complications and mortality. To improve self-care management and clinical outcomes in hemodialysis patients, reconstruction, or expansion of illness perception needs to be differentiated according to age group.
Facile One-Step Synthesis and Enhanced Optical Nonlinearity of Graphene-γMnS

Graphene-γMnS were prepared by facile one-step hydrothermal method. Structures and properties of samples were explored by characterization, and nonlinear optical (NLO) enhancement of nanocomposites (NCs) was fully studied. Nanoparticles and NCs were tested at 532 nm by a Z-scan technique. With γMnS attached in G layers, NLO susceptibility of graphene-γMnS was greatly improved under single-pulse laser irradiation compared with G and γMnS. The nonlinearity enhanced was attributed to local field effect and charge transfer between γMnS and graphene layers. And NLO property enhancement was restricted by non-radiative defects in graphene-γMnS. Exploring the mechanism of nonlinearity enhancement was significant for fabrication of NLO devices. However, the optical nonlinearity decreased first and then increased with further increased addition of GO, because the dispersion of γMnS attached on graphene surface might make density of sp2 fragment and defects changed. Graphene-γMnS exhibited excellent and tunable NLO performance, illustrating that NCs materials have potential applications in NLO devices.
Synthesis of Sub 3 nm-Sized Uniform Magnetite Nanoparticles Using Reverse Micelle Method for Biomedical Application

We report a synthetic method for small and uniform Fe3O4 (magnetite) nanoparticles under mild conditions. Spherical sub-3 nm-sized magnetite nanoparticles were prepared via reverse micelles composed of oleylamine, F127, xylene, and water for the reaction of iron(III) stearate with hydrazine at a reaction temperature of 90 °C in air atmosphere. These synthesized magnetite nanoparticles exhibited good size uniformity. By controlling experimental conditions, we could easily control both size and size uniformity of these magnetite nanoparticles. We further investigated whether Fe3O4 could be used in biomedical applications. Cytotoxicity of Fe3O4 was evaluated with human adipose-derived stem cells (hADSCs). Our results showed that the number of hADSCs did not significantly decrease when these cells were treated with Fe3O4 nanoparticles at a concentration of up to 9 μg/mL. Apoptotic activity and cell proliferation of hADSCs treated with Fe3O4 nanoparticles were similar to those of hADSCs without any treatment. This novel method could be used for synthesizing uniform and biocompatible Fe3O4 nanoparticles with further biomedical applications.
Cluster randomised controlled trial to investigate the effectiveness and cost-effectiveness of a Structured Health Intervention For Truckers (the SHIFT study): a study protocol

Introduction Heavy goods vehicle (HGV) drivers exhibit higher than nationally representative rates of obesity, and obesity-related comorbidities, in comparison to other occupational groups. Their working environments are not conducive to a healthy lifestyle, yet there has been limited attention to health promotion efforts. We have developed a Structured Health Intervention For Truckers (the SHIFT programme), a multicomponent, theory-driven, health-behaviour intervention targeting physical activity, diet and sitting in HGV drivers. This paper describes the protocol of a cluster randomised controlled trial designed to evaluate the effectiveness and cost-effectiveness of the SHIFT programme. Methods and analysis HGV drivers will be recruited from a logistics company in the UK. Following baseline measurements, depots (clusters) will be randomised to either the SHIFT intervention or usual-care control arm (12 clusters in each, average cluster size 14 drivers). The 6-month SHIFT intervention includes a group-based interactive 6-hour education session, worksite champion support and equipment provision (including a Fitbit and resistance bands/balls to facilitate a ‘cab workout’). Objectively measured total daily physical activity (steps/day) will be the primary outcome. Secondary outcomes include: objectively measured light-intensity physical activity and moderate-to-vigorous physical activity, sitting time, sleep quality, markers of adiposity, blood pressure and capillary blood markers (glycated haemoglobin, low-density lipoprotein-cholesterol, high-density lipoprotein-cholesterol). Self-report questionnaires will examine fruit and vegetable intake, psychosocial and work outcomes and mental health. Quality of life and resources used (eg, general practitioner visits) will also be assessed. Measures will be collected at baseline, 6 and 12 months and analysed according to a modified intention-to-treat principle. A full process evaluation and cost-effectiveness analysis will be conducted. Ethics and dissemination Ethical approval was obtained from the Loughborough University Ethics Approvals Sub-Committee (reference: R17-P063). Study findings will be disseminated through publications in research and professional journals, through conference presentations and to relevant regional and national stakeholders via online media and at dissemination events. Trial registration number ISRCTN10483894.