Miracle-dz/UniFAR-FTUs huggingface dataset:
SMMRNA: a database of small molecule modulators of RNA

We have developed SMMRNA, an interactive database, available at http://www.smmrna. org, with special focus on small molecule ligands targeting RNA. Currently, SMMRNA consists of ∼770 unique ligands along with structural images of RNA molecules. Each ligand in the SMMRNA contains information such as Kd, Ki, IC50, ΔTm, molecular weight (MW), hydrogen donor and acceptor count, XlogP, number of rotatable bonds, number of aromatic rings and 2D and 3D structures. These parameters can be explored using text search, advanced search, substructure and similarity-based analysis tools that are embedded in SMMRNA. A structure editor is provided for 3D visualization of ligands. Advance analysis can be performed using substructure and OpenBabel-based chemical similarity fingerprints. Upload facility for both RNA and ligands is also provided. The physicochemical properties of the ligands were further examined using OpenBabel descriptors, hierarchical clustering, binning partition and multidimensional scaling. We have also generated a 3D conformation database of ligands to support the structure and ligand-based screening. SMMRNA provides comprehensive resource for further design, development and refinement of small molecule modulators for selective targeting of RNA molecules.
Experimental Studies of the No. 41 Primer and Ignition of 5.56-mm Ammunition

Understanding the underlying physics of the ballistic event is important to gun system design and in determining corrective measures necessary to address unexpected results (misfires, variations in muzzle velocity, projectiles stuck in-bore, etc.). The present study characterizes the output of the small-caliber primer (no. 41) in open-air and ballistic simulator experiments and full-scale gun firings. Through the analysis of high-speed digital photography data, pressure-time data and particles recovered from the primer, the small-caliber primer and ignition system have been characterized. The open-air experiments reveal the primer particle size, velocity, and composition. These data are used in a separate and parallel effort to develop a detailed primer model in which both gas and particle features are captured. A series of tests were also conducted using a ballistic simulator fixture. The fixture incorporates an acrylic chamber that simulates the 5.56-mm ammunition geometry. The primer output is characterized by measuring the pressure-time response within the simulator chamber. High-speed videos of flamespreading due to the primer indicate that the flame front penetrates no more than 40% of the propellant bed. In addition, there is evidence that the propellant bed is compressed in the region near the base of the projectile. Gun firings were conducted in which pressures were measured inside the chamber and at the case mouth. In-bore radar data were collected and correlated with the pressure-time response measured in the chamber. From these data, it was determined that the projectile begins to move into the gun tube at a pressure between 20 and 30 MPa. Case mouth pressures and projectile velocities were within the specifications for the M855 small-caliber round. The experimental work discussed herein is being used to validate a detailed small-caliber primer model and an ARL-NGEN CFD model. chamber reaches maximum pressure. At 52 µs, the light intensity has decreased but spread further into the chamber. Subsequent frames show the visible light steadily decreasing in intensity with slightly increased penetration into the propellant bed. The visible light appears to penetrate about 40% of the bed length (~12 mm).
Gender Differences in Early Maladaptive Schemas in a Treatment-Seeking Sample of Alcohol-Dependent Adults

The current study examined early maladaptive schemas among alcohol-dependent men and women and sought to determine whether men and women differed in their early maladaptive schemas. Using preexisting patient records of adults diagnosed with alcohol dependence from a residential treatment center in the Southeastern United States, from 2005 to 2010 (N = 854), results showed that women scored significantly higher than men on 14 of the 18 early maladaptive schemas assessed. Both women and men endorsed having a number of early maladaptive schemas, with four schemas being particularly prevalent across gender. Study limitations are noted and implications of these findings for treatment and future research are discussed.
A Framework and Guidelines for Context-Specific Theorizing in Information Systems Research

This paper discusses the value of context in theory development in information systems IS research. We examine how prior research has incorporated context in theorizing and develop a framework to classify existing approaches to contextualization. In addition, we expound on a decomposition approach to contextualization and put forth a set of guidelines for developing context-specific models. We illustrate the application of the guidelines by constructing and comparing various context-specific variations of the technology acceptance model TAM---i.e., the decomposed TAM that incorporates interaction effects between context-specific factors, the extended TAM with context-specific antecedents, and the integrated TAM that incorporates mediated moderation and moderated mediation effects of context-specific factors. We tested the models on 972 individuals in two technology usage contexts: a digital library and an agile Web portal. The results show that the decomposed TAM provides a better understanding of the contexts by revealing the direct and interaction effects of context-specific factors on behavioral intention that are not mediated by the TAM constructs of perceived usefulness and perceived ease of use. This work contributes to the ongoing discussion about the importance of context in theory development and provides guidance for context-specific theorizing in IS research.
Stoichiometric leverage: rapid 18F-aryltrifluoroborate radiosynthesis at high specific activity for click conjugation.

,values which are higher than those of most other radiotracers.Herein,weshowthefeasibilityofthismethodintermsofone-step labeling and click conjugation, along with experimentalproof of such high SAs.Propargylated arylborimidine 1 was synthesized accord-ing to previous reports as a shelf-stable B(dan)-protected
Strains Around Abutment Teeth with Different Attachments Used for Implant‐Assisted Distal Extension Partial Overdentures: An In Vitro Study

PURPOSE The aim of this study was to evaluate and compare strain around abutment teeth with different attachments used for implant-assisted distal extension partial overdentures (IADEPODs). MATERIALS AND METHODS A mandibular Kennedy class I acrylic model (remaining teeth from first premolar to first premolar) was constructed. A conventional partial denture was constructed over the model (control, group 1). Two laboratory implants were then placed bilaterally in the first molar areas parallel to each other and perpendicular to the residual ridge. Three additional experimental partial overdentures (PODs) were constructed and connected to the implants using ball (group 2), magnetic (group 3), and Locator (group 4) attachments. Three linear strain gauges were bonded buccal, lingual, and distal to the first premolar abutment tooth at the right (loading) and the left (nonloading) sides. For each group, a universal testing device was used to apply a unilateral vertical static load (50 N) on the first molar area, and the strain was recorded using a multichannel digital strainometer. RESULTS Significant differences between groups and between sites of strain gauges were detected. Strains recorded for all groups were compressive (negative) in nature. Group 1 demonstrated the highest strain, followed by group 3 and group 4; group 2 recorded the lowest strain. For group 2, the highest strain was recoded at the lingual nonloading side. For group 1, group 3, and group 4, the highest strain was recorded at the buccal loading side. CONCLUSION Within the limitation of the present study, ball attachments used to retain IADEPODs to the implants were associated with lower strains around abutment teeth than Locator and magnetic attachments. The highest strain was recorded with conventional partial dentures.
Loss of Cytosolic Phosphoglucose Isomerase Affects Carbohydrate Metabolism in Leaves and Is Essential for Fertility of Arabidopsis1[C][W][OPEN]

An enzyme of cytosolic hexose phosphate metabolism is essential for plant reproduction and important for photosynthesis. Carbohydrate metabolism in plants is tightly linked to photosynthesis and is essential for energy and carbon skeleton supply of the entire organism. Thus, the hexose phosphate pools of the cytosol and the chloroplast represent important metabolic resources that are maintained through action of phosphoglucose isomerase (PGI) and phosphoglucose mutase interconverting glucose 6-phosphate, fructose 6-phosphate, and glucose 1-phosphate. Here, we investigated the impact of disrupted cytosolic PGI (cPGI) function on plant viability and metabolism. Overexpressing an artificial microRNA targeted against cPGI (amiR-cpgi) resulted in adult plants with vegetative tissue essentially free of cPGI activity. These plants displayed diminished growth compared with the wild type and accumulated excess starch in chloroplasts but maintained low sucrose content in leaves at the end of the night. Moreover, amiR-cpgi plants exhibited increased nonphotochemical chlorophyll a quenching during photosynthesis. In contrast to amiR-cpgi plants, viable transfer DNA insertion mutants disrupted in cPGI function could only be identified as heterozygous individuals. However, homozygous transfer DNA insertion mutants could be isolated among plants ectopically expressing cPGI. Intriguingly, these plants were only fertile when expression was driven by the ubiquitin10 promoter but sterile when the seed-specific unknown seed protein promoter or the Cauliflower mosaic virus 35S promoter were employed. These data show that metabolism is apparently able to compensate for missing cPGI activity in adult amiR-cpgi plants and indicate an essential function for cPGI in plant reproduction. Moreover, our data suggest a feedback regulation in amiR-cpgi plants that fine-tunes cytosolic sucrose metabolism with plastidic starch turnover.
Effectiveness of phantom exercises for phantom limb pain: a pilot study.

OBJECTIVE To investigate the effects of phantom limb exercises on phantom limb pain. METHODS A total of 20 traumatic amputees participated in the study. Ten received phantom exercises and prosthetic training, and 10 were treated with routine prosthetic training and a general exercise programme. Intensity of pain was evaluated using a 10-cm visual analogue scale before therapy and after 4 weeks of therapy. RESULTS Baseline scores on the visual analogue scale were similar between the groups. Pain intensity decreased in all subjects after 4 weeks of treatment in both groups. According to the visual analogue scale scores at the end of 4 weeks, the phantom exercises group differed significantly from the general exercise group (p < 0.05). CONCLUSION Phantom exercises appear to be effective in reducing phantom pain, but further research is required to confirm this.The results of this study indicate that phantom exercises can be used safely to alleviate phantom limb pain in lower and upper limb amputees.
An Integrated Event-Driven Framework Supporting MDD

Model-Driven Development (MDD) defines an approach to developing software systems that doesn’t rely on programming. MDD emphasizes the use of models for defining software specifications and uses automatic tools to generate the implementations for specific platforms. In the MDD, different views and models are specified for different parts of the system. ZOOM, which is a formal notation we propose to enhance existing modeling notations, defines the structural, behavioral and UI models as the three most critical components for a software model. In this paper, we present a pre-defined event model, processed through an event-driven framework, which integrates these views, and provides the run-time execution model for ZOOM.
Requirement/Service Cooperation Model of Multi-Agent System in the Situation Calculus

Summary In multi-agent systems, the Requirement/Service is a cooperation way that is simple, efficient, and wildly applied. Under the framework of Situation Calculus, the agents’ mental states (knowledge, task/goal, etc.) are represented by some special fluents and complex actions, and communication actions are introduced into the earlier ConGolog referring to FIPA-ACL. Consequently, we propose a Requirement/Service cooperation model and semantics for multi-agent System based on the extended ConGolog. What’s more, in terms of the model and semantics, we specify a feasible case of the multi-agent system in the dynamic and incompletely known environment for achieving the cooperation based on reasoning about action and change.
Vision-based dynamic estimation and set-point stabilization of nonholonomic vehicles

A nonhonolomic vehicle is stabilized to a desired pose through a visual servoing technique. The vision-based regulation of the nonholonomic vehicle proposed is built through a discontinuous change of coordinates and Lyapunov-based design, which ensure asymptotic stability of the closed-loop visual system. A dynamic estimation procedure, based on the optical flow equations, is also presented to deal with uncertainties in the obsereved environment. Simulations results on an autonomous mobile robot are reported, that show the practicality of the proposed approach.
Automated microaneurysm detection method based on double-ring filter and feature analysis in retinal fundus images

Microaneurysm in the retina is one of the signs of simple diabetic retinopathy. We have been investigating a computerized method for the detection of microaneurysms on retinal fundus images. In this study, the computerized scheme was developed by using twenty five cases. After image preprocessing, candidate regions for microaneurysms were detected using a double-ring filter. Any potential false positives located in the regions corresponding to blood vessels were removed by automatic extraction of blood vessels from the images. One hundred twenty six image features were determined, and 28 components were selected by using principal component analysis, and the candidate lesions were classified into microaneurysms or false positives using the rule-based method and an artificial neural network. The true positive rate of the proposed method was 68% at 15 false positives per image.
Resolution enhancement of 2-photon microscopy using high-refractive index microspheres

Intravital microscopy using multiphoton processes is the standard tool for deep tissue imaging inside of biological specimens. Usually, near-infrared and infrared light is used to excite the sample, which enables imaging several mean free path inside a scattering tissues. Using longer wavelengths, however, increases the width of the effective multiphoton Point Spread Function (PSF). Many features inside of cells and tissues are smaller than the diffraction limit, and therefore not possible to distinguish using a large PSF. Microscopy using high refractive index microspheres has shown promise to increase the numerical aperture of an imaging system and enhance the resolution. It has been shown that microspheres can image features ~λ/7 using single photon process fluorescence. In this work, we investigate resolution enhancement for Second Harmonic Generation (SHG) and 2-photon fluorescence microscopy. We used Barium Titanate glass microspheres with diameters ∼20–30 μm and refractive index ∼1.9–2.1. We show microsphere-assisted SHG imaging in bone collagen fibers. Since bone is a very dense tissue constructed of bundles of collagen fibers, it is nontrivial to image individual fibers. We placed microspheres on a dense area of the mouse cranial bone, and achieved imaging of individual fibers. We found that microsphere assisted SHG imaging resolves features of the bone fibers that are not readily visible in conventional SHG imaging. We extended this work to 2-photon microscopy of mitochondria in mouse soleus muscle, and with the help of microsphere resolving power, we were able to trace individual mitochondrion from their ensemble.
UNIVERSITÉ DE MONTRÉAL

PRÉSENTS : La vice-rectrice à l’enseignement de premier cycle et à la formation continue, Mme Claire McNicoll; le doyen de la Faculté des études supérieures, M. Louis Maheu; les doyens, MM. Jean-Marc Boudrias, Jacques Frémont, Mmes Irène Cinq-Mars, Christine Colin, M. Jean-Marc Charron, Mme Maryse Rinfret-Raynor, M. Claude Lamarche; le représentant du directeur de l'École des Hautes Études Commerciales, M. Daniel Racette; une membre nommée par l'Assemblée universitaire, Mme Louise Dagenais; des membres nommés par le Conseil de l'Université, MM. Jean-Pierre Côté, Laurent Descarries, Pierre Simonet, Fernand A. Roberge; les étudiants, MM. Étienne Marcotte, Ange Langlois, Mme Geneviève Lanoue-Larue; un observateur, M. Fernand Boucher.
Mutations of Cx43 that affect B cell spreading in response to BCR signaling

ABSTRACT The gap junction (GJ) protein connexin 43 (Cx43) is both necessary and sufficient for B cell receptor (BCR)-mediated cell spreading. To address how Cx43 mediates this effect, we blocked its function genetically, by expressing mutants of Cx43, and pharmacologically, by using chemical inhibitors. While various point mutations of Cx43 inhibited B cell spreading, treatment with channel blocking drugs did not, suggesting that this response was independent of channel function. The critical region of Cx43 appears to be the cytoplasmic carboxyl-terminal (CT) domain, which has previously been shown to be important for B cell spreading. Consistent with this, mutations of either tyrosine 247 or 265 found in the CT were sufficient to inhibit spreading. Thus Cx43 may influence B cell spreading by mechanisms requiring protein binding to, or modification of, these sites in the CT tail.
Hemodynamic Differences in Intracranial Aneurysms before and after Rupture

BACKGROUND AND PURPOSE: Rupture risk of intracranial aneurysms may depend on hemodynamic characteristics. This has been assessed by comparing hemodynamic data of ruptured and unruptured aneurysms. However, aneurysm geometry may change before, during, or just after rupture; this difference causes potential changes in hemodynamics. We assessed changes in hemodynamics in a series of intracranial aneurysms, by using 3D imaging before and after rupture. MATERIALS AND METHODS: For 9 aneurysms in 9 patients, we used MRA, CTA, and 3D rotational angiography before and after rupture to generate geometric models of the aneurysm and perianeurysmal vasculature. Intra-aneurysmal hemodynamics were simulated by using computational fluid dynamics. Two neuroradiologists qualitatively assessed flow complexity, flow stability, inflow concentration, and flow impingement in consensus, by using flow-velocity streamlines and wall shear stress distributions. RESULTS: Hemodynamics changed in 6 of the 9 aneurysms. The median time between imaging before and after rupture was 678 days (range, 14–1461 days) in these 6 cases, compared with 151 days (range, 34–183 days) in the 3 cases with unaltered hemodynamics. Changes were observed for flow complexity (n = 3), flow stability (n = 3), inflow concentration (n = 2), and region of flow impingement (n = 3). These changes were in all instances associated with aneurysm displacement due to rupture-related hematomas, growth, or newly formed lobulations. CONCLUSIONS: Hemodynamic characteristics of intracranial aneurysms can be altered by geometric changes before, during, or just after rupture. Associations of hemodynamic characteristics with aneurysm rupture obtained from case-control studies comparing ruptured with unruptured aneurysms should therefore be interpreted with caution.
Molecular and Clinical Investigation of Cystinuria in the Greek-Cypriot Population.

BACKGROUND AND AIMS Cystinuria represents 3% of nephrolithiasis in humans. Two genes have been identified as the main genetic causes of cystinuria, SLC3A1 and SLC7A9, with an autosomal recessive mode of inheritance. In the present study, we studied for the first time, genetically and clinically, all the cystinuric families identified so far in the Greek-Cypriot population. METHODS Discovery of mutations was performed through polymerase chain reaction (PCR)-single analysis and DNA resequencing. New families were investigated through PCR-RFLPs. Clinical data were collected through the hospital patients' records and analytical follow-up of the families. RESULTS AND DISCUSSION We found a total of five mutations in 28 Greek-Cypriot cystinuric patients belonging in 12 families. The most frequent mutation among the 28 Greek-Cypriot patients is the SLC3A1-p.T216M, which is also the second most frequent mutation in Europe, representing a genetic founder effect. Sixteen of the 28 patients are homozygous for this mutation. Even though a consanguinity loop was obvious in only one family, other patients were from families in small villages where endogamy was practiced for many centuries. Timely clinical and genetic diagnosis, accompanied by early treatment, is significant for the good health of most of our patients. Only ∼14% of them developed chronic renal failure, and only one reached end-stage renal disease (ESRD). CONCLUSION Five SLC3A1 and SLC7A9 mutations appear to be responsible for the genetic basis of cystinuria in the Greek-Cypriot patients; having such a limited number of causative mutations will simplify diagnostics for this population.
Technical note: further development of a resolution modification routine for the simulation of the modulation transfer function of digital x-ray detectors.

PURPOSE This paper proposes the further development of a resolution modification routine which is used to simulate the presampling modulation transfer function (pMTF) of digital x-ray detectors. METHODS It suggests a method to reconstruct anisotropic two dimensional (2D) pMTF matrices from the experimentally measured horizontal and vertical 1D pMTFs. In this study, the horizontal dimension of the detector is 17.3 cm, while the vertical one is 24 cm. This matrix is multiplied with the 2D Fourier transform of the super-sampled ideal input image to simulate blurring. Then, the restored image is sampled to form the pixels of the digital image. The authors suggest convolution with the comb function instead of the rectangular function to avoid the correction with the sinc function required by the latter. It is demonstrated that this correction is avoided when the comb function is used. Moreover, this study suggests a way to effectively sample the images in the case when the ratio between the "analog" pitch of the super-sampled input image and the pixel pitch of the digital x-ray detector is a semi-integer. RESULTS The validation of the simulation algorithm demonstrated that when the comb function was used the average absolute difference between the pMTF measured from the output images and the input ones was less than 1%, while this was of 13% when the rectangular function was used. When a sinc correction was applied in the latter case the difference decreased again to less than 1%. CONCLUSIONS The developed modification routine provides the means to simulate the spatial resolution of digital x-ray detectors under a wider range of conditions.