On the mechanism of bifunctional squaramide-catalyzed organocatalytic Michael addition: a protonated catalyst as an oxyanion hole.

A joint experimental-theoretical study of a bifunctional squaramide-amine-catalyzed Michael addition reaction between 1,3-dioxo nucleophiles and nitrostyrene has been undertaken to gain insight into the nature of bifunctional organocatalytic activation. For this highly stereoselective reaction, three previously proposed mechanistic scenarios for the critical CC bond-formation step were examined. Accordingly, the formation of the major stereoisomeric products is most plausible by one of the bifunctional pathways that involve electrophile activation by the protonated amine group of the catalyst.

A novel simultaneous photoelastic and two-beam interferometric system: I. Dynamic full-field evaluation of the elasticity modulus profile of polymeric fibres.

A novel optical setup for simultaneous capturing of photoelastic and two-beam interference patterns was designed. The designed optical setup was used to simultaneously record two types of patterns. The first pattern is two-beam interference pattern, and the second one is photoelastic interference pattern produced by objects under stress.

Predictors of family caregiver burden in schizophrenia: Study from an in-patient tertiary care hospital in India.

Background: Family caregivers experience significant burden in taking care of their patients with schizophrenia. Research on predictors of caregiver burden in India, where families are the primary caregivers of schizophrenia patients, is lacking.

Aim: To study the predictors of burden experienced by the family caregivers of first admission in-patient schizophrenia patients in India.

A novel double-image Fizeau system for accurate investigation of anisotropic polymer fibres.

This paper introduces a double-image multiple-beam Fizeau fringes system. The introduced system can dynamically determine the variations of the refractive indices for both parallel and perpendicular polarization simultaneously. This is achieved by the simultaneous capturing of two multiple-beam interference patterns during the mechanical processing of isotactic polypropylene fibre.

Novel mycosin protease MycP₁ inhibitors identified by virtual screening and 4D fingerprints.

The rise of drug-resistant Mycobacterium tuberculosis lends urgency to the need for new drugs for the treatment of tuberculosis (TB). The identification of a serine protease, mycosin protease-1 (MycP₁), as the crucial agent in hydrolyzing the virulence factor, ESX-secretion-associated protein B (EspB), potentially opens the door to new tuberculosis treatment options. Using the crystal structure of mycobacterial MycP₁ in the apo form, we performed an iterative ligand- and structure-based virtual screening (VS) strategy to identify novel, nonpeptide, small-molecule inhibitors against MycP₁ protease.

Measurements of an ablator-gas atomic mix in indirectly driven implosions at the National Ignition Facility.

We present the first results from an experimental campaign to measure the atomic ablator-gas mix in the deceleration phase of gas-filled capsule implosions on the National Ignition Facility. Plastic capsules containing CD layers were filled with tritium gas; as the reactants are initially separated, DT fusion yield provides a direct measure of the atomic mix of ablator into the hot spot gas. Capsules were imploded with x rays generated in hohlraums with peak radiation temperatures of ∼294  eV.

Early-time symmetry tuning in the presence of cross-beam energy transfer in ICF experiments on the National Ignition Facility.

On the National Ignition Facility, the hohlraum-driven implosion symmetry is tuned using cross-beam energy transfer (CBET) during peak power, which is controlled by applying a wavelength separation between cones of laser beams. In this Letter, we present early-time measurements of the instantaneous soft x-ray drive at the capsule using reemission spheres, which show that this wavelength separation also leads to significant CBET during the first shock, even though the laser intensities are 30× smaller than during the peak. We demonstrate that the resulting early drive P2/P0 asymmetry can be minimized and tuned to <1% accuracy (well within the ±7.

Reconstructive surgery for male stress urinary incontinence: Experiences using the ATOMS(®) system at a single center.

Objective: To propose possible success-driven solutions for problem and complication rates encountered with the ATOMS(®) sling system, based on first-hand experience; and to provide possible actual alternative scenarios for the treatment of male stress urinary incontinence (SUI).

Patients And Methods: During the defined period (between 4/2010 and 04/2014), 36 patients received ATOMS(®) system implants at our clinic. We collected pre- and post-operative evaluation data using the International Consultation on Incontinence Questionnaire Short Form (ICIQ SF).

Microscopic Modes and Free Energies for Topoisomerase I-DNA Covalent Complex Binding with Non-campothecin Inhibitors by Molecular Docking and Dynamics Simulations.

Topoisomerase I (Topo1) has been identified as an attractive target for anticancer drug development due to its central role in facilitating the nuclear process of the DNA. It is essential for rational design of novel Topo1 inhibitors to reliably predict the binding structures of the Topo1 inhibitors interacting with the Topo1-DNA complex. The detailed binding structures and binding free energies for the Topo1-DNA complex interacting with typical non-camptothecin (CPT) Topo1 inhibitors have been examined by performing molecular docking, molecular dynamic (MD) simulations, and binding free energy calculations.

SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.

We present an efficient and rational ligand/structure shape-based virtual screening approach combining our previous ligand shape-based similarity SABRE (shape-approach-based routines enhanced) and the 3D shape of the receptor binding site. Our approach exploits the pharmacological preferences of a number of known active ligands to take advantage of the structural diversities and chemical similarities, using a linear combination of weighted molecular shape density. Furthermore, the algorithm generates a consensus molecular-shape pattern recognition that is used to filter and place the candidate structure into the binding pocket.

Atomic layer deposition-derived ultra-low-density composite bulk materials with deterministic density and composition.

A universal approach for on-demand development of monolithic metal oxide composite bulk materials with air-like densities (<5 mg/cm(3)) is reported. The materials are fabricated by atomic layer deposition of titania (TiO2) or zinc oxide (ZnO) using the nanoscale architecture of 1 mg/cm(3) SiO2 aerogels formed by self-organization as a blueprint. This approach provides deterministic control over density and composition without affecting the nanoscale architecture of the composite material that is otherwise very difficult to achieve.

Automatic inpainting scheme for video text detection and removal.

We present a two stage framework for automatic video text removal to detect and remove embedded video texts and fill-in their remaining regions by appropriate data. In the video text detection stage, text locations in each frame are found via an unsupervised clustering performed on the connected components produced by the stroke width transform (SWT). Since SWT needs an accurate edge map, we develop a novel edge detector which benefits from the geometric features revealed by the bandlet transform.

The new oral anti-coagulants and the phase 3 clinical trials - a systematic review of the literature.

Background: Anticoagulation with vitamin K antagonists such as warfarin has historically been used for the long term management of patients with thromboembolic disease. However, these agents have a slow onset of action which requires bridging therapy with heparin and its analogues, which are available only in parenteral route. To overcome these limitations, new oral anticoagulants such as factor Xa inhibitors and direct thrombin inhibitors have been developed.

Measurement of high-pressure shock waves in cryogenic deuterium-tritium ice layered capsule implosions on NIF.

The first measurements of multiple, high-pressure shock waves in cryogenic deuterium-tritium (DT) ice layered capsule implosions on the National Ignition Facility have been performed. The strength and relative timing of these shocks must be adjusted to very high precision in order to keep the DT fuel entropy low and compressibility high. All previous measurements of shock timing in inertial confinement fusion implosions [T.

Cost effectiveness of adopted quality requirements in hospital laboratories.

Background: The present study was designed in quasi-experiment to assess adoption of the essential clauses of particular clinical laboratory quality management requirements based on international organization for standardization (ISO 15189) in hospital laboratories and to evaluate the cost effectiveness of compliance to ISO 15189.

Methods: The quality management intervention based on ISO 15189 was conceded through three phases; pre - intervention phase, Intervention phase and Post-intervention phase.

Results: In pre-intervention phase the compliance to ISO 15189 was 49% for study group vs.

Hot-spot mix in ignition-scale inertial confinement fusion targets.

Mixing of plastic ablator material, doped with Cu and Ge dopants, deep into the hot spot of ignition-scale inertial confinement fusion implosions by hydrodynamic instabilities is diagnosed with x-ray spectroscopy on the National Ignition Facility. The amount of hot-spot mix mass is determined from the absolute brightness of the emergent Cu and Ge K-shell emission. The Cu and Ge dopants placed at different radial locations in the plastic ablator show the ablation-front hydrodynamic instability is primarily responsible for hot-spot mix.

PEG-calf thymus DNA interactions: conformational, morphological and spectroscopic thermal studies.

The main aim of this study is to provide understanding for the interaction modes and the binding affinity based on the study of PEG 400 that binds to ctDNA. The effects of the PEG-400-to-ctDNA ratio, pH, incubation time and thermal stability of ctDNA on PEG-ctDNA biocomplex formation were studied. UV-vis-NIR absorption analysis indicated that PEG forms a complex with ctDNA via a mechanism other than intercalation.

Topical mitomycin C application is effective in management of localized caustic esophageal stricture: a double-blinded, randomized, placebo-controlled trial.

Background: Frequent sessions of endoscopic dilatation are usually required in the management of benign esophageal strictures, especially caustic induced ones. Topical mitomycin C (MMC) has been recently used in the management of resistant strictures. This study evaluated the efficacy of MMC application in prevention of stricture recurrence after endoscopic dilatation.

Deterministic control over high-Z doping of polydicyclopentadiene-based aerogel coatings.

We report on simple and efficient routes to dope polydicyclopentadiene (PDCPD)-based aerogels and their coatings with high-Z tracer elements. Initially, direct halogenation of PDCPD wet gels and aerogels with elemental iodine or bromine was studied. Although several pathways were identified that allowed doping of PDCPD aerogels by direct addition of bromine or iodine to the unsaturated polymer backbone, they all provided limited control over the amount and uniformity of doping, especially at very low dopant concentrations.

Structural insight into a novel human CCR5-V130I variant associated with resistance to HIV-1 infection.

We report the identification of a novel CC chemokine receptor 5 (CCR5) variant that seems associated with resistance to HIV-1 infection. The V130I mutation of the CCR5 receptor is located in the intracellular loop ICL2 known as DRY box and described in the literature as a nonsynonymous mutation present in nonhuman primates group. Extensive molecular modeling and dynamics simulations were performed to elucidate the mechanism by which the V130I mutation may induce conformational change of the CCR5 folding protein and prevent the interaction with the β-arrestin protein.

Defective twin boundaries in nanotwinned metals.

Coherent twin boundaries (CTBs) are widely described, both theoretically and experimentally, as perfect interfaces that play a significant role in a variety of materials. Although the ability of CTBs in strengthening, maintaining the ductility and minimizing the electron scattering is well documented, most of our understanding of the origin of these properties relies on perfect-interface assumptions. Here we report experiments and simulations demonstrating that as-grown CTBs in nanotwinned copper are inherently defective with kink-like steps and curvature, and that these imperfections consist of incoherent segments and partial dislocations.

mChIP-KAT-MS, a method to map protein interactions and acetylation sites for lysine acetyltransferases.

Recent global proteomic and genomic studies have determined that lysine acetylation is a highly abundant posttranslational modification. The next challenge is connecting lysine acetyltransferases (KATs) to their cellular targets. We hypothesize that proteins that physically interact with KATs may not only predict the cellular function of the KATs but may be acetylation targets.

Yoga-based intervention for caregivers of outpatients with psychosis: a randomized controlled pilot study.

Purpose Of The Study: The use of yoga as an intervention for caregivers of patients with psychosis has been poorly studied. The current study aimed to test the efficacy of a brief yoga program as an intervention in caregivers of outpatients with functional psychotic disorders using a randomized controlled research design.

Materials And Methods: Caregivers who agreed to participate in the study (n=29) were randomized into yoga (n=15) or wait-list group (n=14).

Analysis of some selected catechins and caffeine in green tea by high performance liquid chromatography.

Green tea seems to have a positive impact on health due to the catechins-found as flavanols. Thus, the present study was aimed to develop a low cost reversed phase high performance liquid chromatographic (HPLC) method for simultaneous determination of flavanol contents, namely catechin (C), epicatechin (EC), epigallocatechin (EGC), epicatechin 3-gallate (ECG) and epigallocatechin 3-gallate (EGCG) and caffeine in 29 commercial green tea samples available in a Saudi Arabian local market. A C-18 reversed-phase column, acetonitrile-trifluoroacetic acid as a mobile phase, coupled with UV detector at 205 nm, was successfully used for precise analysis of the tested analytes in boiled water of digested tea leaves.

Reactivity models of hydrogen activation by frustrated Lewis pairs: synergistic electron transfers or polarization by electric field?

Two alternative qualitative reactivity models have recently been proposed to interpret the facile heterolytic cleavage of H2 by frustrated Lewis pairs (FLPs). Both models assume that the reaction takes place via reactive intermediates with preorganized acid/base partners; however, they differ in the mode of action of the active centers. In the electron transfer (ET) model, the hydrogen activation is associated with synergistic electron donation processes with the simultaneous involvement of active centers and the bridging hydrogen, showing similarity to transition-metal-based and other H2-activating systems.