bluuebunny/crossref_metadata_2025_split huggingface dataset:
Small molecule inhibitors of mammalian thioredoxin reductase as potential anticancer agents: An update
Authors: Zhang Junmin , Zhang Baoxin , Li Xinming , Han Xiao , Liu Ruijuan , Fang Jianguo 
Published: May 2018

AbstractMammalian thioredoxin reductase (TrxR) enzymes are homodimeric flavin proteins sharing a unique yet essential selenocysteine residue at their C‐terminus. TrxRs, together with their endogenous substrate thioredoxins, play a crucial role in regulating diverse cellular redox events. A wealth of evidence from both clinic observations and bench studies supports that overactivation/dysfunction of TrxRs has a close link to the onset and development of various diseases, such as cancer and neurodegeneration. Thus, an increasing interest has been attracted to find small molecule modulators of TrxRs during the past years. Herein, we briefly discussed the relevance of targeting TrxRs inhibition for cancer treatment, and presented the small molecule inhibitors of mammalian TrxRs published in the nonpatent literatures from 2011 to 2016. The mechanisms of inhibition by different classes of molecules were summarized, and some inhibitors with promising anticancer activity were further discussed. We expect this work would be a comprehensive reference in the medicinal chemistry, and have a broad audience across multiple disciplines.
Interstitial microdeletion of the 1p34.3p34.2 region
Authors: Jacher Joseph E. , Innis Jeffrey W. 
Published: May 2018

AbstractBackgroundInterstitial microdeletions of chromosome 1p34.3p34.2 are rare, but are continuing to be identified by the use of chromosome microarray. There have been fewer than 10 individuals identified who have deletions of the 1p34.3p34.2 region; all of these previously described individuals have deletions of the AGO1, AGO3, GRIK3, SLC2A1, or RIMS3 genes. Haploinsufficiency of these genes has been associated with neurodevelopmental delays.MethodsChromosome microarray, quantitative PCR, and fluorescence in situ hybridization were performed with DNA extracted from peripheral blood.ResultsChromosome microarray identified a 2.3 Mb 1p34.3p34.2 one copy deletion in our patient with global developmental delay, mild intellectual disability, delayed bone age, bilateral vesicoureteral reflux, vocal cord paralysis, right aberrant subclavian artery, kyphoscoliosis, bilateral metatarsus adductus, and valgus knee deformity. This deletion was confirmed by quantitative PCR and does not include the AGO1, AGO3, GRIK3, SLC2A1, or RIMS3 genes. Subsequent FISH testing of the parents was negative.ConclusionHaploinsufficiency of the 1p34.3p34.2 region, including the SNIP1 gene and excluding the five genes listed above, is responsible for the neurocognitive delays and other symptoms as identified in our patient.
Two‐compartment age‐structured model of solitarious and gregarious locust population dynamics
Authors: Akimenko Vitalii V. , Piou Cyril 
Published: May 2018

We study a nonlinear age‐structured model of locust population dynamics with variable time of egg incubation that describes the phase shifting and behavior of desert locust, Schistocerca gregaria. The model is based on the 2‐compartment system of transport equations with nonlinear density‐dependent fertility rates with time delay in boundary conditions. It describes the dynamics of the density of 2 phases of locust's population—solitarious and gregarious. Such system is studied both theoretically and numerically. The analysis of asymptotical stability of the trivial and nontrivial equilibria of the autonomous system allows to understand the conditions and the particularities of bidirectional phase shifts between solitarious and gregarious S gregaria. We found that the parameter of maturation age was very important in the 2‐phase dynamics. We extrapolate that a rapid change in environmental conditions that may trigger the maturation process of dormant solitarious population may also decrease, overall, the maturation age and hence destabilize the solitarious subpopulation from a near zero population size towards much larger populations and hence initiate quickly good conditions for gregarization. We also observed that the most realistic population dynamics of locusts was when the attraction point of a stable solitarious population size was above the gregarization threshold. This means that solitarious populations may last through time only near a zero size, but as soon as environmental conditions become favorable to population increase, the gregarization may happen. This outlines the intrinsic character of outbreaking dynamics that a species such as desert locust displays.
Helium CT: Monte Carlo simulation results for an ideal source and detector with comparison to proton CT
Authors: Piersimoni Pierluigi , Faddegon Bruce A. , Méndez José Ramos , Schulte Reinhard W. , Volz Lennart , Seco Joao 
Published: May 2018

PurposeTo evaluate the accuracy of relative stopping power and spatial resolution of images reconstructed with simulated helium CT (HeCT) in comparison to proton CT (pCT).MethodsA Monte Carlo (MC) study with the TOPAS tool was performed to compare the accuracy of relative stopping power (RSP) reconstruction and spatial resolution of low‐fluence HeCT to pCT, both using 200 MeV/u particles. An ideal setup consisting of a flat beam source and a totally absorbing energy‐range detector was implemented to estimate the theoretically best achievable RSP accuracy for the calibration and reconstruction methods currently used for pCT. The phantoms imaged included a cylindrical water phantom with inserts of different materials, sizes, and positions, a Catphan phantom with a module containing high‐contrast line pairs (CTP528) and a module with cylindrical inserts of different RSP (CTP404), as well as a voxelized 10‐year‐old female phantom. Dose to the cylindrical water phantom was also calculated. The RSP accuracy was studied for all phantoms except the CTP528 module. The latter was used for the estimation of the spatial resolution, evaluated as the modulation transfer function (MTF) at 10%.ResultsAn overall error under 0.5% was achieved for HeCT for the water phantoms with the different inserts, in all cases better than that for pCT, in some cases by a factor 3. The inserts in the CTP404 module were reconstructed with an average RSP accuracy of 0.3% for HeCT and 0.2% for pCT. Anatomic structures (brain, bones, air cavities, etc.) in the digitized head phantom were well recognizable and no artifacts were visible with both HeCT and pCT. The three main tissue materials (soft tissue, brain, and cranium) were well identifiable in the reconstructed RSP‐volume distribution with both imaging modalities. Using 360 projection angles, the spatial resolution was 4 lp/cm for HeCT and 3 lp/cm for pCT. Generally, spatial resolution increased with the number of projection angles and was always higher for HeCT than for pCT for the same number of projections. When HeCT and pCT scan were performed to deliver the same dose in the phantom, the resolution for HeCT was higher than pCT.ConclusionMC simulations were used to compare HeCT and pCT image reconstruction. HeCT images had similar or better RSP accuracy and higher spatial resolution compared to pCT. Further investigation of the potential of helium ion imaging is warranted.
Characterizing intra‐axonal water diffusion with direction‐averaged triple diffusion encoding MRI
Authors: Jensen Jens H. , Helpern Joseph A. 
Published: May 2018

For large diffusion weightings, the direction‐averaged diffusion MRI (dMRI) signal from white matter is typically dominated by the contribution of water confined to axons. This fact can be exploited to characterize intra‐axonal diffusion properties, which may be valuable for interpreting the biophysical meaning of diffusion changes associated with pathology. However, using just the classic Stejskal‐Tanner pulse sequence, it has proven challenging to obtain reliable estimates for both the intrinsic intra‐axonal diffusivity and the intra‐axonal water fraction. Here we propose to apply a modification of the Stejskal‐Tanner sequence designed for achieving such estimates. The key feature of the sequence is the addition of a set of extra diffusion encoding gradients that are orthogonal to the direction of the primary gradients, which corresponds to a specific type of triple diffusion encoding (TDE) MRI sequence. Given direction‐averaged dMRI data for this TDE sequence, it is shown how the intra‐axonal diffusivity and the intra‐axonal water fraction can be determined by applying simple, analytic formulae. The method is illustrated with numerical simulations, which suggest that it should be accurate for b‐values of about 4000 s/mm2 or higher.
Evaluation of compliance with isotretinoin PPP recommendations and exploration of reasons for non‐compliance: Survey among French‐speaking health care professionals and patients in Belgium
Authors: Lelubre Mélanie , Hamdani Jamila , Senterre Christelle , Amighi Karim , Peres Marion , Schneider Marie‐Paule , Bugnon Olivier , De Vriese Carine 
Published: May 2018

AbstractPurposeTo evaluate awareness of and compliance in Belgium by French‐speaking health care professionals and patients with the isotretinoin safety recommendations regarding its teratogenic risk.MethodSurvey using online questionnaires, delivered from December 2014 to March 2015 for patients, pharmacists, dermatologists, and GPs and delivered again from September 2015 to October 2015 for GPs.ResultsQuestionnaires were completed by 24 dermatologists, 24 GPs, 58 pharmacists, and 33 female patients. The pregnancy prevention programme was poorly known by health care professionals (23.6%) and patients (15.2%). Health care professionals informed women of childbearing age in depth about the teratogenic risk (98.3% of pharmacists and 100.0% of GPs and dermatologists) and the importance of an effective contraceptive method (87.9% and 100.0%, respectively). Patients were less informed about the pregnancy test (25.9% and 14.6%) and the need to use a second contraceptive method (29.3% and 27.1%). The low compliance with the last 2 recommendations was due to a lack of adoption by health care professionals regarding the need for these recommendations if female patients have an effective contraceptive method and the pregnancy risk is discussed in detail with them.ConclusionThe effectiveness of the pregnancy prevention programme recommendations should be reconsidered by an expert committee. Justifications should be added to effective recommendations to increase their adoption by health care professionals and patients.
Trends in the long‐term use of benzodiazepine anxiolytics and hypnotics: A national register study for 2006 to 2014
Authors: Kurko Terhi , Saastamoinen Leena K. , Tuulio‐Henriksson Annamari , Taiminen Tero , Tiihonen Jari , Airaksinen Marja , Hietala Jarmo 
Published: May 2018

AbstractPurposeLong‐term benzodiazepine (BZD) treatment continues to be a debated topic. Because individual BZDs have different clinical profiles, we assessed the nationwide trends of long‐term BZD use at active substance level during years 2006 to 2014.MethodsThis study covered all reimbursed BZD purchases (n = 408 572‐521 823 annually) for adults recorded in the Finnish Prescription Register. We assessed long‐term use (annual cumulative purchase of ≥180 defined daily doses) in general, and at active substance level with the most commonly used BZD anxiolytics (oxazepam, diazepam, alprazolam, and clonazepam for nonepilepsy indications) and hypnotics (zopiclone, zolpidem, and temazepam) included. The persistence rates for each substance were assessed separately.ResultsThe prevalence of long‐term BZD use among Finnish adults declined significantly from 5.3% to 3.6%, during years 2006 to 2014. Despite this decline, there was a significant increase in the long‐term use of clonazepam for nonepilepsy indications and zolpidem (28.0% and 17.5%, respectively). Long‐term use was common in the aged population, as well as among the users of hypnotics or clonazepam. Persistent use of 9 consecutive calendar years varied between 7.5% for incident alprazolam users and 21.0% for incident clonazepam users.ConclusionsWe found a declining trend in long‐term BZD use, but the decline was not uniform between the substances—the long‐term use of clonazepam and zolpidem even increased. Follow‐up research is needed to assess whether the decline in BZD use is accompanied by an increased use of other types of anxiolytic or hypnotic drugs or other forms of treatment.
Design and fabrication of electro‐conductive polymer nanocomposites with mechanical and thermal resistance
Authors: Batool Maria , Nadeem QuratulAin , Gill Rohama , Nadeem Raziya 
Published: May 2018

AbstractThe commencement of the industrial revolution paved the way for the fabrication of flexible polymers with high‐strength metalloceramics as novel materials of all kinds. Fabricating metal–ceramic/polymer conductive composites is one such dimension followed for the present research work making use of the properties of the three components. Electroless deposition, for permanent metallic coating, was performed to coat Al2O3 with metallic Cu followed by the inclusion of the Cu–Al2O3 filler into a poly(vinyl chloride) (PVC) matrix. X‐ray diffraction and energy‐dispersive X‐ray studies predicted a prominent growth of metallic Cu crystallites onto Al2O3 with an increased average size and variation in elemental composition, respectively, when compared to pristine Al2O3. Morphological behaviour via scanning electron microscopy also envisioned uniform Cu coating onto Al2O3 and a homogeneous dispersion throughout the polymer matrix. When incorporated into PVC, electrical conductivity analysis highlighted a distinct variation in composite phases from insulating (7.14 × 10−16 S cm−1) to semiconducting behaviour (8.33 × 10−5 S cm−1) as a function of Cu–Al2O3 filler. Mechanical behaviour (tensile strength, Young's modulus and elongation at break) and thermal properties of the prepared composites also indicated a substantial improvement in material strength with Cu–Al2O3 incorporation. The enhanced electrical conductivity along with improved thermomechanical status with significant filler–matrix interaction permits the potential usage of such novel composites in a range of state‐of‐the‐art semiconducting electronic devices. © 2018 Society of Chemical Industry
Coumarins: Spectroscopic measurements and first principles calculations of C4‐substituted 7‐aminocoumarins
Authors: Singh Shraddha , Begoyan Vagarshak V. , Tanasova Marina , Waters Kevin , Seel Max , Pandey Ravindra 
Published: May 2018

AbstractCoumarins are widely applied in sensing devices due to their diverse fluorescence properties. In this paper, we consider the C4‐substituted 7‐aminocoumarins to investigate the structure‐property relationship via examining the effect of the various substitutions on their optical properties. Absorption and fluorescence measurements together with time‐dependent density functional theory calculations are described. We find that the significant red shift in the fluorescence spectra is associated with the cyclic carbonyl group of coumarins due to a substantial increase in the dipole moment in the photoexcited state. The apparent correlation between experimental and calculated results provides an atomistic‐level insight into the role of the functionality at the C4 of coumarins and sets the basis for using computational analysis to predict the fluorescence properties of coumarins.
On the origin and consequences of high DMAEMA reactivity ratio in ATRP copolymerization with MMA: An experimental and theoretical study#
Authors: Mella Massimo , La Rocca Mario Vincenzo , Miele Ylenia , Izzo Lorella 
Published: May 2018

ABSTRACTDesigning and tuning a copolymerization process to obtain specific material properties is still fundamentally empirical and requires the determination of apparent reactivity ratiosrs. To this end, PEG–(MMA–DMAEMA)ncopolymers obtained via ATRP of MMA and DMAEMA using a PEG‐based initiator in toluene were analyzed to extract monomer relative reactivities; the impact of changing solvent on the latter was also tested. Differing from previous free radical and controlled radical copolymerizations (CRcoP), we found that DMAEMA is preferentially included (and) in toluene; increasing the solvent polarity decreased the gap betweenrs. With these data, kMC simulations based on the copolymerizationterminal modelwere used to investigate copolymer microstructure, which is not amenable to NMR investigation. kMC simulations evidenced both a gradient‐like nature of the copolymers and a somewhat unexpected qualitative change in the probability of finding MMA‐rich triads along the chain depending on initial feed composition. An additional DFT analysis suggested the likely formation of a DMAEMA:CuBr:2‐2′‐bipyridine complex, which being involved in the regeneration of reactive radicals from dormant species, is expected to locally increase DMAEMA concentration favoring its addition to the growing chains. The formation of such complex is also supported by1H‐NMR experiments. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem.2018,56, 1366–1382
Development of a 3D Light Scattering Sensor for Online Characterization of Aerosol Particles
Authors: Pitz Michael , Hellmann Albert , Ripperger Siegfried , Antonyuk Sergiy 
Published: May 2018

AbstractThe measurement of the shape, surface, and aggregate structure of solid particles on the micro and nanoscale become even more important for the design and characterization of products and processes. Currently, these properties are determined offline via imaging techniques such as scanning electron microscope or transmission electron microscope. This requires a suitable sampling, and the subsequent workup and analysis step is very costly and time consuming. Therefore, a suitable measurement technology is required, which is able to capture the properties online. In this work, a novel sensor system based on the principle of elastic light scattering of particles in the gas phase is developed and described. Here, the single particles of an aerosol stream are illuminated by monochromatic laser light and the scattered light intensity is measured with high temporal resolution at several points around the particles. The measured data is evaluated and used to obtain certain particle properties such as size, sphericity, and fractal dimension. The modular setup of the sensor is suitable for the adaption to different measuring tasks. In addition to the detailed description of the design of the developed system, first measurements on polystyrene latex monospheres are presented.
Host and environmental factors influencing ‘Candidatus Liberibacter asiaticus’ acquisition in Diaphorina citri
Authors: Wu Fengnian , Huang Jiaquan , Xu Meirong , Fox Eduardo G P , Beattie G Andrew C , Holford Paul , Cen Yijing , Deng Xiaoling 
Published: May 2018

AbstractBackgroundDiaphorina citri is a vector of ‘Candidatus Liberibacter asiaticus’ (CLas) associated with citrus Huanglongbing. In this study, the infection and titers of CLas in the psyllid, were monitored for life cycle stage, sex, host‐plant CLas titer, host‐plant genotype, and ambient temperature.ResultsAcquisition efficiency of CLas by D. citri was highest in nymphs reared at 25 °C on a host plant with high CLas titers but was independent of the host genotypes assessed and of vector sex. We further observed that D. citri nymphs acquired CLas more rapidly than adults based on acquisition access periods (AAPs). CLas did not multiply in the alimentary canal, hemolymph, and salivary glands of adults for 18 days after a 3‐day AAP as adult. However, CLas multiplication was detected in hemolymph and salivary gland of adults after the bacterium was acquired by nymphs. Eighty percent of salivary glands of adults contained CLas 18 days after a 3‐day AAP as nymph compared to 10% 18 days after a 3‐day AAP as adults.ConclusionDifferent factors tested herein influenced CLas acquisition efficiency of D. citri, CLas multiplication and spread inside the psyllid. These observations serve to better understand mechanisms of CLas infection in D. citri. © 2018 Society of Chemical Industry
The nature of the chemical bond in borazine (B3N3H6), boroxine (B3O3H3), carborazine (B2N2C2H6), and related species
Authors: Kalemos Apostolos 
Published: May 2018

AbstractThe bonding problem in borazine (B3N3H6), boroxine (B3O3H3), and carborazine (B2N2C2H6) is successfully addressed through the consideration of the excited states of the constituent fragments, namely BH(
), NH(
), and CH(
). We propose the participation of resonant structures for all three species that help to explain the experimental findings. A discussion on the chemical pattern of the parental molecule benzene (C6H6) helps to make coherent the whole bonding analysis on the titled species.
Salt‐Induced Microstructural Transitions in Aqueous Dispersions of Ionic‐Liquids‐Based Surfactants
Authors: Vaid Zuber S. , Rajput Sargam M. , Shah Ankit , Kadam Yogesh , Kumar Arvind , El Seoud Omar A. , Mata Jitendra P. , Malek Naved I. 
Published: May 2018

AbstractApplicability and performance ability of the surfactants are controlled through their aggregation behavior, which are modulated by employing external additives. In order to achieve favorable shape and sized nano‐aggregates, we have investigated the role of structure making hydrotop; sodium salicylate (NaSal) on the micellar transition of the functionalized and non‐functionalized ionic liquid based surfactants (ILBSs) (1‐hexadecyl‐3‐vinylimidazolium bromide and 1‐hexadecyl‐3‐methylimidazolium bromide) in aqueous medium. The micelle to vesicle transitions in the studied systems is explored using viscosity, dynamic light scattering and transmission electron microscopy measurements. For the first time we report the nano and micro‐structural aggregates of the vinylfunctionalized ILBSs with respect to the composition, and concentration of the additives; alkyl chain length and head group of ILBSs. Transmissions electron microscopy (TEM) revealed the formation of vesicles at high concentration of NaSal (∼1000 mM) for the vinylfunctionalized ILBS.
A Ligand/Additive/Base‐Free C(sp2)‐H Activation and Isocyanide Insertion in PEG‐400: Synthesis of Indolizine/Imidazoline‐Fused Heterocycles
Authors: Kumar K. Shiva , Rajesham Bandari , Kumar N. Praveen , Ramulu Meesa Siddi , Dandela Rambabu 
Published: May 2018

AbstractA ligand/base/metal oxidant free Pd‐catalyzed C(sp2)–H activation, followed by isocyanide insertion to synthesize indolizine/imidazoline fused heterocyclics in PEG‐400 as a recyclable solvent. The present transformation is greener and an efficient strategy using oxygen as external oxidant. The spectroscopic properties of selected indolizine/imidazoline fused heterocyclics were studied by UV−visible and fluorescence spectroscopy.