bluuebunny/crossref_metadata_2025 huggingface dataset:
Could the “Janus‐like” properties of the halobenzene CX bond (XCl, Br) be leveraged to enhance molecular recognition?
Authors: El Hage Krystel , Piquemal Jean‐Philip , Hobaika Zeina , Maroun Richard G. , Gresh Nohad
Published: November 2014

The CX bond in halobenzenes (XCl, Br) exhibits a dual character, being electron‐deficient along the CX direction, and electron‐rich on its flanks. We sought to amplify both features by resorting to electron‐withdrawing and electron‐donating substituents, respectively. This was done by quantum chemistry (QC) computations in the recognition sites of three protein targets: farnesyl transferase, coagulation factor Xa, and the HIV‐1 integrase. In this context, some substituents, notably fluorine, CF3, and NHCH3, afforded significant overall gains in the binding energies as compared to the parent halobenzene, in the 2–5 kcal/mol range. In fact, we found that some di‐ and up to tetra‐substitutions enabled even larger gains than those they contribute separately owing to many‐body effects. Moreover, desolvation was also found to be a key contributor to the energy balances. As a consequence, some particular substituents, contributing to reduce the halobenzene dipole moment, accordingly reduced solvation: this factor acted in synergy with their enhancement of the intermolecular interaction energies along and around the CX bond. We could thus leverage the “Janus‐like” properties of such a bond and the fact that it can be tuned and possibly amplified by well‐chosen substituents. We propose a simple yet rigorous computational strategy resorting to QC to prescreen novel substituted halobenzenes. The QC results on the recognition sites then set benchmarks to validate polarizable molecular mechanics/dynamics approaches used to handle the entirety of the inhibitor‐protein complex. © 2014 Wiley Periodicals, Inc.
Authentication of Polygonati Odorati Rhizoma and other two Chinese Materia Medica of the Liliaceae family by pharmacognosy technique with GC–MS analysis
Authors: Liu Yingjiao , Liu Canhuang , Yu Yafei , Xu Bei , Gong Limin , Zeng Xiaoyan , Xiao Lan , Cheng Qilai , Liu Tasi
Published: November 2014

Yuzhu (Polygonati Odorati Rhizoma), Kangdingyuzhu (Polygonati Prattii Rhizoma), and zhugenqiyuzhu (Disporopsis Fuscopictae Rhizoma) are of the same family, but of different genera. They have all often used in Chinese Materia Medica (CMM) as Polygonati Odorati Rhizoma in China market. Three species of CMM are confused. For better application, we need to identify these plants accurately. This study use pharmacognosy technique and GC‐MS analysis, three species of CMM were authenticated. In macroscopic characteristics, the fruit of Polygonati Odorati Rhizoma is blue‐black, while the other two are maroon and dark purple orderly. Nodes of Polygonati Odorati Rhizoma are upward and light uplift, about 1 cm spacing, while the other are not. As for microscopic characteristics, the cortex of Polygonati Odorati Rhizoma only occupies about 1/5 of the radius of the transverse section with inconspicuous endodermis, which is much smaller than others. The type of vascular bundles of Polygonati Odorati Rhizoma is closed collateral, but the other is amphivasal. Raphides of calcium oxalate are scattered, but Raphides of the other two are like brooms and neat rows. GC–MS analysis of essential oil could provide different characteristics to distinguish three species. Twenty‐three compounds were identified from essential oil of Polygonati Odorati Rhizoma and the main components were n‐hexadecanoic acid (49.45%), while n‐hexadecanoic acid of the other two are 23.92% and 9.45%. The content of n‐hexadecanoic is strongly different. This research was aimed to establish a method by pharmacognosy and GC–MS analysis to identify three CMM and for providing scientifical data to ensure accuracy of origin of three species. Microsc. Res. Tech. 78:119–127, 2015. © 2014 Wiley Periodicals, Inc.
Characterization of bone perfusion by dynamic contrast‐enhanced magnetic resonance imaging and positron emission tomography in the Dunkin–Hartley guinea pig model of advanced osteoarthritis
Authors: Dyke Jonathan P. , Synan Michael , Ezell Paula , Ballon Douglas , Racine Jennifer , Aaron Roy K.
Published: November 2014

This study characterizes changes in subchondral bone circulation in OA and examines relationships to bone structure and cartilage degeneration in Dunkin–Hartley guinea pigs. We have used dynamic contrast‐enhanced MRI (DCE‐MRI) and PET, with pharmacokinetic modeling, to characterize subchondral bone perfusion. Assessments are made of perfusion kinetics and vascular permeability by MRI, and blood volume and flow, and radionuclide incorporation into bone, by PET. These parameters are compared to cartilage lesion severity and bone histomorphometry. Assessments of intraosseous thrombi are made morphologically. Prolonged signal enhancement during the clearance phase of MRI correlated with OA severity and suggested venous stasis. Vascular permeability was not increased indicating that transvascular migration of contrast agent was not responsible for signal enhancement. Intraosseous thrombi were not observed. Decreased perfusion associated with severe OA was confirmed by PET and was associated with reduced radionuclide incorporation and osteoporosis. MRI and PET can be used to characterize kinetic parameters of circulation in OA and correlate them with subchondral bone metabolism of interest to the pathophysiology of OA. The significance of these observations may lie in alterations induced in the expression of cytokines by OA osteoblasts that are related to bone remodeling and cartilage breakdown. © 2014 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 33:???–???, 2015.
Development and evaluation of an intelligent traceability system for frozen tilapia fillet processing
Authors: Xiao Xinqing , Fu Zetian , Qi Lin , Mira Trebar , Zhang Xiaoshuan
Published: November 2014

BACKGROUND

The main export varieties in China are brand‐name, high‐quality bred aquatic products. Among them, tilapia has become the most important and fast‐growing species since extensive consumer markets in North America and Europe have evolved as a result of commodity prices, year‐round availability and quality of fresh and frozen products. As the largest tilapia farming country, China has over one‐third of its tilapia production devoted to further processing and meeting foreign market demand.

RESULTS

Using by tilapia fillet processing, this paper introduces the efforts for developing and evaluating ITS‐TF: an intelligent traceability system integrated with statistical process control (SPC) and fault tree analysis (FTA). Observations, literature review and expert questionnaires were used for system requirement and knowledge acquisition; scenario simulation was applied to evaluate and validate ITS‐TF performance.

CONCLUSION

The results show that traceability requirement is evolved from a firefighting model to a proactive model for enhancing process management capacity for food safety; ITS‐TF transforms itself as an intelligent system to provide functions on early warnings and process management by integrated SPC and FTA. The valuable suggestion that automatic data acquisition and communication technology should be integrated into ITS‐TF was achieved for further system optimization, perfection and performance improvement. © 2014 Society of Chemical Industry
A split face study to document the safety and efficacy of clearance of melasma with a 5 ns q switched Nd YAG laser versus a 50 ns q switched Nd YAG laser
Authors: Alsaad Salman M. S. , Ross E. Victor , Mishra Vineet , Miller Lee
Published: November 2014

Background and Objectives

To determine the safety and efficacy of a 50 ns Q switched Nd YAG laser vs. a 5 ns Q switched Nd YAG laser for clearance of melasma. To compare subject satisfaction, efficacy, and comfort level between the two lasers.

Study Design/Materials and Methods

This is a prospective, randomized split face clinical study. The study was approved by the Scripps IRB. Ten healthy female subjects with moderate to severe melasma were enrolled. Each subject had three laser treatments one month apart. Patients were followed up approximately 1 month, 3 months, and 6 months after the final laser treatment. A treatment session consisted of a microdermabrasion, 1064 nm QS laser, and topicals. Subjects were asked to rate treatment pain based on a numerical scale range 0–10 (0 = no pain and 10 = worst pain). A melasma area and severity index (MASI) grading system was applied. Also, melanin measurements were acquired by a reflectance spectrophotometer. Side effects were documented during the study including post treatment erythema.

Results

Eight patients completed the study. Subjects showed improvement on both sides of the face. From baseline to 1 month post the final laser treatment, the average MASI scores showed a 16% reduction for the 50 ns QS 1064 nm laser vs. a 27% reduction for the 5 ns QS 1064 nm laser (both significant versus baseline pigment, P < 0.05). This difference in MASI scores between the two lasers was not statistically significant (P = 0.87930). Laser treatments displayed mild erythema that resolved after one day. The melanin meter measurements showed a reduction in pigment readings on both sides. Three months after the final treatment there was some relapse in the melasma, as the mean pigment reduction fell to 12% for the 50 ns laser and 11% for the 5 ns laser. By 3 months pigment reduction was not statistically significant for either laser, and no significant differences in pigment reduction were noted between the two pulse durations. There was a statistically significant difference (P < 0.05) in pain scores reported by the subjects (scale 0–10), the mean pain score for 50 ns QS 1064 nm laser was 1.2 and for the 5 ns QS 2.9 the score was 2.9.

Conclusions

In this study, we showed that a combination of microdermabrasion, QS1064 nm laser, and topicals decreased the MASI and meter scores without clinically significant side effects. Moreover, the longer pulsed Q switched 1064 nm laser i.e. (50 ns) was associated with less pain than its shorter pulse width counterpart. Lasers Surg. Med. 46:736–740, 2014. © 2014 Wiley Periodicals, Inc.
Elastin‐Like Polypeptide Based Nanoparticles: Design Rationale Toward Nanomedicine
Authors: Smits Ferdinanda C. M. , Buddingh Bastiaan C. , van Eldijk Mark B. , van Hest Jan C. M.
Published: November 2014

Elastin‐like polypeptides (ELPs) are characterized by a high sequence control, temperature responsiveness and biocompatibility, which make them highly interesting as smart materials for application in nanomedicine. In particular the construction of ELP‐based nanoparticles has recently become a focal point of attention in materials research. This review will give an overview of the ELP‐based nanoparticles that have been developed until now and their underlying design principles. First a short introduction on ELPs and their stimulus‐responsive behavior will be given. This characteristic has been applied for the development of ELP‐based block copolymers that can self‐assemble into nanoparticles. Both the fully ELP‐based as well as several ELP hybrid materials that have been reported to form nanoparticles will be discussed, which is followed by a concise description of the promising biomedical applications reported for this class of materials.
Aliphatic Polycarbonates Based on Carbon Dioxide, Furfuryl Glycidyl Ether, and Glycidyl Methyl Ether: Reversible Functionalization and Cross‐Linking
Authors: Hilf Jeannette , Scharfenberg Markus , Poon Jeffrey , Moers Christian , Frey Holger
Published: November 2014

Well‐defined poly((furfuryl glycidyl ether)‐co‐(glycidyl methyl ether) carbonate) (P((FGE‐co‐GME)C)) copolymers with varying furfuryl glycidyl ether (FGE) content in the range of 26% to 100% are prepared directly from CO2 and the respective epoxides in a solvent‐free synthesis. All materials are characterized by size‐exclusion chromatography (SEC), 1H NMR spectroscopy, and differential scanning calorimetry (DSC). The furfuryl‐functional samples exhibit monomodal molecular weight distributions with in the range of 1.16 to 1.43 and molecular weights () between 2300 and 4300 g mol−1. Thermal properties reflect the amorphous structure of the polymers. Both post‐functionalization and cross‐linking are performed via Diels–Alder chemistry using maleimide derivatives, leading to reversible network formation. This transformation is shown to be thermally reversible at 110 °C.

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Ulnar motor study to first dorsal interosseous: Best reference electrode position and normative data
Authors: Buschbacher Ralph M. , Bayindir Ozun , Malec James , Akyuz Gulseren
Published: November 2014

Introduction: Reference electrode position affects nerve conduction study results. This study was undertaken to determine the optimal reference electrode position for ulnar motor recording from the first dorsal interosseous (FDI) muscle and to develop normative data. Methods: Fifty‐one subjects were tested using reference electrode positions on the thumb, index, and little fingers. Latencies were compared with a needle recording from the FDI. Analysis was performed to determine the surface placement that most closely matched the needle recording latency. A normative database was then derived on 100 healthy subjects. Results: Placing the reference electrode on the thumb yielded results closest to the “gold standard” needle recording latency. The 97th percentile (upper limit of normal) for latency was 4.0 ms. The 3rd percentile values (lower limit of normal) for amplitude were 9.0 mV for men and 9.3 mV for women. Conclusions: The reference position on the thumb yields latencies that most closely approximate needle recording. Normative data are presented. Muscle Nerve 52: 231–233, 2015
Effects of weight‐focused social comparisons on diet and activity outcomes in overweight and obese young women
Authors: Rancourt Diana , Leahey Tricia M. , LaRose Jessica Gokee , Crowther Janis H.
Published: November 2014

Objective

To investigate social comparison processes as a potential mechanism by which social networks impact young women's weight control thoughts and behaviors and to examine whether social comparisons with close social ties (i.e., friends) have a greater influence on weight control outcomes relative to more emotionally distant ties.

Methods

Using Ecological Momentary Assessment, overweight young adult women (N = 46; M age = 19; M BMI = 29) reported the nature and effects of weight‐focused social comparisons on dieting and exercising intentions and on behaviors during their daily routine.

Results

Relative to social comparisons to targets of the same weight, weight‐focused comparisons to both thinner and heavier individuals led to increased thoughts of dieting and exercising. Moreover, comparisons to thinner targets also increased the likelihood of engaging in actual dieting and exercising behaviors. Weight comparisons to friends amplified these effects.

Conclusions

Weight‐focused social comparisons may be one mechanism by which social networks impact weight control thoughts and behaviors. Obesity interventions with young adults may achieve better outcomes by harnessing social comparison processes in treatment.
Effects of β‐nucleating agent and crystallization conditions on the crystallization behavior and polymorphic composition of isotactic polypropylene/multi‐walled carbon nanotubes composites
Authors: Kang Jian , He Jinghan , Chen Zhengfang , Yang Feng , Chen Jinyao , Cao Ya , Xiang Ming
Published: November 2014

In this study, the effects of crystallization conditions (cooling rate and end temperature of cooling) on crystallization behavior and polymorphic composition of isotactic polypropylene/multi‐walled carbon nanotubes (iPP/MWCNTs) composites nucleated with different concentrations of β‐nucleating agent (tradename TMB‐5) were investigated by differential scanning calorimetry (DSC), wide‐angle X‐ray diffraction (WAXD) and scanning electronic microscopy (SEM). The results of DSC, WAXD and SEM revealed that the addition of MWCNTs and TMB‐5 evidently elevates crystallization temperatures and significantly decreases the crystal sizes of iPP. Because of the competition between α‐nucleation (provided by MWCNTs) and β‐nucleation (induced by TMB‐5), the β‐phase crystallization takes place only when 0.15 wt% and higher concentration of TMB‐5 is added. Non‐isothermal crystallization kinetics study showed that the crystallization activation energy ΔE of β‐nucleated iPP/MWCNTs composites is obviously higher than that of pure iPP, which slightly increases with the increase of TMB‐5 concentration, accompanying with the transition of its polymorphic crystallization behavior. The results of non‐isothermal crystallization and melting behavior suggested that the cooling rate and end temperature of cooling (Tend) are important factors in determining the proportion and thermal stability of β‐phase: Lower cooling rate favors the formation of less amount of β‐phase with higher thermal stability, while higher cooling rate encourages the formation of higher proportion of β‐phase with lower thermal stability. The Tend = 100°C can eliminate the β–α recrystallization during the subsequent heating and therefore enhance the thermal stability of the β‐phase. By properly selecting TMB‐5 concentration, cooling rate and Tend, high β‐phase proportion of 88.9% of the sample was obtained. Copyright © 2014 John Wiley & Sons, Ltd.
Synthesis and characterization of a nano‐hydroxyapatite/chitosan/polyethylene glycol nanocomposite for bone tissue engineering
Authors: Shakir Mohammad , Jolly Reshma , Khan Mohd Shoeb , Iram Noor‐e , Sharma Tarun Kumar , Al‐Resayes Saud Ibrahim
Published: November 2014

A novel nanocomposite involving nano‐hydroxyapatite/chitosan/polyethylene glycol (n‐HAP/CS/PEG) has been successfully synthesized via co‐precipitation approach at room temperature. The purpose to synthesize such nanocomposite is to search for an ideal analogue which may mimick the composition of natural bone for bone tissue engineering with respect to suitable biocompatibility, cytotoxicity and mechanical properties. The FTIR spectra of n‐HAP/CS and n‐HAP/CS/PEG scaffolds indicated significant intermolecular interaction between the various components of both the nanocomposites. The results of XRD, TEM and TGA/DTA suggested that the crystallinity and thermal stability of the n‐HAP/CS/PEG scaffold have decreased and increased respectively, relative to n‐HAP/CS scaffold. The comparison of SEM images of both the scaffolds indicated that the incorporation of PEG influenced the surface morphology while a better in‐vitro bioactivity has been observed in n‐HAP/CS/PEG than in n‐HAP/CS based on SBF study, referring a greater possibility for making direct bond to living bone if implanted. Furthermore, MTT assay revealed superior non‐toxic nature of n‐HAP/CS/PEG to murine fibroblast L929 cells as compared to n‐HAP/CS. The comparative swelling studies of n‐HAP/CS/PEG and n‐HAP/CS scaffolds revealed a better swelling rate for n‐HAP/CS/PEG. Also n‐HAP/CS/PEG showed higher mechanical strength relative to n‐HAP/CS supportive of bone tissue ingrowths. Copyright © 2014 John Wiley & Sons, Ltd.
Organically modified montmorillonite polymer nanocomposites for stereolithography building process
Authors: Esposito Corcione C. , Striani R. , Montagna F. , Cannoletta D.
Published: November 2014

Novel photopolymerizable nanocomposite formulations, able to photopolymerize with a dual curing mechanism (cationic and radical), were developed, characterized and used in the stereolithography (SL) process for the construction of 3D objects with a very simple geometry. The influence of the presence of organically modified montmorillonite (OM) nanoparticles on the reactivity of the photopolymerizable liquid mixtures was firstly analyzed, as function of the amount of nanofiller, by photocalorimetric analysis (p‐DSC). The basal distance of OM before and after mixing with the photocurable formulation was characterized by X‐ray diffraction. Composites with higher content of OM show an intercalated structure. An exfoliated structure was instead observed in the composites with the lowest OM content, after photocuring in the SL apparatus. These results were also confirmed by the morphological analysis performed by SEM. The glass transition temperature of nanocomposites, photocured by stereolithography, was finally measured by TMA and DSC techniques, confirming that the photocurable formulation loaded with the lowest amount of OM presents improved properties than the unloaded formulation. Copyright © 2014 John Wiley & Sons, Ltd.
Modifying the luminescence characteristics of Lu2O3:Eu large nanocrystals with polycarbonate host
Authors: Frackowiak Stanislaw , Zych Eugeniusz , Kozlowski Marek , Kepinski Leszek
Published: November 2014

Lu2O3:Eu phosphor fine powder with average size of crystallites of about 100–150 nm was synthesized. TEM images proved only an insignificant agglomeration of the phosphor. Using these fine particles and commercial polycarbonate a composite material was prepared in a form of 2 mm thick plate and its spectroscopic properties were compared to the powder. While the emission and luminescence excitation spectra were found very similar in both types of materials, the decay times of the Eu3+ red luminescence appeared to drop from 1.8–2 ms for the powder to 0.9–1 ms for the composite, with the latter value being perfectly the same as for the coarse‐grained sintered translucent ceramics. Since the refractive indices of Lu2O3 host and the polycarbonate are 1.935 and 1.582, respectively, such a drastic change in the Eu3+ emission kinetics could not be fully explained by the variations of this parameter only. This result is with some disagreement with previously published data. POLYM. COMPOS., 37:1330–1334, 2016. © 2014 Society of Plastics Engineers
External stimulus‐responsive interfaces in polymer nanocomposites
Authors: dos Santos Meriane Cristine , Oliveira Patricio Patrícia S. , Oréfice Rodrigo Lambert
Published: November 2014

Materials that can switch from stiff to soft or from brittle to tough by slightly changing the temperature, pH, electric, or magnetic fields of their environments, can have a pronounced impact on many applications, including sensors, biomedical materials for less invasive surgeries, and packaging materials. In this work, temperature‐sensitive poly(N‐isopropyl acrylamide) grafts and low molar mass polyethylene glycol were incorporated in the interfacial region between clay nanoparticles and a bacteria‐derived polyhydroxybutyrate matrix to determine if the application of an external stimulus, such as small changes in temperature, could increase the toughness of the nanocomposites. The obtained materials were characterized by using thermal analysis, infrared spectroscopy, dynamic light scattering and dynamic mechanical tests. Mechanical properties were also evaluated at different temperatures and showed that small changes in temperature, such as from 25°C to 40°C, led to a pronounced increase in strain at break of the nanocomposites containing the modified interface. The external stimulus associated with the increase in temperature from 25°C to 40°C can reduce the interfacial interactions between clay and polymer matrix and create a highly plasticized polymer layer between the components of the nanocomposite, which favored the sliding of the interface and ultimately led to high values of elongation. POLYM. COMPOS., 37:1342–1349, 2016. © 2014 Society of Plastics Engineers
Directed self‐assembly of linear arrays of block copolymer cylinders
Authors: Laachi Nabil , Iwama Tatsuhiro , Delaney Kris T. , Shykind David , Weinheimer Corey J. , Fredrickson Glenn H.
Published: November 2014

We investigate the directed self‐assembly (DSA) of cylinder‐forming block copolymers inside extended guiding templates of different sizes and shapes. We focus in particular on templates that promote the formation of linear arrays of two or three cylinders for contact hole multiplication. Using self‐consistent field theory (SCFT) simulations, we uncover the existence windows for two‐ and three‐cylinder arrays and assess their stability relative to other defective morphologies present in the templates. From SCFT simulations, templates in which three DSA cylinders are the lowest free energy configuration are more prone to defective morphologies in comparison to narrower templates with a two cylinder ground state. The size, placement and pitch of the defect‐free structures are estimated for different template sizes and shapes. Beyond the thermodynamic description of the self‐assembly process and the ensuing equilibrium properties, we also consider the equally important issue of the kinetics of melting of defects into perfect structures. Using the string method, we compute the most probable kinetic pathways that anneal elementary defects into a desired perfect array of cylinders. Similar to our findings on defectivity levels, defects in three‐cylinder‐friendly templates are associated with high kinetic barriers > 8 kT while their counterparts in narrower templates more readily dissipate into two‐cylinder states after crossing barriers < 2 kT. © 2014 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys. 2015, 53, 317–326
Physiologic findings in children previously ventilator dependent at home due to bronchopulmonary dysplasia
Authors: Cristea A. Ioana , Ackerman Veda L. , Swigonski Nancy L. , Yu Zhangsheng , Slaven James E. , Davis Stephanie D.
Published: November 2014

Introduction

Bronchopulmonary dysplasia (BPD) is the primary respiratory complication of premature birth. Some preterm newborns develop chronic respiratory failure, requiring home ventilator support. While physiologic measures have been described for prematurely born children, little is known about spirometric indices in patients with severe BPD who were previously ventilator dependent at home.

Methods

We retrospectively reviewed medical charts of patients with severe BPD who were ventilator dependent at home. We excluded patients with other comorbidities that could contribute to the severity of BPD. Spirometry was performed when the patient was able to follow commands.

Results

Between 1984 and 2012, within our severe BPD cohort who previously required home ventilator support, 19 patients were able to perform reproducible spirometry meeting ATS/ERS acceptability criteria. Ten (52.6%) were females, 13 (68.4%) were Caucasians. Mean age at liberation from ventilation was 2.4 years (C.I. 2.0, 2.9) and at decannulation was 3.5 years (C.I. 2.9, 4.0); median age at first reproducible spirometry measurement was 6.6 years (IQR: 4.9, 8.3). Spirometry results revealed significant airway obstruction, as demonstrated by Z‐scores values of −1.5 (C.I. −2.5, −0.4) for FVC, −2.7 (C.I. −3.3, −1.9) for FEV1, and −3.6 (C.I. −4.3, −2.9) for FEF25–75. More so, serial spirometric measurements' slopes revealed that the airway obstruction remained static over time (FEV1 slope: −0.07, P‐value: 0.2624; FVC slope: −0.01, P‐value: 0.9064; and FEF25–75: 0.0, P‐value: 0.8532).

Conclusions

Extreme prematurity associated with severe BPD requiring home ventilator support carries significant risks of morbidity. These patients had substantially diminished respiratory function reflecting airflow abnormalities that remained static over time. Pediatr Pulmonol. 2015; 50:1113–1118. © 2014 Wiley Periodicals, Inc.
Proteomics of pulmonary hypertension: Could personalized profiles lead to personalized medicine?
Authors: Colvin Kelley L. , Yeager Michael E.
Published: November 2014

Pulmonary hypertension (PH) is a fatal syndrome that arises from a multifactorial and complex background, is characterized by increased pulmonary vascular resistance and right heart afterload, and often leads to cor pulmonale. Over the past decades, remarkable progress has been made in reducing patient symptoms and delaying the progression of the disease. Unfortunately, PH remains a disease with no cure. The substantial heterogeneity of PH continues to be a major limitation to the development of newer and more efficacious therapies. New advances in our understanding of the biological pathways leading to such a complex pathogenesis will require the identification of the important proteins and protein networks that differ between a healthy lung (or right ventricle) and a remodeled lung in an individual with PH. In this article, we present the case for the increased use of proteomics—the study of proteins and protein networks—as a discovery tool for key proteins and protein networks operational in the PH lung. We review recent applications of proteomics in PH, and summarize the biological pathways identified. Finally, we attempt to presage what the future will bring with regard to proteomics in PH and offer our perspectives on the prospects of developing personalized proteomics and custom‐tailored therapies.
Crystal structure of human insulin‐regulated aminopeptidase with specificity for cyclic peptides
Authors: Hermans Stefan J. , Ascher David B. , Hancock Nancy C. , Holien Jessica K. , Michell Belinda J. , Chai Siew Yeen , Morton Craig J. , Parker Michael W.
Published: November 2014

Insulin‐regulated aminopeptidase (IRAP or oxytocinase) is a membrane‐bound zinc‐metallopeptidase that cleaves neuroactive peptides in the brain and produces memory enhancing effects when inhibited. We have determined the crystal structure of human IRAP revealing a closed, four domain arrangement with a large, mostly buried cavity abutting the active site. The structure reveals that the GAMEN exopeptidase loop adopts a very different conformation from other aminopeptidases, thus explaining IRAP's unique specificity for cyclic peptides such as oxytocin and vasopressin. Computational docking of a series of IRAP‐specific cognitive enhancers into the crystal structure provides a molecular basis for their structure–activity relationships and demonstrates that the structure will be a powerful tool in the development of new classes of cognitive enhancers for treating a variety of memory disorders such as Alzheimer's disease.
First‐principles investigation of the GaN growth process in carbon‐added Na‐flux method
Authors: Kawamura Takahiro , Imabayashi Hiroki , Maruyama Mihoko , Imade Mamoru , Yoshimura Masashi , Mori Yusuke , Morikawa Yoshitada
Published: November 2014

We hypothesized that a nitrogen transportation process mediated by cyanide (CN) ions causes the observed increase in growth rate by carbon addition in the Na‐flux growth of GaN. Using first‐principles calculations, we investigated the probability of the nitrogen transportation process from the viewpoint of change of free energy. In addition, to verify whether the CN can separate into N and C atoms, we estimated the C–N bond energy on the GaN crystal surface by the blue‐moon method using constrained molecular dynamics simulations.
Nanoengineered polymeric capsules as elements of unconventional computing systems
Authors: Erokhina Svetlana , Pastorino Laura
Published: November 2014

Nanoengineered polymeric capsules are smart objects with a shell of 4‐20 nm thick and a core volume, that can be filled with the different substances. The capsules can be delivered to a desirable place and the encapsulated material release can be triggered by the variation of the environmental medium parameters or by the external action. In this paper, we present important steps of the capsule preparation and discuss how they can be used in the field of chemical and bio‐chemical unconventional computer systems. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The titanium oxide memristor contact material's influence on element's cyclic stability to degradation
Authors: Khrapovitskaya Yulia , Maslova Natalia , Sokolov Ivan , Grishchenko Yulia , Mamichev Dmitry , Zanaveskin Maxim
Published: November 2014

The effect of contact material on cyclic degradation stability of titanium oxide based memristor has been investigated. The memristors were made by pulsed laser deposition which has several advantages in comparison with other methods of memristor fabrication. The use of gold instead of platinum as a contact allows significantly the increase in memristor endurance. The results obtained are interpreted with a lower oxygen diffusion by gold contact compared to platinum which retains the properties of memristor functional layers. The titanium oxide memristor with high stability to cyclic resistive switching (up to 3000 cycles) has been obtained. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Modified Atmosphere Packaging of Guava Fruit
Authors: Antala D. K. , Varshney A. K. , Davara P. R. , Sangani V. P.
Published: November 2014

Fully matured fresh guava fruits (Lucknow‐49) were precooled at 10 °C for 1 h and pretreated with 500‐ppm benomyl for 5 min. The fruits were packed in 25‐µm and 50‐µm LDPE bags with active modified atmosphere packaging of 3% O2 + 5% CO2, 6% O2 + 5% CO2 and 9% O2 + 5% CO2 gas concentrations and stored at 5 ± 1 °C and 10 ± 1 °C temperatures as well as non‐packaged as control. The shelf life of guava could be increased up to 42 days by packaging in 50‐µm LDPE bags with a gas concentration of 9% O2 + 5% CO2 and stored at 10 °C without much change in physical, biochemical and sensory characteristics. Physico‐chemical changes viz., PLW, pulp to peel ratio, firmness, TSS, total sugar, ascorbic acid and titratable acidity were observed minimum for fruits packed in 50‐µm LDPE bags at 3% O2 + 5% CO2 gas concentration at 5 °C storage temperature, but sensory score decreased drastically after 21 days of storage. Chilling injury was observed for the fruits packed at 5 °C storage temperature after 21 days of storage, and it was severe in 25‐µm LDPE bag at later stage. Control fruits over‐ripened with the highest weight loss (12.47%) on 6 days of storage and discarded from the storage. Copyright © 2014 John Wiley & Sons, Ltd.
Electrical Coupling Between Cells and Graphene Transistors
Authors: Hess Lucas H. , Becker‐Freyseng Christoph , Wismer Michael S. , Blaschke Benno M. , Lottner Martin , Rolf Felix , Seifert Max , Garrido Jose A.
Published: November 2014

In this work, both experimental data and a model are presented on the coupling between living cells and graphene solution‐gated field‐effect transistors. Modified HEK 293 cells are successfully cultured on graphene transistor arrays and electrically accessed by the patch clamp method. Transistor recordings are presented, showing the opening and closing of voltage‐gated potassium ion channels in the cell membrane. The experimental data is compared with the broadly used standard point‐contact model. The ion dynamics in the cell–transistor cleft are analyzed to account for the differences between the model and the experimental data revealing a significant increase in the total ionic strength in the cleft. In order to describe the influence of the ion concentration resulting from the cell activity, the ion‐sensitivity of graphene solution‐gated field‐effect transistors is investigated experimentally and modelled by considering the screening effect of the ions on the surface potential at the graphene/electrolyte interface. Finally, the model of the cell–transistor coupling is extended to include the effect of ion accumulation and ion sensitivity. The experimental data shows a very good agreement with this extended model, emphasizing the importance of considering the ion concentration in the cleft to properly understand the cell‐transistor coupling.
Effect of strain rate on tensile properties of polyurethane/(multiwalled carbon nanotube) nanocomposite
Authors: Moghim Mohammad Hadi , Zebarjad Seyed Mojtaba
Published: November 2014

In this research, polyurethane (PU)/(carbon nanotube) (CNT) samples, with two different contents of multiwalled carbon nanotubes (MWCNTs; i.e., 0.5 and 1.0 wt%) were fabricated through a solution casting method. To investigate the effect of strain rate on tensile properties, tensile tests were done on standard samples at constant temperature and different strain rates (2 × 10−5 to 2 × 10−2 s−1). Eyring's model was performed to clarify the role of both strain rate and CNTs content on activation volume and activation enthalpy of PU. To elucidate the role of strain rate and CNTs content on fracture behavior of PU, fracture surfaces of some samples were also investigated by scanning electron microscopy. The results of tensile tests show the intense effect of strain rate on tensile properties of PU/MWCNTs nanocomposites. Also, it was proved that the dependency of tensile properties of PU nanocomposites on strain rate decreases as CNTs content increases. The microscopic observations of the samples also demonstrate that increasing the strain rate changes the behavior of the fracture surface to less a ductile fracture, and increasing CNTs content causes much surface roughness. Finally, by investigation of the activation enthalpies, it is confirmed that much higher enthalpy is needed to fracture the samples with increased MWCNTs content, as the activation enthalpy changes from 45 for neat PU to 131 kJ/mol for PU/(1% MWCNTs) samples. J. VINYL ADDIT. TECHNOL., 22:356–361, 2016. © 2014 Society of Plastics Engineers
Changing brains: how longitudinal functional magnetic resonance imaging studies can inform us about cognitive and social‐affective growth trajectories
Authors: Crone Eveline A. , Elzinga Bernet M.
Published: November 2014

Brain imaging studies have demonstrated widespread changes in brain networks which support cognitive and social‐affective development. These conclusions, however, are largely based on cross‐sectional comparisons, which limits the possibility to investigate growth trajectories and detect individual changes. Understanding individual growth patterns is crucial if we want to ultimately understand how brain development is sensitive to environmental influences such as educational or psychological interventions or childhood maltreatment. Recently, longitudinal brain imaging studies in children and adolescents have taken the first steps into examining cognitive and social‐affective brain functions longitudinally with several compelling findings. First, longitudinal measurements show that activations in some brain regions, such as the prefrontal, temporal, and parietal cortex, are relatively stable over time and can be used as predictors for cognitive functions, whereas activations in other brain regions, such as the amygdala and ventral striatum, are much more variable over time. Second, developmental studies reveal how these changes are related to age, puberty, and changes in performance. These findings have implications for understanding how environmental factors influence brain development. An important future direction will be to examine individual characteristics (e.g., genetic, temperamental, personality) which make individuals differentially susceptible to their environment. WIREs Cogn Sci 2015, 6:53–63. doi: 10.1002/wcs.1327

This article is categorized under:

Psychology > Brain Function and Dysfunction

Psychology > Development and Aging

Neuroscience > Cognition
Numerical simulation of turbulent flow through Schiller’s wavy pipe
Authors: Daschiel G. , Krieger V. , Jovanović J. , Delgado A.
Published: November 2014

The development of incompressible turbulent flow through a pipe of wavy cross-section was studied numerically by direct integration of the Navier–Stokes equations. Simulations were performed at Reynolds numbers of $4.5\times 10^{3}$ and $10^{4}$ based on the hydraulic diameter and the bulk velocity. Results for the pressure resistance coefficient ${\it\lambda}$ were found to be in excellent agreement with experimental data of Schiller (Z. Angew. Math. Mech., vol. 3, 1922, pp. 2–13). Of particular interest is the decrease in ${\it\lambda}$ below the level predicted from the Blasius correlation, which fits almost all experimental results for pipes and ducts of complex cross-sectional geometries. Simulation databases were used to evaluate turbulence anisotropy and provide insights into structural changes of turbulence leading to flow relaminarization. Anisotropy-invariant mapping of turbulence confirmed that suppression of turbulence is due to statistical axisymmetry in the turbulent stresses.
Analogous formulation of electrodynamics and two-dimensional fluid dynamics
Authors: Salmon Rick
Published: November 2014

A single, simply stated approximation transforms the equations for a two-dimensional perfect fluid into a form that is closely analogous to Maxwell’s equations in classical electrodynamics. All the fluid conservation laws are retained in some form. Waves in the fluid interact only with vorticity and not with themselves. The vorticity is analogous to electric charge density, and point vortices are the analogues of point charges. The dynamics is equivalent to an action principle in which a set of fields and the locations of the point vortices are varied independently. We recover classical, incompressible, point vortex dynamics as a limiting case. Our full formulation represents the generalization of point vortex dynamics to the case of compressible flow.
Why are so many Indigenous Women Homeless in Far North and North West Queensland, Australia? Service Providers’ Views of Causes
Authors: Graham Deborah , Wallace Valda , Selway Deb , Howe Elizabeth , Kelly Tamara
Published: November 2014

Homelessness is a complex problem affecting Australian Indigenous women disproportionately compared to the rest of the Australian population. Homelessness service providers in Cairns and Mount Isa, Australia, provided their perceptions as to why Indigenous women were presenting to homeless services. The key reasons cited by service providers were: domestic violence; alcohol and other drugs; and financial hardship. Other reasons included racist real estate agents; avoiding alcohol and family; overcrowding; literacy and numeracy skills; difficulty returning home and; not enough public housing. Potential solutions to help break this cycle of homelessness are explored. This research suggests that an important overall goal in reducing homelessness is to ensure that Indigenous women are safe at home in their own communities.
GENERATING HEALTH TECHNOLOGY ASSESSMENT EVIDENCE FOR RARE DISEASES
Authors: Facey Karen , Granados Alicia , Guyatt Gordon , Kent Alastair , Shah Nilay , van der Wilt Gert Jan , Wong-Rieger Durhane
Published: November 2014

Objectives: Rare diseases are often heterogeneous in their progression and response to treatment, with only a small population for study. This provides challenges for evidence generation to support HTA, so novel research methods are required.

Methods: Discussion with an expert panel was augmented with references and case studies to explore robust approaches for HTA evidence generation for rare disease treatments.

Results: Traditional RCTs can be modified using sequential, three-stage or adaptive designs to gain more power from a small patient population or to focus trial design. However, such designs need to maintain important design aspects such as randomization and blinding and be analyzed to take account of the multiple analyses performed. N-of-1 trials use within-patient randomization to test repeat periods of treatment and control until a response is clear. Such trials could be particularly valuable for rare diseases and when prospectively planned across several patients and analyzed using Bayesian techniques, a population effect can be estimated that might be of value to HTA. When the optimal outcome is unclear in a rare disease, disease specific patient reported outcomes can elucidate impacts on patients’ functioning and wellbeing. Likewise, qualitative research can be used to elicit patients’ perspectives, with just a small number of patients.

Conclusions: International consensus is needed on ways to improve evidence collection and assessment of technologies for rare diseases, which recognize the value of novel study designs and analyses in a setting where the outcomes and effects of importance are yet to be agreed.
FIXED-b ASYMPTOTICS FOR SPATIALLY DEPENDENT ROBUST NONPARAMETRIC COVARIANCE MATRIX ESTIMATORS
Authors: Bester C. Alan , Conley Timothy G. , Hansen Christian B. , Vogelsang Timothy J.
Published: November 2014

This paper develops a method for performing inference using spatially dependent data. We consider test statistics formed using nonparametric covariance matrix estimators that account for heteroskedasticity and spatial correlation (spatial HAC). We provide distributions of commonly used test statistics under “fixed-b” asymptotics, in which HAC smoothing parameters are proportional to the sample size. Under this sequence, spatial HAC estimators are not consistent but converge to nondegenerate limiting random variables that depend on the HAC smoothing parameters, the HAC kernel, and the shape of the spatial region in which the data are located. We illustrate the performance of the “fixed-b” approximation in the spatial context through a simulation example.
Self-organising management of user-generated data and knowledge
Authors: Macbeth Sam , Pitt Jeremy V.
Published: November 2014

The proliferation of sensor networks, mobile and pervasive computing has provided the technological push for a new class of participatory-sensing applications, based on sensing and aggregating user-generated content, and transforming it into knowledge. However, given the power and value of both the raw data and the derived knowledge, to ensure that the generators are commensurate beneficiaries, we advocate an open approach to the data and intellectual property rights by treating user-generated content, as well as derived information and knowledge, as a common-pool resource. In this paper, we undertake an extensive review of experimental, commercial and social participatory sensory applications, from which we identify that a decentralised, community-oriented governance model is required to support this approach. Furthermore, we show that Ostrom’s institutional analysis and development framework, in conjunction with a framework for self-organising electronic institutions, can be used to give both an architecture and algorithmic base for the requisite governance model, in terms of operational and collective-choice rules specified in computational logic. This provides, we believe, the foundations for engineering knowledge commons for the next generation of participatory-sensing applications, in which the data generators are also the primary beneficiaries.
Long passives in Norwegian: Evidence for complex predicates
Authors: Lødrup Helge
Published: November 2014

The purpose of this article is to show that Norwegian has complex predicates, in which two verbs are reanalyzed as one predicate in a monoclausal structure, comparable to complex predicates that have been proposed for other languages. The central evidence comes from the construction called the long passive, in which the subject of the first verb is typically the patient of the second verb. Norwegian long passives often have passive morphology on both verbs, and I consider this a case of verbal feature agreement. The article also discusses evidence for complex predicates from active sentences.
Scandinavian gender and pancake sentences: A reply to Hans-Olav Enger
Authors: Josefsson Gunlög
Published: November 2014

In a recent NJL article (Enger 2013), Hans-Olav Enger argues against some analyses of gender and ‘pancake sentences’, in particular against Josefsson (2009). In this short contribution, I will discuss what I take to be misunderstandings in Enger (2013). In addition I will discuss some data not included in Enger's (2013) analysis, which I will show to be crucial for the comparison between the different analyses proposed.