Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations

The aggregation in a solution of charged dyes such as Rhodamine B (RB) is significantly affected by the type of counterion, which can determine the self-assembled structure that in turn modulates the optical properties. RB aggregation can be boosted by hydrophobic and bulky fluorinated tetraphenylborate counterions, such as F5TPB, with the formation of nanoparticles whose fluorescence quantum yield (FQY) is affected by the degree of fluorination. Here, we developed a classical force field (FF) based on the standard generalized Amber parameters that allows modeling the self-assembling process of RB/F5TPB systems in water, consistent with experimental evidence. Namely, the classical MD simulations employing the re-parametrized FF reproduce the formation of nanoparticles in the RB/F5TPB system, while in the presence of iodide counterions, only RB dimeric species can be formed. Within the large, self-assembled RB/F5TPB aggregates, the occurrence of an H-type RB-RB dimer can be observed, a species that is expected to quench RB fluorescence, in agreement with the experimental data of FQY. The outcome provides atomistic details on the role of the bulky F5TPB counterion as a spacer, with the developed classical FF representing a step towards reliable modeling of dye aggregation in RB-based materials

Radiomics : the facts and the challenges of image analysis

Radiomics is an emerging translational field of research aiming to extract mineable high-dimensional data from clinical images. The radiomic process can be divided into distinct steps with definable inputs and outputs, such as image acquisition and reconstruction, image segmentation, features extraction and qualification, analysis, and model building. Each step needs careful evaluation for the construction of robust and reliable models to be transferred into clinical practice for the purposes of prognosis, non-invasive disease tracking, and evaluation of disease response to treatment. After the definition of texture parameters (shape features; first-, second-, and higher-order features), we briefly discuss the origin of the term radiomics and the methods for selecting the parameters useful for a radiomic approach, including cluster analysis, principal component analysis, random forest, neural network, linear/logistic regression, and other. Reproducibility and clinical value of parameters should be firstly tested with internal cross-validation and then validated on independent external cohorts. This article summarises the major issues regarding this multi-step process, focussing in particular on challenges of the extraction of radiomic features from data sets provided by computed tomography, positron emission tomography, and magnetic resonance imaging

Harnack inequality and regularity for degenerate quasilinear elliptic equations

We prove Harnack inequality and local regularity results for weak solutions of a quasilinear degenerate equation in divergence form under natural growth conditions. The degeneracy is given by a suitable power of a strong $A_\infty$ weight. Regularity results are achieved under minimal assumptions on the coefficients and, as an application, we prove $C^{1,\alpha}$ local estimates for solutions of a degenerate equation in non divergence form

miRNA-126 Orchestrates an Oncogenic Program in B Cell Precursor Acute Lymphoblastic Leukemia

MicroRNA (miRNA)-126 is a known regulator of hematopoietic stem cell quiescence. We engineered murine hematopoiesis to express miRNA-126 across all differentiation stages. Thirty percent of mice developed monoclonal B cell leukemia, which was prevented or regressed when a tetracycline-repressible miRNA-126 cassette was switched off. Regression was accompanied by upregulation of cell-cycle regulators and B cell differentiation genes, and downregulation of oncogenic signaling pathways. Expression of dominant-negative p53 delayed blast clearance upon miRNA-126 switch-off, highlighting the relevance of p53 inhibition in miRNA-126 addiction. Forced miRNA-126 expression in mouse and human progenitors reduced p53 transcriptional activity through regulation of multiple p53-related targets. miRNA-126 is highly expressed in a subset of human B-ALL, and antagonizing miRNA-126 in ALL xenograft models triggered apoptosis and reduced disease burden

Predictors of Long-Term Opioid Use Among Patients With Painful Lumbar Spine Conditions

Our objective was to assess predictors of self-reported opioid use among patients with back pain due to lumbar disc herniation or spinal stenosis. Data was from the Spine Patient Outcomes Research Trial (SPORT), a multi-site observational study and randomized trial. We examined characteristics shown or hypothesized to be associated with opioid use. Using generalized estimating equations, we modeled associations of each potential predictor with opioid use at 12 and 24 months. At baseline, 42% of participants reported opioid use. Of these participants, 25% reported continued use at 12 months and 21% reported use at 24 months. In adjusted models, smoking (RR=1.9, p<0.001 at 12 months; RR=1.5, p=0.043 at 24 months) and non-surgical treatment (RR=1.7, p<0.001 at 12 months; RR=1.8, p=0.003 at 24 months) predicted long-term opioid continuation. Among participants not using opioids at baseline, incident use was reported by 8% at 12 and 7% at 24 months. We found no significant predictors of incident use at 12 or 24 months in the main models. In conclusion, nonsurgical treatment and smoking independently predicted long-term continued opioid use. To our knowledge, this is the first longitudinal study to assess predictors of long-term and incident opioid use among patients with lumbar spine conditions

JCMT POL-2 and BISTRO Survey Observations of Magnetic Fields in the L1689 Molecular Cloud

We present 850 μm polarization observations of the L1689 molecular cloud, part of the nearby Ophiuchus molecular cloud complex, taken with the POL-2 polarimeter on the James Clerk Maxwell Telescope (JCMT). We observe three regions of L1689: the clump L1689N which houses the IRAS 16293-2433 protostellar system, the starless clump SMM-16, and the starless core L1689B. We use the Davis–Chandrasekhar–Fermi method to estimate plane-of-sky field strengths of 366 ± 55 μG in L1689N, 284 ± 34 μG in SMM-16, and 72 ± 33 μG in L1689B, for our fiducial value of dust opacity. These values indicate that all three regions are likely to be magnetically transcritical with sub-Alfvénic turbulence. In all three regions, the inferred mean magnetic field direction is approximately perpendicular to the local filament direction identified in Herschel Space Telescope observations. The core-scale field morphologies for L1689N and L1689B are consistent with the cloud-scale field morphology measured by the Planck Space Observatory, suggesting that material can flow freely from large to small scales for these sources. Based on these magnetic field measurements, we posit that accretion from the cloud onto L1689N and L1689B may be magnetically regulated. However, in SMM-16, the clump-scale field is nearly perpendicular to the field seen on cloud scales by Planck, suggesting that it may be unable to efficiently accrete further material from its surroundings

The JCMT BISTRO Survey: Evidence for Pinched Magnetic Fields in Quiescent Filaments of NGC 1333

We investigate the internal 3D magnetic structure of dense interstellar filaments within NGC 1333 using polarization data at 850 μm from the B-fields In STar-forming Region Observations survey at the James Clerk Maxwell Telescope. Theoretical models predict that the magnetic field lines in a filament will tend to be dragged radially inward (i.e., pinched) toward the central axis due to the filament's self-gravity. We study the cross-sectional profiles of the total intensity (I) and polarized intensity (PI) of dust emission in four segments of filaments unaffected by local star formation that are expected to retain a pristine magnetic field structure. We find that the filaments' FWHMs in PI are not the same as those in I, with two segments being appreciably narrower in PI (FWHM ratio ≃0.7–0.8) and one segment being wider (FWHM ratio ≃1.3). The filament profiles of the polarization fraction (P) do not show a minimum at the spine of the filament, which is not in line with an anticorrelation between P and I normally seen in molecular clouds and protostellar cores. Dust grain alignment variation with density cannot reproduce the observed P distribution. We demonstrate numerically that the I and PI cross-sectional profiles of filaments in magnetohydrostatic equilibrium will have differing relative widths depending on the viewing angle. The observed variations of FWHM ratios in NGC 1333 are therefore consistent with models of pinched magnetic field structures inside filaments, especially if they are magnetically near-critical or supercritical

The JCMT BISTRO-2 Survey: The Magnetic Field in the Center of the Rosette Molecular Cloud

We present the first 850 μm polarization observations in the most active star-forming site of the Rosette Molecular Cloud (d ~ 1.6 kpc) in the wall of the Rosette Nebula, imaged with the SCUBA-2/POL-2 instruments of the James Clerk Maxwell telescope, as part of the B-Fields In Star-forming Region Observations 2 (BISTRO-2) survey. From the POL-2 data we find that the polarization fraction decreases with the 850 μm continuum intensity with α = 0.49 ± 0.08 in the p ∝ I−α relation, which suggests that some fraction of the dust grains remain aligned at high densities. The north of our 850 μm image reveals a "gemstone ring" morphology, which is a ~1 pc diameter ring-like structure with extended emission in the "head" to the southwest. We hypothesize that it might have been blown by feedback in its interior, while the B-field is parallel to its circumference in most places. In the south of our SCUBA-2 field the clumps are apparently connected with filaments that follow infrared dark clouds. Here, the POL-2 magnetic field orientations appear bimodal with respect to the large-scale Planck field. The mass of our effective mapped area is ~174 M⊙, which we calculate from 850 μm flux densities. We compare our results with masses from large-scale emission-subtracted Herschel 250 μm data and find agreement within 30%. We estimate the plane-of-sky B-field strength in one typical subregion using the Davis–Chandrasekhar–Fermi technique and find 80 ± 30 μG toward a clump and its outskirts. The estimated mass-to-flux ratio of λ = 2.3 ± 1.0 suggests that the B-field is not sufficiently strong to prevent gravitational collapse in this subregion

Electronic and paper versions of a faces pain intensity scale: concordance and preference in hospitalized children

<p>Abstract</p> <p>Background</p> <p>Assessment of pain in children is an important aspect of pain management and can be performed by observational methods or by self-assessment. The Faces Pain Scale-Revised (FPS-R) is a self-report tool which has strong positive correlations with other well established self-report pain intensity measures. It has been recommended for measuring pain intensity in school-aged children (4 years and older). The objective of this study is to compare the concordance and the preference for two versions, electronic and paper, of the FPS-R, and to determine whether an electronic version of the FPS-R can be used by children aged 4 and older.</p> <p>Methods</p> <p>The study is an observational, multicenter, randomized, cross-over, controlled, open trial. Medical and surgical patients in two pediatric hospitals (N = 202, age 4-12 years, mean age 8.3 years, 58% male) provided self-reports of their present pain using the FPS-R on a personal digital assistant (PDA) and on a paper version. Paper and electronic versions of the FPS-R were administered by a nurse in a randomized order: half the patients were given the PDA version first and the other half the paper version first. The time between the administrations was planned to be less than 30 minutes but not simultaneous. Two hundred and thirty-seven patients were enrolled; 35 were excluded from analysis because of misunderstanding of instructions or abnormal time between the two assessments.</p> <p>Results</p> <p>Final population for analysis comprised 202 children. The overall weighted Kappa was 0.846 (95%CI: 0.795; 0.896) and the Spearman correlation between scores on the two versions was r_s= 0.911 (p < 0.0001). The mean difference of pain scores was less than 0.1 out of 10, which was neither statistically nor clinically significant; 83.2% of children chose the same face on both versions of the FPS-R. Preference was not modified by order, sex, age, hospitalization unit (medical or surgical units), or previous analgesics. The PDA was preferred by 87.4% of the children who expressed a preference.</p> <p>Conclusion</p> <p>The electronic version of the FPS-R can be recommended for use with children aged 4 to 12, either in clinical trials or in hospitals to monitor pain intensity.</p

JINGLE – IV. Dust, H I gas and metal scaling laws in the local Universe

Scaling laws of dust, Hi gas and metal mass with stellar mass, specific star formation rate and metallicity are crucial to our understanding of the buildup of galaxies through their enrichment with metals and dust. In this work, we analyse how the dust and metal content varies with specific gas mass (MHI/M?) across a diverse sample of 423 nearby galaxies. The observed trends are interpreted with a set of Dust and Element evolUtion modelS (DEUS) – including stellar dust production, grain growth, and dust destruction – within a Bayesian framework to enable a rigorous search of the multi-dimensional parameter space. We find that these scaling laws for galaxies with −1.0 . logMHI/M? . 0 can be reproduced using closed-box models with high fractions (37-89%) of supernova dust surviving a reverse shock, relatively low grain growth efficiencies (=30-40), and long dust lifetimes (1-2Gyr). The models have present-day dust masses with similar contributions from stellar sources (50-80%) and grain growth (20-50%). Over the entire lifetime of these galaxies, the contribution from stardust (>90%) outweighs the fraction of dust grown in the interstellar medium (<10%). Our results provide an alternative for the chemical evolution models that require extremely low supernova dust production efficiencies and short grain growth timescales to reproduce local scaling laws, and could help solving the conundrum on whether or not grains can grow efficiently in the interstellar medium