Miracle-dz/UniFAR-FTUs huggingface dataset:
Toward a better reliability in the deconvolution of SIMS depth profiles

In this paper, the problem of the deconvolution of SIMS depth profiles is addressed. In particular, the hypotheses that are necessary for the deconvolution to be possible (in the actual state of the art) in the case of the SIMS signal are reviewed. Then, the principle of regularization, which is a mandatory step in the resolution of an ill-posed problem, is clarified. Two regularization methods used in the field of SIMS analysis are compared: Miller regularization and maximum entropy regularization. In a second part the study of a possible deconvolution, using a depth resolution function (DRF) that is not the DRF that has experimentally convolved the profile, is justified and theoretically addressed. Two cases arise: the DRF used in the deconvolution process is either thinner than the experimental DRF or it is thicker. It is shown that deconvolution using a DRF that is wider than the DRF that actually convolved the profile is possible, and must be taken into consideration. Some examples of simulated deconvolutions with a false DRF are given, and some tools are proposed that are theoretically able to detect a problem when the DRF used in the deconvolution process is wider than the real DRF. In the last section, an example of experimental deconvolution shows that the deconvolution process is able to provide reliable information. In particular, deconvolution of a SIMS analysis conducted at 5.5 keV O2+ and 42.4° incidence (in a Cameca IMS 3/4f) reveals some features of the sample that require at least 1 keV O2+ and 60° primary beam incidence to be detected experimentally. © 1998 John Wiley & Sons, Ltd.
DFT Simulations of Titanium Oxide Films on Titanium Metal

Titanium surfaces in implants are covered by titanium oxide passivation layers of 1.5–25 nm thickness. At the surface TiO2 phases form with anatase and rutile structures. To improve the understanding of the initial phases of passivation, we investigated the interfaces between Ti and the most common oxide surfaces rutile (110) and (100) and anatase (101) and (001). Simulations based on a DFT+U approach revealed the presence of metal induced gap states (MIGS) caused by oxygen atoms that have moved toward the metal phase. We discuss the structural disorder around the interface and its effect on the oxide crystal structure. The computed work of separation is 3.4–4.3 J/m2 which is much higher than the surface energies of Ti metal and TiO2 and results in a negative interface energy. Charge transfer takes place from the metal to the oxide and appears to be less dependent on the oxide phase than on the thickness of the slabs. We computed a charge transfer of 0.07 e per atom, most of which remains located in the f.
Optimizing the Production of Bacterial Cellulose in Surface Culture: A Novel Aerosol Bioreactor Working on a Fed Batch Principle (Part 3)

Parts 1 and 2 have shown that the rate of production of bacterial cellulose stagnates because of the limitation of substrate supply and a wall effect, which hinders the removal of the product from the active cell zone. This paper demonstrates, how both of these problems can be eliminated in a novel bioreactor, where the substrates (mainly glucose and oxygen) are both fed directly to the surface of the product cellulose. This involves the generation of an aerosol spray of glucose and its even distribution to the living bacteria on the medium‐air interface. The apparatus was built and operated up to eight weeks with a constant rate of cellulose production. The aerosol system provides the basis for an economic production of bacterial cellulose in surface culture.
Critical factors affecting an efficient micropropagation protocol for Pyrus spinosa Forskk.

Almond-leaved tree is one of the most commonly found native forest species in Greece, exhibiting valuable properties and thus suitable for multipurpose silviculture. Several critical factors were studied for the development of a successful micropropagation protocol of Pyrus spinosa juvenile trees. Newly immerged shoots of three-year-old plants, after their surface sterilization, were established on a modified MS nutrient medium (thiamine-HCl 1 mg L-1, nicotinic acid 1 mg L-1, pyridoxine-HCl 1 mg L-1) with 5 μΜ ΒΑ. Clean explants were transferred in the multiplication stage on a novel medium (Pear Medium 1), by adding 10 μΜ ΒΑ especially developed for Pyrus species. Due to poor culture development, the effect of photosynthetic photon flux density (PPFD) on the improvement of regeneration was studied. The exposure of explants to 10 μmol m-2 s-1 for the first two weeks followed by exposure to 35 μmol m-2 s-1 for another two weeks, was proved essential for the good development of cultures promoting both multiplication and elongation of explants. For further enhancement of shoot regeneration, the use of Pear Medium 1 with five different combinations of growth regulators was tested (BA, IBA). The most beneficial for the development of good quality shoots was 5 μΜ ΒΑ+0.0246 μΜ ΙΒΑ (4.67±0.40 new shoots per explant, elongation 1.28±0.13 cm). As multiplication was mainly based on axillary branching and the production of new shoots was still relatively low, the orientation of explants (horizontal vs upright position) in relation to the medium was investigated. Regeneration of shoots almost tripled, reaching 13.67 new shoots per explant in the case of horizontal orientation after the removal of the apical part (0.2 cm). The most successful rooting procedure (rooting: 83.33±5.89 %, root no: 6.20±0.49 roots per plantlet, root length: 0.56±0.05 cm) consisted of an initial stage of root induction maintaining microshoots in complete darkness for seven days. The rooting medium was a modified MS (1⁄2 NH4NO3, 1⁄2 KNO3) supplemented with 24.6 μΜ ΙΒΑ. Microshoots were subsequently transferred to a root development stage in the same rooting medium without auxin, exposed to 10 μmol m-2 s-1 for another four weeks. Successful acclimatization (87.5 %) was achieved after six weeks on perlite.
Impacts of a large invasive mammal on water quality in riparian ecosystems.

Wild pigs (Sus scrofa) are a highly invasive species in many regions of the world and can act as ecosystem engineers in areas where they are established. In riparian ecosystems, wild pigs may impact water quality parameters and introduce fecal bacteria, although previous studies have reported conflicting results. We propose four conditions that we believe are needed for an accurate assessment of wild pig impacts on water quality and address each one in our study. Water samples were collected between May 2018 and June 2019 in riparian watersheds on a privately-owned property in Alabama that was densely populated by wild pigs (treatment) and in watersheds at a nearby national forest without an established population. Samples were analyzed for concentrations of water quality parameters such as anions and cations, dissolved oxygen, total suspended solids, nitrogen, dissolved organic carbon, and Escherichia coli and other fecal coliforms. An additional 38 samples were analyzed using quantitative PCR for swine fecal bacteroidetes. At treatment watersheds, specific conductivity, concentrations of organic N and C, SO4 2- , and Ca2+ were between 2 to 11 times that of reference watersheds. E. coli values at treatment watersheds were 40 times reference watershed values. DNA from swine fecal bacteroidetes was detected in 70% of treatment samples and 0% of reference samples. Wild pigs are a threat to water quality in riparian areas and our results indicate that it may be important to control populations upstream of major drinking water sources and recreational areas. This article is protected by copyright. All rights reserved.
Selective Surface Flow Membrane for Gas Separation

The selective surface flow membrane is a nanoporous carbon membrane which separates gas mixtures by a selective adsorption–surface diffusion–desorption mechanism. It selectively permeates the larger and the more polar components of a feed gas mixture. The separation characteristics of several different gas mixtures by the membrane are described. The membrane has been field-tested at a refinery site for separation of hydrocarbon–hydrogen mixtures.
DFT modelling of hydrogen on Cu(110)- and (111)-type clusters

Density Functional Theory (DFT) calculations using gaussian 98 have been performed on hydrogen adsorbed on clusters representing the (110) and (111) surfaces of Cu. Clusters were constructed to model different adsorption sites, and at least two different size clusters were used for each site. On the (111) surface, hydrogen prefers to adsorb in a hollow site, though with the hcp variant being favoured by the adsorption energy, and the fcc alternative by the vibrational frequencies. On the (110) surface, the "fcc" site on a (1 2 2) reconstructed surface is preferred.
Performance evaluation of stool DNA methylation tests in colorectal cancer screening: a systematic review and meta‐analysis

There is not sufficient evidence about whether stool DNA methylation tests allow prioritizing patients to colonoscopy. Due to the COVID‐19 pandemic, there will be a wait‐list for rescheduling colonoscopies once the mitigation is lifted. The aim of this meta‐analysis was to evaluate the accuracy of stool DNA methylation tests in detecting colorectal cancer.
Modelling phase changes in the potassium titanyl phosphate system

Potassium titanyl phosphate (KTiOPO4 , KTP) is the principal member of a group of isomorphous compounds, some of which have important non-linear optical properties. These structures have the acentric space group symmetry Pna21 and are ferroelectric. KTP itself undergoes a first-order, displacive isosymmetric phase change at 5.8 GPa at ambient temperature, as well as a second-order, displacive, order–disorder change to a paraelectric phase, with space group Pnan, under ambient pressure at 934 °C. Eight of these materials have been modelled using the static lattice modelling techniques in the GULP code. The materials modelled are: potassium, thallium and rubidium titanyl phosphates; potassium stannyl phosphate; potassium vanadyl phosphate; and potassium, rubidium and caesium titanyl arsenates. The modelling of the effects of pressure (based on the ambient pressure structures only) reproduces the isosymmetric phase change in KTP, and predicts similar pressure-driven phase changes for seven of the eight structures; only CsTiOAsO4 fails to demonstrate this phase change. Certain of the high pressure structures modelled are rotationally twinned relative to their ambient pressure progenitor structures, in a manner in accord with suggestions in the literature. It did not prove possible to model the temperature-driven phase change using a static, ordered model; this problem is ascribed to disorder in the cation positions in the high-temperature phase.
Aedes aegypti post-emergence transcriptome: Unveiling the molecular basis for the hematophagic and gonotrophic capacitation

The adult females of Aedes aegypti mosquitoes are facultative hematophagous insects but they are unable to feed on blood right after pupae emergence. The maturation process that takes place during the first post-emergence days, hereafter named hematophagic and gonotrophic capacitation, comprises a set of molecular and physiological changes that prepare the females for the first gonotrophic cycle. Notwithstanding, the molecular bases underlying mosquito hematophagic and gonotrophic capacitation remain obscure. Here, we investigated the molecular and biochemical changes in adult Ae. aegypti along the first four days post-emergence, prior to a blood meal. We performed a RNA-Seq analysis of the head and body, comparing male and female gene expression time courses. A total of 811 and 203 genes were differentially expressed, respectively in the body and head, and both body parts showed early, mid, and late female-specific expression profiles. Female-specific up-regulation of genes involved in muscle development and the oxidative phosphorylation pathway were remarkable features observed in the head. Functional assessment of mitochondrial oxygen consumption in heads showed a gradual increase in respiratory capacity and ATP-linked respiration as a consequence of induced mitochondrial biogenesis and content over time. This pattern strongly suggests that boosting oxidative phosphorylation in heads is a required step towards blood sucking habit. Several salivary gland genes, proteases, and genes involved in DNA replication and repair, ribosome biogenesis, and juvenile hormone signaling were up-regulated specifically in the female body, which may reflect the gonotrophic capacitation. This comprehensive description of molecular and biochemical mechanisms of the hematophagic and gonotrophic capacitation in mosquitoes unravels potentially new targets for vector control.
Theory of Elasticity in Two Dimensions and Its Application to Langmuir−Blodgett Films

The theory of elasticity in two-dimensional systems is discussed and applied to several specific cases of interest. In particular the elastic behavior of solid Langmuir−Blodgett films is reviewed and the appropriate elastic moduli are derived in terms of the Lame coefficients under several commonly encountered boundary conditions. These results are particularly useful in the interpretation of Langmuir−Blodgett film data.
Densely Sulfophenylated Segmented Copoly(arylene ether sulfone) Proton Exchange Membranes

Segmented copoly(arylene ether sulfone) membranes having densely sulfonated pendent phenyl blocks were synthesized by the coupling reaction of phenoxide-terminated oligomers with bis(4-hydroxyphenyl) sulfone and decafluorobiphenyl (DFBP), followed by postpolymerization sulfonation of the blocks containing pendent phenyl substituents. The coupling reaction was conducted at relatively low temperature by utilizing highly reactive DFBP to prevent any possible trans-etherification that would randomize the hydrophilic–hydrophobic sequences. Segmented copolymer molecular weights were reasonably high, as determined by viscosity measurements. Postsulfonation occurred selectively on the pendent phenyl substituent to yield hydrophilic blocks that were highly sulfonated in regular sequence on the linked phenyl rings. The resulting polymers gave transparent, flexible, and tough membranes by solution casting. Morphological observation by transmission electron microscopy (TEM) and atomic force microscopy (AFM) showed th.
Study of Micro-Arc Oxidation Process in Magnesium Surface

This study selected sodium silicate, sodium fluoride, glycerol hydroxyl acid, potassium hydroxide and phosphine oxide (LAP) as the stabilizer electrolyte, and then on micro-arc oxidation of magnesium with constant current density. The microstructure, corrosion resistance, chemical composition, structure and characterization of micro-arc oxidation film were determined by SEM and anodic oxidation methods. Experimental results indicated that the test pieces of magnesium would formed an silver-gray uniform densification oxide film on the surface by micro-arc oxidation treatment, and the corrosion resistance of magnesium film-formed had increased by potentiodynamic polarization curve testing.
Multimodal MRI Assessment of Thalamic Structural Changes in Earthquake Survivors

Moving from the central role of the thalamus in the integration of inner and external stimuli and in the implementation of a stress-related response, the objective of the present study was to investigate the presence of any MRI structural and volumetric changes of the thalamic structures in earthquake witnesses. Forty-one subjects were included, namely 18 university students belonging to the experimental earthquake-exposed group (8 males and 10 females, mean age 24.5 ± 1.8 years) and a control group of 23 students not living in any earthquake-affected areas at the time of the earthquake (14 males and 9 females, mean age 23.7 ± 2.0 years). Instrumental MRI evaluation was performed using a 3-Tesla scanner, by acquiring a three-dimensional fast spoiled gradient-echo (FSPGR) sequence for volumetric analysis and an EPI (echoplanar imaging) sequence to extract fractional anisotropy (FA) and apparent diffusion coefficient (ADC) values. As compared to the control one, the experimental group showed significantly lower gray matter volume in the mediodorsal nucleus of the left thalamus (p < 0.001). The dominant hemisphere thalamus in the experimental group showed higher mean ADC values and lower mean FA values as compared to the control group.
The Energy of the Hydrogen Molecule

A simple two‐parameter variational function has been used to calculate the energy of normal H2. The first parameter is the usual scale factor; the second parameter is a distance of displacement of the atomic orbitals (see Fig. 1). The best potential energy is obtained as approximately 96 kcal per mole for internuclear separation 1.45 a0. The behavior of the new parameter as a function of internuclear separation is discussed.
Hydrogen‐Bonded Layer‐by‐Layer Polymer Films

New developments in the area of hydrogen‐bonded layer‐by‐layer assembly composed of weak polyelectrolytes are reviewed, with emphasis on self‐assembly in an aqueous environment. Advances in fundamental understanding of polymer layering at surfaces are addressed. The effects of molecular weight of polymers, ionic strength, pH, and temperature on growth and post‐self‐assembly response of hydrogen‐bonded films are summarized and contrasted with trends known for electrostatically assembled films. Deposition of hydrogen‐bonded films onto particulate substrates and properties of produced capsules are discussed. Strategies to stabilize hydrogen‐bonded multilayers at neutral and basic pH through crosslinking and response properties of produced ultrathin hydrogel films deposited onto flat substrates or comprising the wall of capsules are also described. The potential of hydrogen‐bonding self‐assembly in surface modification and functionalization, in construction of responsive functional containers and membranes, or as solid‐state matrices demonstrating superior ion conductivity make these materials promising for future biomedical and device applications.
Tryptophan 2,3‐dioxygenase in tumor cells is associated with resistance to immunotherapy in renal cell carcinoma

Indoleamine 2,3‐dioxygenase 1 (IDO1) is a key enzyme associated with immunomodulation through its regulation of the tryptophan‐kynurenine (Kyn) pathway in advanced cancers, including metastatic renal cell carcinoma (mRCC). However, the failure of IDO1 inhibitors when used in combination with immune checkpoint inhibitors (ICIs), as observed in clinical trials, raises a number of questions. This study aimed to investigate the association of tryptophan 2,3‐dioxygenase (TDO) and IDO1 with cancer development and resistance to immunotherapy in patients with RCC. In our analysis of RCC tissue samples, tissue Kyn levels were elevated in advanced‐stage RCC and correlated well with TDO expression levels in RCC tumor cells. In patients with mRCC, TDO rather than IDO1 was expressed in RCC tumor cells, showing a strong association with Kyn expression. Furthermore, immunohistochemical staining of TDO was strongly associated with the staining intensity of forkhead box P3, as well as ICI therapy response and survival in patients with mRCC. Our study is the first to show that TDO expression in tumor tissues is associated with progression and survival, confirming its potential as a predictive biomarker of primary resistance to immunotherapy in patients with mRCC. Our findings suggest that strategies aimed at inhibiting TDO, rather than IDO1, in combination with ICI therapy may aid in the control of mRCC progression.
Prevention programmes for children of parents with a mood/anxiety disorder: Systematic review of existing programmes and meta‐analysis of their efficacy

Objectives To systematically describe the characteristics and techniques of prevention programmes for children of parents with mood/anxiety disorders. In addition, recruitment approaches and difficulties were identified and a meta‐analysis was conducted to examine the efficacy of these prevention programmes. Methods Randomized controlled trials assessing the efficacy of a prevention programme for children (6–25 years) of parents with mood and/or anxiety disorders were included. A systematic literature search was conducted in PubMed, PsychINFO, and CENTRAL from the earliest record to March 2019. In addition, programme manuals of identified prevention programmes were requested for a content analysis. Results Twenty‐two articles containing eight unique prevention programmes involving 1,325 subjects were identified. Programmes varied in the number and types of techniques, but all provided psychoeducation. Results suggested that recruitment via clinicians was more successful than recruitment via health maintenance organization databases. In a meta‐analysis, a significant risk difference was found in favour of prevention programmes on the risk of developing a depressive/anxiety disorder in offspring at short‐term (9–18 months follow‐up; RR = 0.37, 95% CI [0.21; 0.66]) and long‐term follow‐up (24 months or longer follow‐up; RR = 0.71, 95% CI [0.57; 0.87] and on symptom levels in offspring at post‐intervention (SMD = −0.19, 95% CI [−0.36; −0.02]) and at 12‐months follow‐up (SMD = −0.31, 95% CI [−0.57; −0.06]). Conclusions The prevention programmes combined psychoeducational elements with skills training and/or cognitive‐behavioural therapy elements. The recruitment process and the content of these programmes are sometimes insufficiently described. Nevertheless, they appear to be effective, indicating a need to further examine how these programmes exactly work and for whom. Practitioner points Preventive interventions for children of parents with mood/anxiety disorders appear to be effective in preventing these disorders in offspring. Available preventive intervention programmes focus mostly on psychoeducation, cognitive‐behavioural therapy, and family processes. More effort should be made into describing preventive interventions so that they can be easily implemented by practitioners. Studies should further examine why and for whom preventive interventions for children of parents with mood/anxiety disorders are effective.
Virtual prism adaptation for spatial neglect: A double-blind study

ABSTRACT Prismatic adaptation (PA) with wedge prisms is a non-invasive technique used in the rehabilitation of patients suffering from spatial neglect. Unfortunately, as for many behavioural intervention techniques, it is nearly impossible to achieve adequate blinding using wedge prisms, and the potential benefit of PA in the rehabilitation of neglect remains controversial. In order to study an alternative to wedge prism, we examine whether virtual PA at different degrees of deviation may alleviate signs of neglect in a double-blind design. Fifteen neglect patients participated in three adaptation sessions, which differed by the degree of deviation (0°, 15°, or 30°). Performance in line bisection and item cancellation tasks was measured in virtual reality immediately before and after adaptation. Session allocation was concealed from patients and the examiner. Despite the presence of robust, dose-dependent effects of virtual PA on Open-Loop Pointing (OLP), no transfer to line bisection and item cancellation tests were observed. None of the patients were aware of differences between sessions. Virtual PA did not result in visuo-motor transfer effects despite inducing significant adaptation effects in OLP. Together with recent negative findings of randomized-controlled trials, these findings cast doubt on the general efficacy of PA as a rehabilitation method of spatial neglect.
Synthesis of Fluorenebisphenoxy Derivatives by Acid-sulfur Compound Catalyzed Condensation Reaction

An efficient method for the synthesis of fluorenebisphenoxy derivatives from fluorenone and phenoxy compounds is successfully performed by the combined use of concentrated sulfuric acid as catalyst and 3-mercaptopropionic acid as co-catalyst. Several fluorenebisphenoxy derivatives are obtained in good yields by this one-step reaction.