bluuebunny/crossref_metadata_2025 huggingface dataset:
Can Bias Evaluation Provide Protection Against False‐Negative Results in QT Studies Without a Positive Control Using Exposure‐Response Analysis?
Authors: Ferber Georg , Zhou Meijian , Dota Corina , Garnett Christine , Keirns James , Malik Marek , Stockbridge Norman , Darpo Borje
Published: June 2016

The revised ICH E14 document allows the use of exposure‐response analysis to exclude a small QT effect of a drug. If plasma concentrations exceeding clinically relevant levels is achieved, a positive control is not required. In cases when this cannot be achieved, there may be a need for metrics to protect against false‐negative results. The objectives of this study were to create bias in electrocardiogram laboratory QT‐interval measurements and define a metric that can be used to detect bias severe enough to cause false‐negative results using exposure‐response analysis. Data from the IQ‐CSRC study, which evaluated the QT effect of 5 QT‐prolonging drugs, were used. Negative bias using 3 deterministic and 2 random methods was introduced into the reported QTc values and compared with fully automated data from the underlying electrocardiogram algorithm (COMPAS). The slope estimate of the Bland‐Altman plot was used as a bias metric. With the deterministic bias methods, negative bias, measured between electrocardiogram laboratory values and COMPAS, had to be larger than approximately −20 milliseconds over a QTcF range of 100 milliseconds to cause failures to predict the QT effect of ondansetron, quinine, dolasetron, moxifloxacin, and dofetilide. With the random methods, the rate of false‐negatives was ≤5% with bias severity < –10 milliseconds for all 5 drugs when plasma levels exceeded those of interest. Severe and therefore detectable bias has to be introduced into reported QTc values to cause false‐negative predictions with exposure‐response analysis.
KIT‐6 Mesoporous Silica‐coated Magnetite Nanoparticles: A Highly Efficient and Easily Reusable Catalyst for the Synthesis of Benzo[d]imidazole Derivatives
Authors: Fekri Leila Zare , Maleki Roghayeh
Published: June 2016

KIT‐6 mesoporous silica‐coated magnetite nanoparticles as highly ordered large‐pore nanoparticles supply an environmentally friendly procedure for the synthesis of benzo[d]imidazoles through condensation of 1,2‐diaminobenzene with aryl aldehydes. These compounds were obtained in high yields and short reaction times. The catalyst could be easily recovered using an external magnet and reused for six cycles with almost consistent activity. All of the synthesized compounds were characterized by their physical constant, comparison with authentic samples, ir, 1H nmr, 13C nmr spectroscopy, and elemental analysis.
Wintertime precipitation climatology and ENSO sensitivity over central southwest Asia
Authors: Rana Sapna , McGregor James , Renwick James
Published: June 2016

This article presents a detailed comparison of ten precipitation products over the central southwest Asia (CSWA) region. The spatial characteristics and temporal variations of wintertime precipitation over CSWA region are assessed using four gauge‐only [Asian Precipitation – Highly Resolved Observational Data Integration Towards Evaluation of Water Resources (APHRODITE), Climate Prediction Center Unified Rain gauge (CPC‐uni), Global Precipitation Climatology Center Full Data Reanalysis (GPCC) and Climate Research Unit (CRU)]; three satellite‐derived (3B42‐V6, 3B42‐V7 and GPCP‐1DD) and three reanalysis [Climate Forecast System Reanalysis (CFSR), ERA‐Interim and Modern‐Era Retrospective Analysis for Research and Applications (MERRA)] precipitation products. The analysis is performed for two different periods: (1979–2007) for the gauge‐only/reanalyses and (1998–2007) for the satellite‐derived products. Using an ensemble average of four gauge‐only observational data sets as our reference, we carry out comprehensive qualitative assessment of the uncertainties/biases associated with each data set. Additionally, we examine the relationship pattern between CSWA wintertime precipitation and El Niño‐Southern Oscillation (ENSO) phases. In the gauge‐only category, APHRODITE and GPCC perform better than CPC‐uni and CRU data sets in terms of the spatial and temporal variations of skill matrices. Overall, GPCC shows the best performance (including the precipitation sensitivity to ENSO events) and is the preferable observational data set for long‐term climatological analysis over the CSWA region. Among the satellite‐derived precipitation products, 3B42‐V7 displays the most realistic wintertime precipitation distribution pattern when compared to 3B42‐V6 and GPCP‐1DD; however, efforts are needed to further improve the accuracy of satellite‐derived products over the dry arid and semi‐arid areas of CSWA. In the reanalysis category, MERRA's performance is relatively better than CFSR and ERA‐Interim, although significant biases exist in all of the reanalyses due to overestimation of precipitation over the mountainous regions of CSWA.
Longitudinal changes in the structure and inflammatory response of the intervertebral disc due to stab injury in a murine organ culture model
Authors: Abraham Adam C. , Liu Jennifer W. , Tang Simon Y.
Published: June 2016

Despite the significant public health impact of intervertebral disc (IVD) degeneration and low back pain, it remains challenging to investigate the multifactorial molecular mechanisms that drive the degenerative cascade. Organ culture model systems offer the advantage of allowing cells to live and interact with their native extracellular matrix, while simultaneously reducing the amount of biological variation and complexity present at the organismal level. Murine organ cultures in particular also allow the use of widely available genetically modified animals with molecular level reporters that would reveal insights on the degenerative cascade. Here, we utilize an organ culture system of murine lumbar functional spinal units where we are able to maintain the cellular, metabolic, and structural, and mechanical stability of the whole organ over a 21‐day period. Furthermore, we describe a novel approach in organ culture by using tissues from animals with an NF‐κB‐luc reporter in combination with a mechanical injury model, and are able to show that proinflammatory factors and cytokines such as NF‐κB and IL‐6 produced by IVD cells can be monitored longitudinally during culture in a stab injury model. Taken together, we utilize a murine organ culture system that maintains the cellular and tissue level behavior of the intervertebral disc and apply it to transgenic animals that allow the monitoring of the inflammatory profile of IVDs. This approach could provide important insights on the molecular and metabolic mediators that regulate the homeostasis of the IVD. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:1431–1438, 2016.
Response surface methodology applied to the generation of casein hydrolysates with antioxidant and dipeptidyl peptidase IV inhibitory properties
Authors: Nongonierma Alice B , Maux Solène Le , Esteveny Claire , FitzGerald Richard J
Published: June 2016

BACKGROUND

Hydrolysis parameters affecting the release of dipeptidyl peptidase IV (DPP‐IV) inhibitory and antioxidant peptides from milk proteins have not been extensively studied. Therefore, a multifactorial (i.e. pH, temperature and hydrolysis time) composite design was used to optimise the release of bioactive peptides (BAPs) with DPP‐IV inhibitory and antioxidant [oxygen radical absorbance capacity (ORAC)] properties from sodium caseinate.

RESULTS

Fifteen sodium caseinate hydrolysates (H1–H15) were generated with ProtamexTM, a bacillus proteinase activity. Hydrolysis time (1 to 5 h) had the highest influence on both DPP‐IV inhibitory properties and ORAC activity (P < 0.05). Alteration of incubation temperature (40 to 60 °C) and pH (6.5 to 8.0) had an effect on the DPP‐IV inhibitory properties but not the ORAC activity of the Protamex sodium caseinate hydrolysates. A multi‐functional hydrolysate, H12, was identified having DPP‐IV inhibitory (actual: 0.82 ± 0.24 vs. predicted optimum: 0.68 mg mL−1) and ORAC (actual: 639 ± 66 vs. predicted optimum: 639 µmol TE g−1) activity of the same order (P > 0.05) as the response surface methodology (RSM) predicted optimum bioactivities.

CONCLUSION

Generation of milk protein hydrolysates through multifactorial design approaches may aid in the optimal enzymatic release of BAPs with serum glucose lowering and antioxidant properties. © 2016 Society of Chemical Industry
Design considerations for highly efficient edge‐lit quantum dot displays
Authors: Twietmeyer Karen , Sadasivan Sridhar
Published: June 2016

Quantum dots (QDs) are increasingly the technology of choice for wide color gamut displays. Two popular options to incorporate QDs into displays include on‐edge and on‐surface solutions. The opto‐mechanical design for an on‐edge QD solution including a LED light bar (“on‐edge QD light bar”) is more complex than the design for a standard white phosphor LED light bar. In this paper, we identify and investigate a range of design parameters for an on‐edge QD light bar, and we show that these parameters have significant influence on system efficiency and color uniformity. The effects of varying these parameters are explored through the use of a custom adjustable testbed and optical raytracing methods. Our testbed data demonstrate the inherent trade‐offs between efficiency and color uniformity and provide guidance for the design of high‐performing displays. The optical raytracing data demonstrate a good predictive capability and support the use of optical modeling methods for a detailed exploration of a wider range of design parameters.
The Effects of Trauma History and Prenatal Affective Symptoms on Obstetric Outcomes
Authors: Blackmore Emma Robertson , Putnam Frank W. , Pressman Eva K. , Rubinow David R. , Putnam Karen T. , Matthieu Monica M. , Gilchrist Michelle A. , Jones Ian , O'Connor Thomas G.
Published: June 2016

Prenatal maternal mood may inform the adverse obstetric outcomes seen in disadvantaged populations. The contribution of having a trauma history is not well studied. We examined the impact of trauma exposure and mood symptoms on obstetric outcomes in 358 women. Women with antecedent trauma were more likely to have a history of depression, odds ratio = 2.83, 95% confidence interval [1.81, 4.42], were younger at their first pregnancy, 18.86 years versus 20.10 years, and had a higher number of previous pregnancies, 2.01 versus 1.54, compared to those with no trauma exposure. Women with prenatal anxiety had significantly smaller babies than nonanxious women, 3,313.17 g, (SD = 441.58) versus 3,429.27 g, (SD = 437.82) Trauma history magnified the effects of maternal prenatal mood on birthweight; the moderating effect was limited to those who first experienced a trauma under 18 years of age. Childhood trauma exposure increased vulnerability for low birthweight delivery associated with prenatal mood disturbance. Screening pregnant women for trauma history and current mood symptoms is indicated.
Three‐dimensional Luneburg lens at optical frequencies
Authors: Zhao Yuan‐Yuan , Zhang Yong‐Liang , Zheng Mei‐Ling , Dong Xian‐Zi , Duan Xuan‐Ming , Zhao Zhen‐Sheng
Published: June 2016

A Luneburg lens is a fascinating gradient refractive index (GRIN) lens that can focus parallel light on a perfect point without aberration in geometrical optics. Constructing a three‐dimensional (3D) Luneburg lens at optical frequencies is a challenging task due to the difficulty of fabricating the desired GRIN materials. Here, we present the practical implementation of a 3D Luneburg lens at optical frequencies. Such a 3D Luneburg lens is designed with GRIN 3D simple cubic metamaterial structures, and fabricated with dielectric metamaterials by femtosecond laser direct writing in the commercial negative‐photoresist IP‐L. Simulated and experimental results exhibit an interesting 3D ideal focus for the infrared light. The protocol for developing the 3D Luneburg lens with ideal focus would prompt the potential applications in integrated light‐coupled devices and lab‐on‐chip integrated biological sensors based on infrared light.

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Programmable Oil/Water Separation Meshes: Water or Oil Selectivity Using Contact Angle Hysteresis
Authors: Dunderdale Gary J. , England Matt W. , Sato Tomoya , Urata Chihiro , Hozumi Atsushi
Published: June 2016

We report a novel method for oil/water separation using stainless steel meshes functionalized with amphiphilic copolymer, poly(methacrylic acid‐co‐ethylhexylmethacrylate) (PMAA‐co‐EHMA), brushes. Because the PMAA‐co‐EHMA brush‐covered surfaces show a large contact angle hysteresis at the oil/water contact line, the meshes can be programmed to act as either water‐selective or oil‐selective filters simply by pre‐wetting the mesh with one of these liquids. These programmable meshes can separate oil/water mixtures to high filtrate purities (more than 99 % mol/mol) in both oil‐selective and water‐selective modes.

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Heat treatment effect on solid particle erosion properties of polyphenylene sulfide composites reinforced with silane coupled volcanic ash particles
Authors: Çoban Onur , Özgür Bora Mustafa , Fidan Sinan , Kutluk Togayhan , Sinmazçelik Tamer
Published: June 2016

In this study both heat treatment and silane coupling effects on solid particle erosion behavior of volcanic ash (VA) particles reinforced polyphenylene sulfide (PPS) composites were investigated. Firstly, samples with various concentrations of pristine VA (0, 5, 10, 15, 20 and 25 wt%) were subjected to solid particle erosion tests for determining the optimum pristine VA concentrations. Secondly, VA particles with optimum concentrations (10 and 15 wt%) were silane coupled with 3‐aminopropyltriethoxysilane (3‐APTS). At last, PPS composites with silane coupled VA particles at optimum concentrations were heat treated at 200°C for 2 hours. After erosion tests, all eroded VA/PPS composite surfaces were scanned with non‐contact 3D profilometer for roughness investigation. And also scanning electron microscopy (SEM) analysis was performed. It was reported that pure PPS and all kind of VA/PPS composites exhibited ductile erosion behavior. Erosion mass loss and roughness values were increased with the increase of pristine VA content significantly for the impingement angles of 15° and 30°. It was determined that silane coupling had negative effect on erosion properties but had positive effect on roughness properties. Heat treatment of silane coupled VA/PPS composites achieved half mass loss and roughness value of pristine VA/PPS composites. POLYM. COMPOS., 39:1638–1646, 2018. © 2016 Society of Plastics Engineers
Super‐toughened poly(l‐lactic acid) fabricated via reactive blending and interfacial compatibilization
Authors: Ma Meng , Zheng Haiming , Chen Si , Wu Bozhen , He Huiwen , Chen Liqing , Wang Xu
Published: June 2016

Super‐toughened poly(l‐lactic acid) (PLLA) was prepared by reactive blending of PLLA with poly(ϵ‐caprolactone) (PCL), glycerol and 4,4′‐methylenediphenyl diisocyanate. The reactive interfacial compatibility between PLLA and the formed crosslinked polyurethane (CPU) in the PLLA matrix was studied in detail. The morphology and the toughness of the blends can be tuned by changing the CPU content. The results indicate that the impact strength of PLLA shows a tendency to higher values with the increasing PCL content up to 20 wt%. The notched impact strength of the blend with 20 wt% PCL increases to 55.01 kJ m−2, which is 24.9 times higher than that of neat PLLA. The elongation at break is also increased from 5% to 139.4%, indicating the brittle − ductile transition. The increased interfacial binding strength through the reactive interfacial compatibility and the formation of a CPU network in the PLLA matrix account for the improved toughness of PLLA/CPU blends. Dynamic mechanical analysis results indicate that the compatibility between PLLA and CPU is improved with increasing CPU content resulting in the formation of more interfacial phase. In addition, rheological property measurements indicate that the improvement in storage modulus and complex viscosity is ascribed to the formation of a CPU network in the PLLA matrix. © 2016 Society of Chemical Industry
Development of on‐chip fully automated immunoassay system “μTASWako i30” to measure the changes in glycosylation profiles of alpha‐fetoprotein in patients with hepatocellular carcinoma
Authors: Kurosawa Tatsuo , Watanabe Mitsuo
Published: June 2016

Glycosylation profiles significantly change during oncogenesis. Aberrant glycosylation can be used as a cancer biomarker in clinical settings. Different glycoforms can be separately detected using lectin affinity electrophoresis and lectin array‐based methods. However, most methodologies and procedures need experienced technique to perform the assays and expertise to interpret the results. To apply glycomarkers for clinical practice, a robust assay system with an easy‐to‐use workflow is required. Wako's μTASWako i30, a fully automated immunoanalyzer, was developed for in vitro diagnostics based on microfluidic technology. It utilizes the principles of liquid‐phase binding assay, where immunoreactions are performed in a liquid phase, and electrokinetic analyte transport assay. Capillary electrophoresis on microfluidic chip has enabled the detection of different glycoform types of alpha‐fetoprotein (AFP), a serum biomarker for hepatocellular carcinoma. AFP with altered glycosylation can be separated based on the reactivity to Lens culinaris agglutinin on electrophoresis. The glycoform AFP‐L3 was reportedly more specific in hepatocellular carcinoma. This assay system can provide a high sensitivity and rapid results in 9 min. The test results for ratio of AFP‐L3 to total AFP using μTASWako i30 are correlated with those of conventional methodology. The μTASWako assay system and the technology can be utilized for glycosylation analysis in the postgenomic era.
The interplay between effector binding and allostery in an engineered protein switch
Authors: Choi Jay H. , Xiong Tina , Ostermeier Marc
Published: June 2016

The protein design rules for engineering allosteric regulation are not well understood. A fundamental understanding of the determinants of ligand binding in an allosteric context could facilitate the design and construction of versatile protein switches and biosensors. Here, we conducted extensive in vitro and in vivo characterization of the effects of 285 unique point mutations at 15 residues in the maltose‐binding pocket of the maltose‐activated β‐lactamase MBP317‐347. MBP317‐347 is an allosteric enzyme formed by the insertion of TEM‐1 β‐lactamase into the E. coli maltose binding protein (MBP). We find that the maltose‐dependent resistance to ampicillin conferred to the cells by the MBP317‐347 switch gene (the switch phenotype) is very robust to mutations, with most mutations slightly improving the switch phenotype. We identified 15 mutations that improved switch performance from twofold to 22‐fold, primarily by decreasing the catalytic activity in the absence of maltose, perhaps by disrupting interactions that cause a small fraction of MBP in solution to exist in a partially closed state in the absence of maltose. Other notable mutations include K15D and K15H that increased maltose affinity 30‐fold and Y155K and Y155R that compromised switching by diminishing the ability of maltose to increase catalytic activity. The data also provided insights into normal MBP physiology, as select mutations at D14, W62, and F156 retained high maltose affinity but abolished the switch's ability to substitute for MBP in the transport of maltose into the cell. The results reveal the complex relationship between ligand binding and allostery in this engineered switch.
Network representation of protein interactions—Experimental results
Authors: Kurzbach Dennis , Flamm Andrea G. , Sára Tomáš
Published: June 2016

A graph theoretical analysis of nuclear magnetic resonance (NMR) data of six different protein interactions has been presented. The representation of the protein interaction data as a graph or network reveals that all of the studied interactions are based on a common functional concept. They all involve a single densely packed hub of functionally correlated residues that mediate the ligand binding events. This is found independent of the kind of protein (folded or unfolded) or ligand (protein, polymer or small molecule). Furthermore, the power of the graph analysis is demonstrated at the examples of the Calmodulin (CaM)/Calcium and the Cold Shock Protein A (CspA)/RNA interaction. The presented approach enables the precise determination of multiple binding sites for the respective ligand molecules.
Novel Gene Expression Signature Predictive of Clinical Recurrence After Radical Prostatectomy in Early Stage Prostate Cancer Patients
Authors: Shahabi Ahva , Lewinger Juan Pablo , Ren Jie , April Craig , Sherrod Andy E. , Hacia Joseph G. , Daneshmand Siamak , Gill Inderbir , Pinski Jacek K. , Fan Jian‐Bing , Stern Mariana C.
Published: June 2016

BACKGROUND

Current clinical tools have limited accuracy in differentiating patients with localized prostate cancer who are at risk of recurrence from patients with indolent disease. We aimed to identify a gene expression signature that jointly with clinical variables could improve upon the prediction of clinical recurrence after RP for patients with stage T2 PCa.

METHODS

The study population includes consented patients who underwent a radical retropubic prostatectomy (RP) and bilateral pelvic lymph node dissection at the University of Southern California in the PSA‐era (1988–2008). We used a nested case‐control study of 187 organ‐confined patients (pT2N0M0): 154 with no recurrence (“controls”) and 33 with clinical recurrence (“cases”). RNA was obtained from laser capture microdissected malignant glands representative of the overall Gleason score of each patient. Whole genome gene expression profiles (29,000 transcripts) were obtained using the Whole Genome DASL HT platform (Illumina, Inc). A gene expression signature of PCa clinical recurrence was identified using stability selection with elastic net regularized logistic regression. Three existing datasets generated with the Affymetrix Human Exon 1.0ST array were used for validation: Mayo Clinic (MC, n = 545), Memorial Sloan Kettering Cancer Center (SKCC, n = 150), and Erasmus Medical Center (EMC, n = 48). The areas under the ROC curve (AUCs) were obtained using repeated fivefold cross‐validation.

RESULTS

A 28‐gene expression signature was identified that jointly with key clinical variables (age, Gleason score, pre‐operative PSA level, and operation year) was predictive of clinical recurrence (AUC of clinical variables only was 0.67, AUC of clinical variables, and 28‐gene signature was 0.99). The AUC of this gene signature fitted in each of the external datasets jointly with clinical variables was 0.75 (0.72–0.77) (MC), 0.90 (0.86–0.94) (MSKCC), and 0.82 (0.74–0.91) (EMC), whereas the AUC for clinical variables only in each dataset was 0.72 (0.70–0.74), 0.86 (0.82–0.91), and 0.76 (0.67–0.85), respectively.

CONCLUSIONS

We report a novel gene‐expression based classifier identified using agnostic approaches from whole genome expression profiles that can improve upon the accuracy of clinical indicators to stratify early stage localized patients at risk of clinical recurrence after RP.Prostate 76:1239–1256, 2016. © 2016 Wiley Periodicals, Inc.
σ‐algebras for quasirandom hypergraphs
Authors: Towsner Henry
Published: June 2016

We examine the correspondence between the various notions of quasirandomness for k‐uniform hypergraphs and σ‐algebras related to measurable hypergraphs. This gives a uniform formulation of most of the notions of quasirandomness for dense hypergraphs which have been studied, with each notion of quasirandomness corresponding to a σ‐algebra defined by a collection of subsets of .

We associate each notion of quasirandomness with a collection of hypergraphs, the ‐adapted hypergraphs, so that G is quasirandom exactly when it contains roughly the correct number of copies of each ‐adapted hypergraph. We then identify, for each , a particular ‐adapted hypergraph with the property that if G contains roughly the correct number of copies of then G is quasirandom in the sense of . This generalizes recent results of Kohayakawa, Nagle, Rödl, and Schacht; Conlon, Hàn, Person, and Schacht; and Lenz and Mubayi giving this result for some particular notions of quasirandomness. © 2016 Wiley Periodicals, Inc. Random Struct. Alg., 50, 114–139, 2017
A parallel acquisition charged particle energy analyser using a magnetic field
Authors: Walker C.G.H. , Zha X. , El Gomati M.M.
Published: June 2016

A new form of charged particle energy analyser is proposed. It is broadly based on the 180° magnetic spectrograph, but is intended to detect charged particles moving out of the dispersion plane with a helical motion. The analyser has the capability to acquire charged particle energy spectra over a large energy range, similar to those acquired in Auger electron spectroscopy, ca. 2500 eV and large angular range, up to 90°, in parallel. These conditions are more favourable for surface analysis by electron spectroscopy at high vacuum, where for example an electron energy resolution of 0.2% to 0.5% is typical. Expressions showing how the landing positions of the charged particles on the detector vary as a function of energy and polar take off angle are determined as well as the conditions for optimum energy resolution at a range of polar take off angles. The equations reveal that in general, the device obtains the highest resolution at angles of revolution greater than 180°. The design is simple and could be easily put into practice using available material and technologies and be used to analyse the energies of electrons emitted from a sample placed in a scanning electron microscope. It can be made to function with a primary electron beam of any desired energy and could fit in to the small space between the sample and the end of an electron column. However, the device is difficult to retrofit into existing SEMs and ideally an SEM column needs to be designed to work in association with the analyser. The direction of the magnetic field of the analyser is coincident with the axis of the electron gun so that the primary beam is little influenced by the magnetic field and symmetry can be maintained in the primary beam electron column. Because the device is intended to acquire electron spectra in parallel, any movement of the primary beam on the sample because of a ramping field in the analyser is avoided. The field of view and the effect of the analyser upon the operation of the SEM are discussed. Spectra including elastic and Auger peaks reveal an energy resolution of ~4 eV at 900‐eV electron energy. Copyright © 2016 John Wiley & Sons, Ltd.
Scaling Law of Exciton Properties in the Surface Hydrogenated Armchair Graphene Nanoribbon
Authors: Zhu Xi , Wang Min
Published: June 2016

The scaling law of exciton effect in the surface hydrogenated graphene nanoribbon with armchair edge (H‐AGNRs) is studied by first principle density function theory (DFT) with quasi‐particle corrections and many‐body, i. e. electron‐hole interactions. Realizing the failure of the traditional family effect in the pristine AGNRs, we introduce an effective width model, which can systematically describe the electronic structures of H‐AGNRs by three catalogues. In the model, the relationship between the effective widths and the effective family index can well line up at the ground states of H‐AGNRs. We also scale the exciton binding energies with effective width of H‐AGNRs. This work provides more general understanding for the surface modification on the electronic properties in ultra‐narrow AGNRs and discloses a more universal family effect in the AGNRs systems.
Guest‐Induced, Self‐Assembled Supramolecular Capsule: Effect of Guest and Counter Anions
Authors: Satha Mr. Pardhasaradhi , Illa Mr. Giriteja , Ghosh Arindam , Purohit Chandra Shekhar
Published: June 2016

Molecular capsules form due to various interactions between molecules. Cyclotricatechylene (CTC) is a poly‐phenolic macrocycle that has been shown to form capsule under highly basic conditions. Here, we describe the formation of a molecular capsule under ambient conditions, from CTC by addition of a guest molecule. The capsule is most probably forming through pure electrostatic interaction between the guest and CTC. The capsule formation has been studied using solution techniques such as NMR and Mass spectroscopy. The information about capsule formation is also obtained from the solid state structure using single crystal X‐ray diffraction studies, which corroborates well with the findings in solution state. Upon changing the cation to a larger one, both capsule formation and the encapsulation are hindered. However, change of anions keeping the cation unchanged does not affect the assembly process.
Folded Structure Stabilized by C7, C10 and C12 Hydrogen Bonds in αγ Hybrid Peptides
Authors: Wani Naiem Ahmad , Gupta Vivek Kumar , Singh Umesh Prasad , Aravinda Subrayashastry , Rai Rajkishor
Published: June 2016

The present work describes the synthesis and crystallographic analysis of αγ hybrid peptides, Boc‐Gpn‐D‐Pro‐NHMe (P1), Boc‐Aib‐Gpn‐D‐Pro‐NHMe (P2) and Boc‐Gpn‐D‐Pro‐Aib‐NHMe (P3). Aib, Gpn and Pro refer to α‐aminoisobutyric acid, gabapentin and proline, respectively. Peptides P1 and P2 adopt expanded twelve membered (C12) helical left‐handed turn over γα segment. Peptide P3 adopts folded conformation stabilized by three‐centre, double hydrogen bond motif, seven membered (C7) followed by type II′ β‐turn (C10). Aib residue adopts left handed helical conformation in P2, while right handed helical conformation is observed for it in peptide P3.
Gastropods from the Carboniferous (Namurian) of Congleton Edge, Cheshire,UK
Authors: Peel John S.
Published: June 2016

Gastropod assemblages of late Carboniferous age (Namurian; Chokierian–Alportian) from the Morridge Formation at Pot Bank Quarry, Congleton Edge, Cheshire, contain 27 species, the most diverse gastropod fauna known from the Silesian of the southernUK. Chokierian sandstones yield a sparse assemblage of mainly high‐spiredStegocoeliaand bivalves, but flooding associated with the Hudsonoceras proteus marine band (basal Alportian) introduced a diverse invertebrate fauna in which the gastropod fraction is dominated by the bellerophontoideansBellerophon,Retispira,EuphemitesandPatellilabia, and the eotomarioidAngyomphalus. A later, previously unrecognized marine assemblage of probable Alportian age contains numerous small pleurotomariiform gastropods, but bellerophontoideans are less common andAngyomphalusis absent. In formal international usage the assemblages are of Pennsylvanian (Bashkirian Stage) age. One new genusLiraloron cornoviorumgen. et sp. nov. and the following new species are described:Retispira mowensis,Patellilabia britannica,Angyomphalus congletonensis,Neilsonia coatesi,N. ganneyica,Eirlysia ceramicorum,Meekospira acrolopha.
3D Luminescent Copper(I) Iodide Coordination Polymer Based on Cu4I4 Clusters and an Ethyl‐bridging Bis(triazole) Ligand
Authors: Dou Ai‐Na , Du Yuan‐Chao , Chen Qiu‐Lu , Luo Kai‐Li , Zhang Ce , Zhu Ai‐Xin , Li Qiu‐Xia
Published: June 2016

The copper‐iodine based coordination polymer [Cu4I2(bmte)]n (1) [H2bmte = 1,2‐bis(5‐methyl‐1H‐1,2,4‐triazol‐3‐yl)ethane] was synthesized using cuprous iodide and a flexible 3‐substituted, ethyl‐bridging bis(triazole) ligand under solvothermal conditions. X‐ray diffraction analysis reveals that compound 1 shows a 3D framework containing Cu4I4 clusters and alternating left‐ and right‐handed [Cu(triazole)] helices, which result in a (4,8)‐connected fluorite (flu) topological network. Moreover, compound 1 exhibits orange phosphorescence with the emission maxima at 590 nm in the solid state at room temperature.
Hexaaza‐dithia Macrocycles Containing Pendant Methoxyethyl Groups: Synthesis and Characterization of Mono and Dinuclear Nickel Complexes
Authors: Gressenbuch Mathias , Kersting Berthold
Published: June 2016

The deprotection of two bicyclic hexaaza‐dithioether macrocycles 1 and 2 containing four (or six) N‐bound 2‐methoxyethyl substituents was achieved in good yields utilizing Li or Na/naphthalene in THF as the reagent. The ability of the resulting hexaaza‐dithiophenolate macrocycles (H2L4 and H2L5) to act as mono‐ and dinucleating ligands is also demonstrated. Three nickel complexes, namely [Ni(H2L4)][BPh4]2 (3), [Ni2(L4)(μ‐OAc)][BPh4] (4), and [Ni2(L5)(μ‐OAc)][BPh4] (5), were obtained and characterized by elemental analyses, ESI mass spectrometry, IR and UV/Vis spectroscopy, and in case of 3 and 4 also by X‐ray crystallography. The five‐coordinate nickel atom in complex 3 was found to interact only weakly with one of the four 2‐methoxyethyl groups. The nickel atoms in dinuclear 4 and 5 are coordinatively saturated by the nitrogen and sulfur donor atoms of the macrocycle and the oxygen atoms of the bridging acetato coligands, such that the methoxyethyl substituents function only as dangling groups.
Family Communication in Inherited Cardiovascular Conditions in Ireland
Authors: Whyte Sinead , Green Andrew , McAllister Marion , Shipman Hannah
Published: June 2016

Over 100,000 individuals living in Ireland carry a mutated gene for an inherited cardiac condition (ICC), most of which demonstrate an autosomal dominant pattern of inheritance. First‐degree relatives of individuals with these mutations are at a 50 % risk of being a carrier: disclosing genetic information to family members can be complex. This study explored how families living in Ireland communicate genetic information about ICCs and looked at the challenges of communicating information, factors that may affect communication and what influence this had on family relationships. Face to face interviews were conducted with nine participants using an approved topic guide and results analysed using thematic analysis. The participants disclosed that responsibility to future generations, gender, proximity and lack of contact all played a role in family communication. The media was cited as a source of information about genetic information and knowledge of genetic information tended to have a positive effect on families. Results from this study indicate that individuals are willing to inform family members, particularly when there are children and grandchildren at risk, and different strategies are utilised. Furthermore, understanding of genetics is partially regulated not only by their families, but by the way society handles information. Therefore, genetic health professionals should take into account the familial influence on individuals and their decision to attend genetic services, and also that of the media.
Synthesis and Surface Active Properties of a Gemini Imidazoline Amphoteric Surfactant
Authors: Xu Yuanhong , Xu Hujun
Published: June 2016

The gemini imidazoline amphoteric surfactant was prepared in two steps. We first reacted lauric acid and triethylenetetramine to obtain the intermediate called bisalkyl‐bis‐imidazoline. We analyzed it by 1H NMR, and the yield was 82.45 % according to perchloric acid non‐aqueous titration. The intermediate was then quaternized using sodium 2‐chloroethanesulfonic acid in a mixture of isopropyl alcohol and water, during which we controlled the pH between 8 and 9 and the temperature between 80 and 90 °C to prepare C12‐bis‐imi. The air–liquid surface tension was measured by a tensiometer at 298 ± 0.1 K. The results show that the critical micelle concentration (CMC) was 2.25 × 10−3 mol/L and the surface tension at the CMC (γCMC) was 30.42 mN/m. C12‐bis‐imi showed a synergistic effect in combination with lauric alcohol with nine ethylene oxide groups (AEO9). The synergistic effect is most striking when the mole ratio of C12‐bis‐imi/AEO9 was 1/1, and the corresponding CMC was 9.79 × 10−5 mol/L and the γCMC was 37.61 mN/m.
Geological Appraisal of Ladakh and Tirit Granitoids in the Indus-Shyok Suture Zones of Northwest Himalaya, India
Authors: Kumar Santosh , Bora Sita , Sharma Umesh K.
Published: June 2016

New field observations on granitoids and associated lithounits in some parts of Indus-Shyok Suture Zones have been documented in order to re-establish the geological relationships between various volcano-plutonic magmatic lithounits. Careful examination of outcrops and contact relationships between the various lithounits have pin-pointed the sequence of geological events. Field features of granitoids exposed along Leh-Saboo-Khardung_La suggest multiple pulses of mafic-felsic magma interactions (mingling to mixing) with almost 25% of the mafic to hybrid magma input in the evolution of the eastern part of Ladakh batholith. Along Khardung_La-Shyok-Diskit, thick sequence of volcanic lithounits is exposed, which dominantly consist of massive basaltic andesite, porphyritic andesite, dacite and rhyolite forming Khardung Formation. On the other hand Shyok Formation, dipping opposite to the Khardung Formation, composed predominantly of meta-sedimentary lithounits and subordinate amount of volcanic materials at present exposed level. Spectacular intrusive contacts of Ladakh granitoids with metavolcanics and meta-sedimentary country rocks of Shyok Formation near Diskit can be observed, which are manifested by ubiquitous xenoliths near the marginal parts. Although the nature of granitoid melt invasion into country-rocks was relatively winty, granitoid melt has produced leucogranite-pegmatite system because of devolatization and decompression effects. Frequent xenoliths of porphyritic andesite and dacite roof pendants are being reported in Tirit granitoids, which strongly suggest sub-volcanic emplacement of granitoid melt, extensive assimilation and roof collapse of overlying volcanic materials. It is more likely that the xenoliths hosted in Tirit granitoids belong to Shyok volcanics. It is suggested that multiple pulses of coeval mafic and felsic magmatism occurred extensively and emplaced at differential crustal levels.
Increased deep pain sensitivity in persistent musculoskeletal pain but not in other musculoskeletal pain states
Authors: Margareta Gunnarsson Helena Eva , Grahn Birgitta , Agerström Jens
Published: June 2016

Background

Pressure pain thresholds (PPTs) in a non-painful body area are known to be affected in some chronic pain states. The aim of this study is to investigate PPTs in a pain-free body part in relation to pain persistence and intensity in patients with musculoskeletal pain.

Methods

Patients with musculoskeletal pain were divided into three different pain groups: acute pain (pain duration < 3 months, n = 38), regularly recurrent pain (regularly recurrent pain duration > 3 months, n = 56), persistent pain (persistent pain duration >3 months, n = 52) and a healthy control group (n = 51). PPT measures were conducted over the tibialis anterior muscle on the right leg in all groups.

Results

The persistent pain group showed significantly lower PPTs over the tibialis anterior muscle compared to controls. No significant differences were found between the acute and regularly recurrent pain groups compared to healthy controls. Significant correlations, albeit small, were found between pain intensity and PPTs.

Conclusions

Increased deep pain sensitivity was found in patients with persistent musculoskeletal pain, but not in regularly recurrent pain or in acute pain. Yet, a limitation of the study is that it did not have sufficient power to detect small levels of increased deep pain sensitivity among the latter groups when compared to healthy controls.

Implications

Knowledge about increased general hypersensitivity in persistent musculoskeletal pain could be important in clinical treatment.
Are Accelerometers and GPS Devices Valid, Reliable and Feasible Tools for Measurement of Community Ambulation After Stroke?
Authors: Mahendran Niruthikha , Kuys Suzanne S. , Downie Emma , Ng Phoebe , Brauer Sandra G.
Published: June 2016

Purpose: To determine validity, reliability and feasibility of accelerometers (ActivPAL™, Sensewear Pro2Armband) and portable global positioning systems (GPS) (Garmin Forerunner 405CX) for community ambulation measurement after stroke.

Methods: Fifteen community-dwelling stroke survivors attended two sessions; completing a 6-minute walk, treadmill walking, and 200-m outdoor circuit. Feasibility was determined by wearing devices over four days. Measures collected included step count, time spent walking, distance, energy expenditure and location. Intra-class correlation coefficients (ICC), Bland–Altman plots and absolute percentage of error (APE) were used to determine validity and reliability.

Results: ActivPAL™had excellent validity and reliability for most measures (ICC: 0.821–0.999, APE: 0%–11.1%), except for good-excellent findings at speeds < 0.42 m/s (ICC: 0.659–0.894, APE: 1.6%–11.1%). Sensewear had missing values for 23% of recordings and high error for all measures. GPS demonstrated excellent validity and reliability for time spent walking and step count (ICC: 0.805–0.999, APE: 0.9%–10%), and 100% accuracy for location. However, it was not valid or reliable for distance (ICC = −0.139, APE = 23.8%). All devices appeared feasible for community ambulation measurement with assistance for setup and data analysis.

Conclusions: ActivPAL™and Garmin GPS appear valid, reliable and feasible tools for community ambulation measurement after stroke, except for distance. Sensewear demonstrated poor validity and reliability when worn on the paretic arm.
Forcing-dependent dynamics and emergence of helicity in rotating turbulence
Authors: Dallas Vassilios , Tobias Steven M.
Published: June 2016

The effects of large-scale mechanical forcing on the dynamics of rotating turbulent flows are studied by means of direct numerical simulations, systematically varying the nature of the mechanical force in time. We find that the statistically stationary solutions of these flows depend on the nature of the forcing mechanism. Rapidly enough rotating flows with a forcing that has a persistent direction relative to the axis of rotation bifurcate from a non-helical state to a helical state despite the fact that the forcing is non-helical. We demonstrate that the nature of the mechanical force in time and the emergence of helicity have direct implications for the cascade dynamics of these flows, determining the anisotropy in the flow, the energy condensation at large scales and the power-law energy spectra that are consistent with previous findings and phenomenologies under strong and weak turbulence.
Troubled Taxonomies and the Calculating State: Everyday Categorizing and “Race-Ethnicity”—The Netherlands Case
Authors: Yanow Dvora , van der Haar Marleen , Völke Karlijn
Published: June 2016

Tabulating population demographics, including “ethnicity,” “nationality,” and “race,” has long been a mark of the modern state. Achieved through its statisticians, this requires the designation and operationalization of relevant categories. Such category-making practices are commonly “invisible,” as is, consequently, their role in making up race-ethnic identities, especially when conducted through the ordinary “everyday-ness” of registering for public services. In this article, the politics of category-making for counting purposes meets the politics of “ethnicity” and “race.” The article examines the creation of categories to tabulate “race-ethnic” concepts and identities through registration practices, as seen in The Netherlands. Registration form questions and answers show how “race,” “ethnicity,” and related ideas are being constructed, implicitly, through commonplace, everyday activities. What makes this case unusual is that these activities take place within an explicit policy restriction on the use of “race.” The article concludes with implications for policy-making with respect to the actuarial, “calculating” state and for theorizing the play of race-ethnic categories in policy practices for tabulating populations.
Surgical anatomy of the spinal accessory nerve: review of the literature and case report of a rare anatomical variant
Authors: Overland J , Hodge J C , Breik O , Krishnan S
Published: June 2016

Objective:

To evaluate the prevalence of variations in the anatomical route of the spinal accessory nerve from the base of the skull to the point where it enters the trapezius muscle. A case report is used to demonstrate an example of a rare but clinically important anatomical variant of this nerve.

Methods:

An independent review of the literature using Medline, PubMed and Q Read databases was performed using combinations of terms including ‘spinal accessory nerve’, ‘anatomy’, ‘surgical anatomy’, ‘anatomical variant’, ‘cranial nerve XI’ and ‘shoulder syndrome’.

Results:

Our report demonstrates marked variation in spinal accessory nerve anatomy. At the point of crossing over the internal jugular vein, the spinal accessory nerve passes most commonly laterally (anterior) to the internal jugular vein. The reported incidence of this lateral relationship varies from 67 to 96 per cent. The nerve can also pierce the internal jugular vein, as demonstrated in our case study, with incidence ranging from 0.48 to 3.3 per cent.

Conclusion:

Anatomical variations of the spinal accessory nerve are not uncommon, and it is important for the surgeon to be aware of such variations when undertaking surgery in both the anterior and posterior triangles of the neck.
Veterinary clinical nutrition: success stories: an overview
Authors: Davies Mike
Published: June 2016

In this overview of success stories in veterinary clinical nutrition topics in cats and dogs reviewed include the dietary management of chronic kidney disease, dissolution of urinary tract uroliths by dietary modification, the recognition that taurine and L-carnitine deficiencies can cause dilated cardiomyopathy; that clinical signs associated with feline hyperthyroidism (caused by a benign adenoma) can be controlled by a low-iodine diet alone; that dietary management of canine osteoarthritis can also reduce non-steroidal anti-inflammatory drug doses; and that disease-free intervals and survival times can be statistically longer in dogs with Stage III lymphoma managed with diet. As we discover more about nutrigenetics and nutrigenomics, and as we expand our basic understanding of idiopathic diseases we are bound to identify more nutritionally related causes, and be able to develop novel dietary strategies to manage disease processes, including the formulation of diets designed to alter gene expression to obtain beneficial clinical outcomes.
Merchant Courts, Arbitration, and the Politics of Commercial Litigation in the Eighteenth-Century British Empire
Authors: Burset Christian R.
Published: June 2016

John Locke worried that the common law was bad for business. Although he recognized the political importance of common law institutions such as juries, he also thought that the cumbersome procedures of English courts might hamper economic development in England and its colonies. The Fundamental Constitutions of Carolina, which Locke helped draft in 1669, tried to reconcile these competing political and economic concerns. Although the Constitutions guaranteed “Freemen” a right to trial by jury, the document also provided for specialized judges in port towns to “try cases belonging to [the] law-merchant.” These commercial judges would allow merchants to settle their disputes “as shall be most convenient for trade,” rather than by the expensive formality of the common law.