bluuebunny/crossref_metadata_2025 huggingface dataset:
Impaired Bone Microarchitecture Improves After One Year On Gluten-Free Diet: A Prospective Longitudinal HRpQCT Study in Women With Celiac Disease
Authors: Zanchetta María Belén , Longobardi Vanesa , Costa Florencia , Longarini Gabriela , Mazure Roberto Martín , Moreno María Laura , Vázquez Horacio , Silveira Fernando , Niveloni Sonia , Smecuol Edgardo , de la Paz Temprano María , Massari Fabio , Sugai Emilia , González Andrea , Mauriño Eduardo César , Bogado Cesar , Zanchetta José R , Bai Julio César
Published: July 2016

We have recently identified a significant deterioration of bone microarchitecture in premenopausal women with newly diagnosed celiac disease (CD) using high-resolution peripheral quantitative computed tomography (HRpQCT). The aim of this work was to assess changes in bone microarchitecture after 1 year on a gluten-free diet (GFD) in a cohort of premenopausal women. We prospectively enrolled 31 consecutive females at diagnosis of CD; 26 of them were reassessed 1 year after GFD. They all underwent HRpQCT scans of distal radius and tibia, areal BMD by DXA, and biochemical tests (bone-specific parameters and CD serology) at both time points. Secondary, we compared 1-year results with those of a control group of healthy premenopausal women of similar age and BMI in order to assess whether the microarchitectural parameters of treated CD patients had reached the values expected for their age. Compared with baseline, the trabecular compartment in the distal radius and tibia improved significantly (trabecular density, trabecular/bone volume fraction [BV/TV] [p < 0.0001], and trabecular thickness [p = 0.0004]). Trabecular number remained stable in both regions. Cortical density increased only in the tibia (p = 0.0004). Cortical thickness decreased significantly in both sites (radius: p = 0.03; tibia: p = 0.05). DXA increased in all regions (lumbar spine [LS], p = 0.01; femoral neck [FN], p = 0.009; ultradistal [UD] radius, p = 0.001). Most parameters continued to be significantly lower than those of healthy controls. This prospective HRpQCT study showed that most trabecular parameters altered at CD diagnosis improved significantly by specific treatment (GFD) and calcium and vitamin D supplementation. However, there were still significant differences with a control group of women of similar age and BMI. In the prospective follow-up of this group of patients we expect to be able to assess whether bone microarchitecture attains levels expected for their age. © 2016 American Society for Bone and Mineral Research.
Patent foramen ovale diagnosis: The importance of provocative maneuvers
Authors: Mongodi Silvia , Via Gabriele , Riccardi Mariachiara , Tavazzi Guido , D'Armini Andrea Maria , Maurelli Marco , Braschi Antonio , Mojoli Francesco
Published: July 2016

Patent foramen ovale (PFO) is a frequent congenital anomaly, but massive right‐to‐left shunt (RTLS) is normally prevented by higher pressures in left heart chambers. However, mechanical ventilation with positive end‐expiratory pressure (PEEP) can significantly increase right atrial pressure, accentuating the RTLS, mainly after major cardiothoracic surgery. We report a patient admitted to the intensive care unit after cardiac surgery. Pre‐ and intraoperative transesophageal echocardiography only described an aneurysmal interatrial septum with no shunt. However, high‐PEEP ventilation induced a paradoxical response with life‐threatening hypoxemia, triggering further echocardiographic evaluation, revealing massive RTLS across a stretch PFO. Provocative maneuvers (Valsalva/PEEP) significantly increase echocardiographic sensitivity, unmasking silent PFO. © 2016 Wiley Periodicals, Inc. J Clin Ultrasound 45:58–61, 2017
Synthesis and Antibacterial Screening of 1,3,4‐Thiadiazoles, 1,2,4‐Triazoles, and 1,3,4‐Oxadiazoles Containing Piperazine Nucleus
Authors: Deshmukh Rajendra , Karale Bhausaheb , Akolkar Hemantkumar , Randhavane Pratibha
Published: July 2016

A series of novel 1,3,4‐thiadiazoles, 1,2,4‐triazoles, and 1,3,4‐oxadiazoles were synthesized by cyclization of substituted 1‐(2‐(2‐chlorophenyl)‐2‐(4‐(2,3‐dichlorophenyl)piperazin‐1‐yl)acetyl)thiosemicarbazide. The structures of all newly synthesized compounds were elucidated on the basis of spectral studies. Some of them were screened for their antibacterial activity. The compounds 6b, 6c, 8e, 9a, and 9b have shown moderate activity towards Bacillus Subtilis and Escherichia Coli.
Perspectives on fear generalization and its implications for emotional disorders
Authors: Jasnow Aaron M. , Lynch Joseph F. , Gilman T. Lee , Riccio David C.
Published: July 2016

Although generalization to conditioned stimuli is not a new phenomenon, renewed interest in understanding its biological underpinning has stemmed from its association with a number of anxiety disorders. Generalization as it relates to fear processing is a temporally dynamic process in which animals, including humans, display fear in response to similar yet distinct cues or contexts as the time between training and testing increases. This Review surveys the literature on contextual fear generalization and its relation to several views of memory, including systems consolidation, forgetting, and transformation hypothesis, which differentially implicate roles of the hippocampus and neocortex in memory consolidation and retrieval. We discuss recent evidence on the neurobiological mechanisms contributing to the increase in fear generalization over time and how generalized responding may be modulated by acquisition, consolidation, and retrieval mechanisms. Whereas clinical perspectives of generalization emphasize a lack of fear inhibition to CS– cues or fear toward intermediate CS cues, the time‐dependent nature of generalization and its relation to traditional views on memory consolidation and retrieval are often overlooked. Understanding the time‐dependent increase in fear generalization has important implications not only for understanding how generalization contributes to anxiety disorders but also for understanding basic long‐term memory function. © 2016 Wiley Periodicals, Inc.
Lipid organization and stratum corneum thickness determined in vivo in human skin analyzing lipid–keratin peak (2820–3030 cm−1) using confocal Raman microscopy
Authors: Choe ChunSik , Lademann Jürgen , Darvin Maxim E.
Published: July 2016

While the intercellular lipid structure of the stratum corneum (SC) plays an important role in the skin barrier function, the depth‐dependent profile of the intercellular lipids contributes decisively to deepen the understanding of the skin barrier function, drug penetration, development of skin diseases and their medication. The depth‐dependent profile of the lipids' chemico‐physical properties, such as the solid–fluid phase transition and the order–disorder transition, can exclusively be measured in human skin in vivo by means of confocal Raman microscopy. In the present paper, the lipid–keratin peak (2820–3030 cm−1) was investigated. The lipid‐related Raman peaks centered at 2850 cm−1 and 2880 cm−1 were deconvoluted using Gaussian functions and investigated for their depth‐dependent shape and positional changes. Different fitting procedures show that even an additional Gaussian function cannot be used to fully characterize the lipid's polymethylene chains around 2880 cm−1, which justifies the introduction of the sharpness of the peak centered near 2880 cm−1. The results show that the 2880 cm−1 peak sharpness might be used for determining the SC thickness. The concentration of the lipids with long‐chain carbon backbone (free fatty acids and ceramides) semi‐quantitatively decreases from 10 µm to 20 µm (SC thickness is 19.8 µm). The maximum position and broadness of the Gaussian peak centered at 2850 cm−1 show that near the surface and in the deeper layers of the SC, the state of the lipids is more fluid and disordered compared to the medium layers of the SC. Copyright © 2016 John Wiley & Sons, Ltd.
Posttraumatic Stress Disorder in U.S. Military Primary Care: Trajectories and Predictors of One‐Year Prognosis
Authors: Bray Robert M. , Engel Charles C. , Williams Jason , Jaycox Lisa H. , Lane Marian E. , Morgan Jessica K. , Unützer Jürgen
Published: July 2016

We examined the longitudinal course of primary care patients in the active duty Army with posttraumatic stress disorder (PTSD) and identified prognostic indicators of PTSD severity. Data were drawn from a 6‐site randomized trial of collaborative primary care for PTSD and dpression in the military. Subjects were 474 soldiers with PTSD (scores ≥ 50 on the PTSD Checklist ‐Civilian Version). Four assessments were completed at U.S. Army installations: baseline, and follow‐ups at 3 months (92.8% response rate [RR]), 6 months (90.1% RR), and 12 months (87.1% RR). Combat exposure and 7 validated indicators of baseline clinical status (alcohol misuse, depression, pain, somatic symptoms, low mental health functioning, low physical health functioning, mild traumatic brain injury) were used to predict PTSD symptom severity on the Posttraumatic Diagnostic Scale (Cronbach's α = .87, .92, .95, .95, at assessments 1–4, respectively). Growth mixture modeling identified 2 PTSD symptom trajectories: subjects reporting persistent symptoms (Persisters, 81.9%, n = 388), and subjects reporting improved symptoms (Improvers 18.1%, n = 86). Logistic regression modeling examined baseline predictors of symptom trajectories, adjusting for demographics, installation, and treatment condition. Subjects who reported moderate combat exposure, adjusted odds ratio (OR) = 0.44, 95% CI [0.20, 0.98], or who reported high exposure, OR = 0.39, 95% CI [0.17, 0.87], were less likely to be Improvers. Other baseline clinical problems were not related to symptom trajectories. Findings suggested that most military primary care patients with PTSD experience persistent symptoms, highlighting the importance of improving the effectiveness of their care. Most indicators of clinical status offered little prognostic information beyond the brief assessment of combat exposure.
¿Conjugated? Copolymers from a Pechmann Dye Derivative
Authors: Thilanga Liyanage A. D. , Milián‐Medina Begoña , Zhang Bei , Gierschner Johannes , Watson Mark D.
Published: July 2016

Empirical observation and quantum chemical explanation of a likely common but “overlooked” outcome of the donor–acceptor (D–A) approach to organic electronic materials are reported. The frontier molecular orbitals (FMOs) of D–A copolymers prepared from the amidated Pechmann dye unit (APD) are dictated primarily by this “acceptor,” largely because its HOMO–LUMO gap falls within the gaps of common “donor” units. D–A copolymers with common benzodithiophene and cyclopentadithiophene units as “donors” are presented, giving examples having similar optical properties regardless of backbone planarity and solid‐state packing motif, along with calculations extending to several other common donor monomers to indicate generality. According to quantum‐chemical studies, APD‐localized FMOs form the transition to the lowest excited state, and higher lying charge‐transfer (CT) states. Other existing examples of this FMO situation are likely, but with (opto)electronic properties attributed to lack of conjugation due to, e.g., polymer backbone twisting.

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Bicolored Janus Microparticles Created by Phase Separation in Emulsion Drops
Authors: Min Nam Gi , Choi Tae Min , Kim Shin‐Hyun
Published: July 2016

In this work, a simple but versatile method to create bicolored Janus microparticles using phase separation of two immiscible polymers confined in emulsion drops is reported. With a capillary microfluidic device, monodisperse oil drops containing two immiscible polymers and dye molecules are generated in the continuous water phase. As the organic solvent is depleted by evaporation, the drops evolve to Janus microparticles with two compartments. One of the compartments is selectively stained by spontaneous migration of the dye molecules, thereby providing optical anisotropy. In addition, the Janus microparticles can be further rendered to be magneto‐responsive by embedding aligned magnetic nanoparticles in the polymer matrix. Moreover, the configuration of Janus microparticles is exclusively selected from the core‐incomplete shell, dumbbell, and acorn, according to the surfactant in the continuous phase. This phase separation approach will provide a new opportunity for designing Janus microparticles with advanced functionality.

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pH‐Triggered Sustained Drug Delivery from a Polymer Micelle having the β‐Thiopropionate Linkage
Authors: Pramanik Prithankar , Halder Debdatta , Jana Siddhartha Sankar , Ghosh Suhrit
Published: July 2016

The synthesis, micellar aggregation, and pH‐triggered intracellular drug delivery ability of an amphiphilic statistical copolymer (P2) are studied. Two methacrylate derivatives, one containing a hydrophilic pendant and the other containing a hydrophobic pendant chain, are copolymerized to produce P2. The hydrophobic pendant chain is linked to the polymer backbone by a β‐thiopropionate linkage, known to undergo slow hydrolysis at mild acidic pH. P2 forms a multimicellar cluster in water with a critical aggregation concentration of 0.02 mg mL−1 and encapsulates a hydrophobic guest such as pyrene, Nile red, or the anti‐cancer drug doxorubicin (Dox). Sustained release of the entrapped Dox (80% after 100 h) is noticed at pH 5.2, while release is significantly slower (35% after 100 h) at pH 7.4. Acidic hydrolysis of the β‐thiopropionate linkage leading to the reduction of the hydrophobicity is established as the cause for micellar disassembly and triggered drug release. Cell‐culture studies with the human breast cancer cell line, MCF‐7, reveal biocompatibility of P2 (below 150 μg mL−1). It is further tested for intracellular delivery of Dox. MCF‐7 cells remain healthy at pH 7.4 but become unhealthy at pH 5.2 when treated with a Dox‐loaded P2 micelles.

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Electron‐Irradiated Polymer Brushes for Hollow Carbon Nanosphere Arrays
Authors: Kim Deul , Kirakosyan Artavazd , Choi Jihoon
Published: July 2016

A thermally stable 2D array of spheres and their morphology control become important for the fabrication of novel nanostructures. Here, a simple method is presented for fabrication of large‐area and well‐ordered arrays of carbonized polystyrene (PS) hollow spheres with a controlled (close‐packed or non‐close‐packed hexagonal) morphology, prepared by combining the self‐assembly of PS‐grafted silica nanoparticles, etching, electron irradiation, and subsequent thermal annealing. Fine control in the 2D or 3D nanostructure of carbon materials can open up new opportunities for high‐performance nanoscale applications that require an efficient fabrication method for preparation of the porous carbon array.

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Preparation of Janus Graphene Oxide (GO) Nanosheets Based on Electrostatic Assembly of GO Nanosheets and Polystyrene Microspheres
Authors: Yang Yongfang , Zhang Lei , Ji Xiaotian , Zhang Lixin , Wang Hefang , Zhao Hanying
Published: July 2016

A facile and versatile method for the synthesis of Janus graphene oxide (GO) nanosheets with different structures is reported. Based on electrostatic assembly, Janus GO nanosheets can be easily functionalized with a template polymer or be defunctionalized by altering the ionic strength. By using this approach, Janus GO nanosheets are prepared successfully with hydrophobic polystyrene chains on one side and hydrophilic poly(2‐(dimethylamino)ethyl methacrylate) chains on the other side.

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Analysis of the displacement error of the WRF–ARW model in predicting tropical cyclone tracks over the Philippines
Authors: Aragon Larry Ger B. , Pura Alvin G.
Published: July 2016

The direct positional errors (DPEs) in tropical cyclone (TC) track predictions over the Philippine domain of the Weather Research Forecasting (WRF) model's Advance Research WRF (ARW) was studied. The 3 year dataset (i.e. 2012–2014) was categorized (i.e. tropical storm (TS), severe tropical storm (STS), typhoon (TY)) and the marginal distributions of the DPEs over the short‐range (i.e. 84 h) prognosis of the model were analysed.

The decreasing magnitudes and spread of DPEs at increasing TC intensity were determined. The median DPEs for the model initialization were 70 km (TS), 40 km (STS), 30 km (TY) which progressively increased by 50–90% (all subsets), 130–220% (TS and TY), 430% (TY) for the 1, 2 and 3 day forecasts, respectively. The variations in timing, frequency and length of significant DPE increments for successive lead time levels, as well as the daily significant DPE increments from the model initialization on the TC subsets were also studied. The formulations of the forecast cone of uncertainty (CONU) were likewise incorporated.
A case study of sulphur dioxide identification in three different volcanic eruptions, using Infrared satellite observations (IASI)
Authors: Athanassiadou Maria , Francis Peter N. , Saunders Roger W. , Atkinson Nigel C. , Hort Matthew C. , Havemann Stephan , Thelen Jean‐Claude , Bush Mike
Published: July 2016

Volcanic eruptions are natural hazards with dire consequences to life and economy. As most volcanoes are in remote areas, satellites play a vital role in providing observations and input to models used for forecasting volcanic plume evolution. Radiances from the Infrared Atmospheric Sounding Interferometer (IASI) on board the MetOp polar orbiting meteorological satellites were used to detect sulphur dioxide (SO2) from three volcanic eruptions in 2014, in different meteorological situations. Two of these eruption cases, Mount Sinabung in January and Kelut in February, are in the tropics, whereas the case in October from Bárðarbunga, is at a higher latitude. The SO2 plumes from these volcanic eruptions were identified easily and tracked using established methods from the literature, that are based on the principle that areas of increased SO2 from the volcano produce a reduction in the spectrum of the observed radiances (in the relevant absorption bands of IASI), whereas areas outside the volcanic plume do not. An estimate of the plume height was obtained in the first two cases by examination of the winds from an NWP model at different heights, and in the third, where the meteorological pattern is more complicated, by using trajectories from a Lagrangian model and matching their position with satellite observations of the plume at different times. The importance of meteorology in the detection and evolution of volcanic plumes, especially at low levels, is especially well demonstrated by the Bárðarbunga eruption. Estimates of the plume concentrations were obtained from explicit line‐by‐line calculations.
Pulsed and oscillating gradient MRI for assessment of cell size and extracellular space (POMACE) in mouse gliomas
Authors: Reynaud Olivier , Winters Kerryanne Veronica , Hoang Dung Minh , Wadghiri Youssef Zaim , Novikov Dmitry S. , Kim Sungheon Gene
Published: July 2016

Solid tumor microstructure is related to the aggressiveness of the tumor, interstitial pressure and drug delivery pathways, which are closely associated with treatment response, metastatic spread and prognosis. In this study, we introduce a novel diffusion MRI data analysis framework, pulsed and oscillating gradient MRI for assessment of cell size and extracellular space (POMACE), and demonstrate its feasibility in a mouse tumor model.

In vivo and ex vivo POMACE experiments were performed on mice bearing the GL261 murine glioma model (n = 8). Since the complete diffusion time dependence is in general non‐analytical, the tumor microstructure was modeled in an appropriate time/frequency regime by impermeable spheres (radius Rcell, intracellular diffusivity Dics) surrounded by extracellular space (ECS) (approximated by constant apparent diffusivity Decs in volume fraction ECS). POMACE parametric maps (ECS, Rcell, Dics, Decs) were compared with conventional diffusion‐weighted imaging metrics, electron microscopy (EM), alternative ECS determination based on effective medium theory (EMT), and optical microscopy performed on the same samples.

It was shown that Decs can be approximated by its long time tortuosity limit in the range [1/(88 Hz)–31 ms]. ECS estimations (44 ± 7% in vivo and 54 ± 11% ex vivo) were in agreement with EMT‐based ECS and literature on brain gliomas. Ex vivo, ECS maps correlated well with optical microscopy. Cell sizes (Rcell = 4.8 ± 1.3 in vivo and 4.3 ± 1.4 µm ex vivo) were consistent with EM measurements (4.7 ± 1.8 µm).

In conclusion, Rcell and ECS can be quantified and mapped in vivo and ex vivo in brain tumors using the proposed POMACE method. Our experimental results support the view that POMACE provides a way to interpret the frequency or time dependence of the diffusion coefficient in tumors in terms of objective biophysical parameters of neuronal tissue, which can be used for non‐invasive monitoring of preclinical cancer studies and treatment efficacy. Copyright © 2016 John Wiley & Sons, Ltd.
FFT‐based homogenization for microstructures discretized by linear hexahedral elements
Authors: Schneider Matti , Merkert Dennis , Kabel Matthias
Published: July 2016

The FFT‐based homogenization method of Moulinec–Suquet has recently emerged as a powerful tool for computing the macroscopic response of complex microstructures for elastic and inelastic problems. In this work, we generalize the method to problems discretized by trilinear hexahedral elements on Cartesian grids and physically nonlinear elasticity problems. We present an implementation of the basic scheme that reduces the memory requirements by a factor of four and of the conjugate gradient scheme that reduces the storage necessary by a factor of nine compared with a naive implementation.

For benchmark problems in linear elasticity, the solver exhibits mesh‐ and contrast‐independent convergence behavior and enables the computational homogenization of complex structures, for instance, arising from computed tomography computed tomography (CT) imaging techniques. There exist 3D microstructures involving pores and defects, for which the original FFT‐based homogenization scheme does not converge. In contrast, for the proposed scheme, convergence is ensured. Also, the solution fields are devoid of the spurious oscillations and checkerboarding artifacts associated to conventional schemes. We demonstrate the power of the approach by computing the elasto‐plastic response of a long‐fiber reinforced thermoplastic material with 172 × 106 (displacement) degrees of freedom. Copyright © 2016 John Wiley & Sons, Ltd.
Leukemic blasts are present at low levels in spinal fluid in one‐third of childhood acute lymphoblastic leukemia cases
Authors: Levinsen Mette , Marquart Hanne V. , Groth‐Pedersen Line , Abrahamsson Jonas , Albertsen Birgitte K. , Andersen Mette K. , Frandsen Thomas L. , Harila‐Saari Arja , Pronk Cornelis , Ulvmoen Aina , Vaitkevičienė Goda , Lähteenmäki Päivi M. , Niinimäki Riitta , Taskinen Mervi , Jeppesen Maria , Schmiegelow Kjeld ,   for the Nordic Society of Pediatric Hematology and Oncology (NOPHO)
Published: July 2016

Background

Central nervous system (CNS) involvement is associated with relapse in childhood acute lymphoblastic leukemia (ALL) and is a diagnostic challenge.

Procedure

In a Nordic/Baltic prospective study, we assessed centralized flow cytometry (FCM) of locally fixed cerebrospinal fluid (CSF) samples versus local conventional cytospin‐based cytology (CC) for detecting leukemic cells and evaluating kinetics of elimination of leukemic cells in CSF.

Results

Among 300 patients with newly diagnosed ALL, 87 (29%) had CSF involvement by FCM, while CC was positive in 30 (10%) of 299 patients with available CC data (P < 0.001). Patients with FCM+/CC+ had higher CSF leukemic blast counts compared to patients positive by FCM only (medians: 0.10 vs. 0.017 leukemic blasts/μl, P = 0.006). Patients positive by FCM had higher white blood cell counts in peripheral blood than patients negative by FCM (medians: 45 × 109/l vs. 10 × 109/l, P < 0.001), were younger (medians: 3 years vs. 4 years, P = 0.03), and more frequently had T‐cell ALL (18/87 vs. 16/213, P = 0.001). At treatment day 15, five of 52 patients (10%) who had CSF positive by FCM at diagnosis remained so despite at least two doses of weekly intrathecal chemotherapy.

Conclusions

Longer follow‐up is needed to clarify whether FCM positivity has prognostic significance and is an indicator for intensified CNS‐directed therapy.
Maintenance therapy of childhood acute lymphoblastic leukemia revisited—Should drug doses be adjusted by white blood cell, neutrophil, or lymphocyte counts?
Authors: Schmiegelow Kjeld , Nersting Jacob , Nielsen Stine Nygaard , Heyman Mats , Wesenberg Finn , Kristinsson Jon , Vettenranta Kim , Schrøeder Henrik , Weinshilboum Richard , Jensen Katrine Lykke , Grell Kathrine , Rosthoej Susanne
Published: July 2016

Background

6‐Mercaptopurine (6MP) and methotrexate (MTX) based maintenance therapy is a critical phase of childhood acute lymphoblastic leukemia treatment. Wide interindividual variations in drug disposition warrant frequent doses adjustments, but there is a lack of international consensus on dose adjustment guidelines.

Procedure

To identify relapse predictors, we collected 28,255 data sets on drug doses and blood counts (median: 47/patient) and analyzed erythrocyte (Ery) levels of cytotoxic 6MP/MTX metabolites in 9,182 blood samples (median: 14 samples/patient) from 532 children on MTX/6MP maintenance therapy targeted to a white blood cell count (WBC) of 1.5–3.5 × 109/l.

Results

After a median follow‐up of 13.8 years for patients in remission, stepwise Cox regression analysis did not find age, average doses of 6MP and MTX, hemoglobin, absolute lymphocyte counts, thrombocyte counts, or Ery levels of 6‐thioguanine nucleotides or MTX (including its polyglutamates) to be significant relapse predictors. The parameters significantly associated with risk of relapse (N = 83) were male sex (hazard ratio [HR] 2.0 [1.3–3.1], P = 0.003), WBC at diagnosis (HR = 1.04 per 10 × 109/l rise [1.00–1.09], P = 0.048), the absolute neutrophil count (ANC; HR = 1.7 per 109/l rise [1.3–2.4], P = 0.0007), and Ery thiopurine methyltransferase activity (HR = 2.7 per IU/ml rise [1.1–6.7], P = 0.03). WBC was significantly related to ANC (Spearman correlation coefficient, rs = 0.77; P < 0.001), and only a borderline significant risk factor for relapse (HR = 1.28 [95% CI: 1.00–1.64], P = 0.046) when ANC was excluded from the Cox model.

Conclusions

This study indicates that a low neutrophil count is likely to be the best hematological target for dose adjustments of maintenance therapy.
High Safety and Reliability Electric Detonator
Authors: Fousson Eric , Ritter Auguste , Arnold Thomas
Published: July 2016

The entry into force of the REACH regulation implies a modification of the low‐cost detonators manufacturing by finding new substances to replace common primary explosives that contain restricted chemicals. Herein, an alternative solution with a two‐stage electric detonator that contains only secondary high explosive is proposed. It is based on a two steps process, first a combustion, then a shock to detonation transition. This initiator shows high safety level and is compliant with the STANAGs and the REACH regulation. Contrarily to the EBW detonators, it can be initiated using low voltage and low current. Power supply system can be therefore very compact that is of great advantage for designing pyrotechnical train that have to be integrated into small pyrotechnical mechanisms.
Theoretical Study of Mechanism and Kinetics of the Reaction of NO2 with s‐Triazine
Authors: Zhang Ji‐Dong , Kang Li‐Hua , Cheng Xin‐Lu
Published: July 2016

The decomposition of nitramines explosives have been of great interest for a long time. However, theoretical investigations have concentrated mainly on unimolecular decomposition whereas bimolecular reactions have received only little attention. In this paper, the bimolecular reaction between NO2 with s‐triazine (TAZ), which is an initial product during the decomposition process of hexahydro‐1,3,5‐trinitro‐1,3,5‐triazine (RDX) is investigated. The structures and potential energy surface (PES) are explored at B3LYP/6‐31G(d,p) and B3P86/6‐31G(d,p) levels, and the energies are refined using the CCSD(T)/cc‐pVTZ methods. The mechanism of the reaction is analyzed. Quantum chemistry calculations reveal that the title reactions possess small barriers that can be similar to, or smaller than that of initial decomposition reactions of RDX, which suggests that bimolecular reactions are also of great importance, and should be further investigated. Moreover, the kinetics were investigated to verify the proposed mechanism of the reaction.
QM/MM studies on the calcium‐assisted β‐elimination mechanism of pectate lyase from bacillus subtilis
Authors: Ma Guangcai , Zhu Wenyou , Liu Yongjun
Published: July 2016

Pectate lyase utilizes the anti‐β‐elimination chemistry to catalyze the cleavage of α‐1,4 glycosidic bond between D‐galacturonate regions during the degradation of plant polysaccharide pectin. We report here detailed mechanistic studies of the Bacillus subtilis pectate lyase (BsPel) using QM/MM calculations. It was found that the residue Arg279 serves as the catalytic base to abstract the α‐proton from C52 atom of substrate Ada2 subsite, forming an unstable carbanion intermediate. The glycosidic bond of this intermediate is scissile to generate the 4,5‐unsaturated digalacturonate product and a negatively charged β‐leaving group. Two active site residues (Lys247 and Arg279) and two Ca2+ ions (Ca2 and Ca3) form hydrogen‐bonding and coordination interactions with C52COO− of Ada2, respectively, which facilitate the proton abstraction and stabilize the generated carbanion intermediates. Arg284 is not the potential proton donor to saturate the leaving group. Actually, the proton source of leaving group is the solvent water molecule rather than any active site acidic residues. In addition, the calculation results suggest that careful selections of QM‐ and Active‐regions are essential to accurately explore the enzymatic reactions. Proteins 2016; 84:1606–1615. © 2016 Wiley Periodicals, Inc.
Synthesis, characterization and systematic comparison of FITC‐labelled GnRH‐I, ‐II and ‐III analogues on various tumour cells
Authors: Murányi József , Gyulavári Pál , Varga Attila , Bökönyi Györgyi , Tanai Henriette , Vántus Tibor , Pap Domonkos , Ludányi Krisztina , Mező Gábor , Kéri György
Published: July 2016

Targeted tumour therapy is the focus of recent cancer research. Gonadotropin‐releasing hormone (GnRH) analogues are able to deliver anticancer agents selectively into tumour cells, which highly express GnRH receptors. However, the effectiveness of different analogues as targeting moiety in drug delivery systems is rarely compared, and the investigated types of cancer are also limited. Therefore, we prepared selectively labelled, fluorescent derivatives of GnRH‐I, ‐II and ‐III analogues, which were successfully used for drug targeting. In this manuscript, we investigated these analogues' solubility, stability and passive membrane permeability and compared their cellular uptake by various cancer cells.

We found that these labelled GnRH conjugates provide great detectability, without undesired cytotoxicity and passive membrane permeability. The introduced experiments with these conjugates proved their reliable tracking, quantification and comparison. Cellular uptake efficiency was studied on human breast, colon, pancreas and prostate cancer cells (MCF‐7, HT‐29, BxPC‐3, LNCaP) and on dog kidney cells (Madin–Darby canine kidney). Each of the three conjugates was taken up by GnRH‐I receptor‐expressing cells, but the different cells preferred different analogues. Furthermore, we demonstrated for the first time the high cell surface expression of GnRH‐I receptors and the effective cellular uptake of GnRH analogues on human pharynx tumour (Detroit‐562) cells.

In summary, our presented results detail that the introduced conjugates could be innovative tools for the examination of the GnRH‐based drug delivery systems on various cells and offer novel information about these peptides. Copyright © 2016 European Peptide Society and John Wiley & Sons, Ltd.
Conditional Weibull Control Charts Using Multiple Linear Regression
Authors: Piña‐Monarrez Manuel R.
Published: July 2016

Because in Weibull analysis, the key variable to be monitored is the lower reliability index (R(t)), and because the R(t) index is completely determined by both the lower scale parameter (η) and the lower shape parameter (β), then based on the direct relationships between η and β with the log‐mean (μx) and the log‐standard deviation (σx) of the analyzed lifetime data, a pair of control charts to monitor a Weibull process is proposed. Moreover, because the fact that in Weibull analysis, right censored data is common, and because it gives uncertainty to the estimated Weibull parameters, then in the proposed charts, μx and σx are estimated of the conditional expected times of the related Weibull family. After that both, μx and σx are used to monitor the Weibull process. In particular, μx was set as the lower control limit to monitor η, and σx was set as the upper control limit to monitor β. Numerical applications are used to show how the charts work. Copyright © 2016 John Wiley & Sons, Ltd.
Sediment Pulse Behaviour Following Dam Removal in Gravel‐Bed Rivers
Authors: Pace Kylie Marie , Tullos Desiree , Walter Cara , Lancaster Stephen , Segura Catalina
Published: July 2016

As dams approach the end of their useful life, there is need to predict where and how accumulated sediment will move following dam removal to estimate and mitigate the impacts of this process on aquatic habitat and infrastructure. Flume studies suggest that sediment pulses disperse in place for most dams, but it is hypothesized that certain conditions (e.g., low Froude number, fine pulse grain size, small pulse sizes, and large peak discharge) may characterize pulses that translate downstream. However, quantitative analyses of sediment pulse behavior have not been widely conducted in field settings. We thus analyzed bathymetric data from four field sites in Oregon to investigate the reliability of flume‐derived hypotheses (1) whether dispersion or translation dominates across a range of dam removal physiographies using multiple methods of evaluation and (2) if Froude number, pulse material grain size, relative pulse size, and discharge can predict reservoir sediment movement mode. Results indicated that dispersion generally dominated pulse behavior in the field setting, with some limited evidence of translational movement in individual years. The Froude number appeared to be the most reliable for anticipating pulse behavior. Further work is needed to link generalized sediment pulse behavior to sediment mobilization and transport processes. Copyright © 2016 John Wiley & Sons, Ltd.
X‐ray induced reduction of rhenium salts and supported oxide catalysts
Authors: Iqbal S. , Shozi M. L. , Morgan D. J.
Published: July 2016

The analysis of Re7+compounds has revealed a time‐dependent photoreduction during X‐ray photoelectron spectroscopy (XPS) measurements. Whilst such reduction of metal ions during XPS analysis is not uncommon, this is the first time that cases specifically for rhenium have been identified in the open literature. Copyright © 2016 John Wiley & Sons, Ltd.
Summary of ISO/TC 201 standard: ISO 11775:2015 – Surface chemical analysis – Scanning probe microscopy – Determination of cantilever normal spring constants
Authors: Clifford Charles A.
Published: July 2016

This International Standard describes five methods for the determination of normal spring constants for atomic force microscope cantilevers to an accuracy of 5 to 10%. Each method is in one of the three categories of dimensional, static experimental and dynamic experimental methods. The method chosen depends on the purpose, convenience and instrumentation available to the analyst. For accuracies better than 5 to 10%, more sophisticated methods, not described in the standard, are required. Copyright © 2016 Crown copyright. Surface and Interface Analysis © 2016 John Wiley & Sons, Ltd.
Field emission patterns showing symmetry of electronic states in graphene edges
Authors: Yokoyama Noboru , Nakakubo Kazuya , Iwata Kohji , Asaka Koji , Nakahara Hitoshi , Saito Yahachi
Published: July 2016

Intriguing field emission microscopy (FEM) images reflecting subnanometer‐sized structures of emitting sites and/or electronic orbitals have been observed from graphene edges. Graphene emitters with free edges (i.e. open edges) show a striped pattern (dubbed as a ‘lip pattern’) consisting of an array of streaked spots (or oval‐shaped spots); the direction of striation is perpendicular to the graphene sheet, and each stripe is divided into two wings by a central dark band running parallel to the graphene sheet. The dark band may be due to the distractive interference of electrons emitted from π orbitals with a phase difference of π on either side of the graphene. From the magnification calibration using FEM images of an aluminum cluster with atomic resolution, the spacing of the streaked spots is found to be close to the distance between adjacent carbon atoms aligned along the zigzag and armchair edges. These observations suggest that the lip pattern reflects the symmetry of π states strongly delocalized at edge atoms. Copyright © 2016 John Wiley & Sons, Ltd.
Highly Efficient p‐i‐n Perovskite Solar Cells Utilizing Novel Low‐Temperature Solution‐Processed Hole Transport Materials with Linear π‐Conjugated Structure
Authors: Li Yang , Xu Zheng , Zhao Suling , Qiao Bo , Huang Di , Zhao Ling , Zhao Jiao , Wang Peng , Zhu Youqin , Li Xianggao , Liu Xicheng , Xu Xurong
Published: July 2016

Alternative low‐temperature solution‐processed hole‐transporting materials (HTMs) without dopant are critical for highly efficient perovskite solar cells (PSCs). Here, two novel small molecule HTMs with linear π‐conjugated structure, 4,4′‐bis(4‐(di‐p‐toyl)aminostyryl)biphenyl (TPASBP) and 1,4′‐bis(4‐(di‐p‐toyl)aminostyryl)benzene (TPASB), are applied as hole‐transporting layer (HTL) by low‐temperature (sub‐100 °C) solution‐processed method in p‐i‐n PSCs. Compared with standard poly(3,4‐ethylenedioxythiophene): poly(styrenesulfonic acid) (PEDOT:PSS) HTL, both TPASBP and TPASB HTLs can promote the growth of perovskite (CH3NH3PbI3) film consisting of large grains and less grain boundaries. Furthermore, the hole extraction at HTL/CH3NH3PbI3 interface and the hole transport in HTL are also more efficient under the conditions of using TPASBP or TPASB as HTL. Hence, the photovoltaic performance of the PSCs is dramatically enhanced, leading to the high efficiencies of 17.4% and 17.6% for the PSCs using TPASBP and TPASB as HTL, respectively, which are ≈40% higher than that of the standard PSC using PEDOT:PSS HTL.
Cluster‐based test cases prioritization and selection technique for agile regression testing
Authors: Kandil Passant , Moussa Sherin , Badr Nagwa
Published: July 2016

Regression testing repeatedly executes test cases of previous builds to validate that the original features are not affected with any new changes. In recent years, regression testing has seen a remarkable progress with the increasing popularity of agile methods, which stress the central role of regression testing in maintaining software quality. The optimum case for regression testing in agile context is to run regression set at the end of each sprint and release, which requires a lot of cost and time. In this paper, we present an automated agile regression testing approach on both the sprints and release levels. The proposed approach addresses both weighted sprint test cases prioritization technique, which prioritizes test cases based on several parameters having real practical weight for testers, and Cluster‐based Release Test cases Selection technique that clusters user stories based on the similarity of covered modules to solve the scalability issue. Test cases are then selected based on issues logged for failed test cases using text mining techniques. The proposed approach achieves enhancement for both the prioritization and selection of test cases for agile regression testing. Copyright © 2016 John Wiley & Sons, Ltd.
English Activation Through Art: Tensions and Rewards
Authors: Choi Tat Heung
Published: July 2016

This article describes a unit of work framed by a rationale for activating English language learning through arts‐based practices that are suitable for preservice teachers who are nonnative speakers of English (seeking certification for teaching English as a second language). Because teachers of English are expected to use language arts to promote reading and develop their students' critical thinking skills and creativity, it is essential for them to be equipped with a repertoire of linguistic and cultural resources when they prepare to teach. In response to the frequent incongruity of teacher education with classroom reality, the sample unit of instruction offers practical and interactive activities together with prompts that teachers of English can adapt for their own curricular purposes. Vocabulary and linguistic structures are suggested in the unit plan in order to model effective and autonomous arts‐based classroom teaching. This article contributes to the field through practice‐oriented theorising about arts‐based instruction, which can be unified with academic language development to promote creative teaching and meet the standards‐based needs of the classroom.
High‐fidelity linear time‐invariant model of a smart rotor with adaptive trailing edge flaps
Authors: Bergami Leonardo , Hansen Morten H.
Published: July 2016

A high‐fidelity linear time‐invariant model of the aero‐servo‐elastic response of a wind turbine with trailing‐edge flaps is presented and used for systematic tuning of an individual flap controller. The model includes the quasi‐steady aerodynamic effects of trailing‐edge flaps on wind turbine blades and is integrated in the linear aeroelastic code HAWCStab2. The dynamic response predicted by the linear model is validated against non‐linear simulations, and the quasi‐steady assumption does not cause any significant response bias for flap deflection with frequencies up to 2–3 Hz. The linear aero‐servo‐elastic model support the design, systematic tuning and model synthesis of smart rotor control systems. As an example application, the gains of an individual flap controller are tuned using the Ziegler–Nichols method for the full‐order poles. The flap controller is based on feedback of inverse Coleman transformed and low‐pass filtered flapwise blade root moments to the cyclic flap angles through two proportional‐integral controllers. The load alleviation potential of the active flap control, anticipated by the frequency response of the linear closed‐loop model, is also confirmed by non‐linear time simulations. The simulations report reductions of lifetime fatigue damage up to 17% at the blade root and up to 4% at the tower bottom. Copyright © 2016 John Wiley & Sons, Ltd.
A Surfactants Walk to Work: Modes of Action of Citrate Controlling (10–10) and (000–1) Zinc Oxide Surface Growth from Solution
Authors: Milek Theodor , Zahn Dirk
Published: July 2016

Molecular dynamics simulations unravel the association of citrate to (10–10) and (000–1) growth fronts of zinc oxide and demonstrate an unexpected mobility of the surfactant. Citrate association to perfectly planar (10–10) and (000–1) ZnO‐ethanol interfaces was found to be favored over dissociation by 1.5–2 eV hence suggesting strongly bound, immobilized surfactants. However, intramolecular stress prevents binding of all three carboxyl groups to planar surfaces and the typical arrangement is that of two carboxyl‐Zn contacts (including two salt bridges each) whilst the remaining carboxyl group is dangling into the solvent. As a consequence, the surfactant exhibits a “walking” mechanism to move along the surface by exchanging the role of its carboxyl groups. This finding has strong implications for the role of citrate during crystal growth as illustrated by a recently developed simulation scheme based on hundreds of individual Zn2+ and OH– ion association steps. In particular, for the (10–10) surface – which grows via formation of ridges embedded by {10–10} faces – these simulations show how citrate ions move towards steps and bind to the growth front by additional 4 eV per surfactant molecule.
Structuring of Chicken Fat by Monoacylglycerols
Authors: Naderi Mehdi , Farmani Jamshid , Rashidi Ladan
Published: July 2016

In this study, we investigated the effect of monoacylglycerol (MAG) as a structuring agent on the physicochemical, microstructure and rheological properties of chicken fat. The fatty acid composition, oxidative stability, free fatty acids (FFA), slip melting point (SMP), solid fat content (SFC), kinetics of crystallization, microstructure and rheological properties of the samples were evaluated. The addition of MAG at a 0.5 % level did not affect the fatty acid composition, induction period of oxidation at 110 °C (IPox110), SFC curve or rheological properties of chicken fat (p > 0.05). However, structured samples containing 3.0 and 5.0 % MAG had higher saturated fatty acid (SFA) content, SFC, SMP, FFA content and IPox110 (p < 0.05). The addition of MAG led to a reduction in the IP of oxidation at 60 °C (IPox60) and increased the oxidation rate of fats, as measured by the Schaal oven test. Samples containing 3–5 % MAG had higher SFC content, higher loss, storage and complex moduli, higher complex viscosity, and a lower induction period of crystallization (IPcryst) and tan δ than chicken fat. Investigations by polarized light microscopy confirmed the presence of increased crystal content in samples containing higher MAG levels. These results show that structured chicken fats have the potential for application in the production of soft tub margarine and Iranian vanaspati.
Comparison of PACS and Bone Ninja mobile application for assessment of lower extremity limb length discrepancy and alignment
Authors: Whitaker Amanda T. , Gesheff Martin G. , Jauregui Julio J. , Herzenberg John E.
Published: July 2016

Purpose

There are over 500 medically related applications (apps) for mobile devices. Very few of these applications undergo testing and peer-review for accuracy. The purpose of this study is to assess the accuracy of limb deformity measurements on the Bone Ninja app compared to PACS and to determine the intra- and inter-observer variability among different orthopaedic practitioners.

Methods

Four participants (attending, senior and junior resident, and physician assistant) measured the leg length (LL), the lateral distal femoral angle (LDFA), and the medial proximal tibial angle (MPTA) of 48 limbs (24 patients), twice with both Bone Ninja and PACS. The difference between the measurements obtained with the Bone Ninja app and PACS were measured. We determined the consistency of the intra-observer intra-class correlation coefficient (ICC) for both systems.

Results

There were no statistical differences in leg length discrepancy (LLD), MPTA, or LDFA measurements between Bone Ninja and PACS ( p = 0.96, 0.87, and 0.97, respectively). The intra-observer ICC for the LL, LDFA, and MPTA was similar between Bone Ninja and PACS (0.83, 0.89, and 0.96 vs. 0.96, 0.93, and 0.95, respectively). The inter-observer ICC was similar between Bone Ninja and PACS (0.95, 0.96, and 0.99 vs. 0.99, 0.98, and 0.98, respectively).

Conclusions

This study demonstrates that Bone Ninja is an accurate educational tool for measuring LLD, LDFA, and MPTA. Both systems are reliable instruments for evaluating limb length differences and angles on standing radiographs for pre-operative deformity planning and education. This is the first study to evaluate the accuracy of Bone Ninja compared to the gold standard of PACS.