bluuebunny/crossref_metadata_2025 huggingface dataset:
Stereotactic Thalamotomy for Task‐Specific Dystonia
Authors: Doshi Paresh K. , Shaikh Shabana , Karkera Bharati , Ramdasi Raghvendra
Published: July 2016

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Background

Task‐specific dystonia (TSD) is a focal dystonia producing abnormal posture of the fingers or the hand, occurring during selective motor activities that involve repeated use. Conventional medical management and botulinum toxin fail to provide relief in all patients. Thalamotomy or DBS have been used as surgical treatment in patients not responding to medical treatment.

Methods

Five patients (all male; age, 18–47 years) with refractory focal hand dystonia underwent ventrooralis (Vo) thalamotomy using stereotactic techniques. Preoperative video recordings, Writer's Cramp Rating Scale (WCRS), and Symptom Severity Scores (SSS) were evaluated at the baseline and at a follow‐up date, which ranged between 8 and 44 months (average, 26 months).

Results

All the patients had difficulty in performing their most common tasks. Duration of symptoms ranged from 6 months to 12 years. All patients obtained immediate postoperative relief from dystonic symptoms, and the effect was sustained during the follow up period. The WCRS improved from a mean of 20.4 before surgery to a mean of 2.4 at the last follow‐up, whereas the SSS improved from a mean of 29.8 before surgery to a mean of 12 at the last follow‐up. All patients were able to carry out their specific task with little or no difficulty. There were no surgical complications, morbidity, or mortality.

Conclusions

Vo thalamotomy is a safe and effective procedure providing successful symptom relief in patients of TSD.
Innovations in deep brain stimulation methodology
Authors: Kühn Andrea A. , Volkmann Jens
Published: July 2016

Deep brain stimulation is a powerful clinical method for movement disorders that no longer respond satisfactorily to pharmacological management, but its progress has been hampered by stagnation in technological procedure solutions and device development. Recently, the combined research efforts of bioengineers, neuroscientists, and clinicians have helped to better understand the mechanisms of deep brain stimulation, and solutions for the translational roadblock are emerging. Here, we define the needs for methodological advances in deep brain stimulation from a neurophysiological perspective and describe technological solutions that are currently evaluated for near‐term clinical application. © 2016 International Parkinson and Movement Disorder Society
A movement disorder with dystonia and ataxia caused by a mutation in the HIBCH gene
Authors: Schottmann Gudrun , Sarpong Akosua , Lorenz Carmen , Weinhold Natalie , Gill Esther , Teschner Lisa , Ferdinandusse Sacha , Wanders Ronald J. A. , Prigione Alessandro , Schuelke Markus
Published: July 2016

Background

Recessive mutations in the 3‐hydroxyisobutyryl‐CoA hydrolase gene (HIBCH) are associated with a rare neurodegenerative disease that affects the basal ganglia. Most patients die during infancy or early childhood. Here we describe 5 adolescent and adult patients from 2 unrelated families, who presented with a movement disorder and MRI features suggestive of Leigh syndrome.

Methods

Clinical and metabolic assessment was followed by autozygosity mapping and whole exome and Sanger sequencing. HIBCH enzyme activity and the bioenergetic profile were determined in patient fibroblasts.

Results

The movement disorder was dominated by ataxia in one family and by dystonia in the other. All affected family members carried the identical homozygous c.913A>G (p.T305A) HIBCH mutation. Enzyme activity was reduced, and a valine challenge reduced the oxygen consumption rate.

Conclusions

We report the first adult patients with HIBCH deficiency and a disease course much milder than previously reported, thereby expanding the HIBCH‐associated phenotypic spectrum. © 2016 International Parkinson and Movement Disorder Society
A moving Kriging‐based MLPG method for nonlinear Klein–Gordon equation
Authors: Shokri Ali , Habibirad Ali
Published: July 2016

In this paper, the meshless local Petrov–Galerkin approximation is proposed to solve the 2‐D nonlinear Klein–Gordon equation. We used the moving Kriging interpolation instead of the MLS approximation to construct the meshless local Petrov–Galerkin shape functions. These shape functions possess the Kronecker delta function property. The Heaviside step function is used as a test function over the local sub‐domains. Here, no mesh is needed neither for integration of the local weak form nor for construction of the shape functions. So the present method is a truly meshless method. We employ a time‐stepping method to deal with the time derivative and a predictor–corrector scheme to eliminate the nonlinearity. Several examples are performed and compared with analytical solutions and with the results reported in the extant literature to illustrate the accuracy and efficiency of the presented method. Copyright © 2016 John Wiley & Sons, Ltd.
Direct and inverse low‐frequency acoustic excitation of a layered sphere by an arbitrarily positioned point source
Authors: Prokopiou Prokopios , Tsitsas Nikolaos L.
Published: July 2016

A layered sphere is excited by an acoustic point source arbitrarily located inside or outside the sphere. First, the direct scattering problem is solved analytically by developing a transitions matrix methodology. Then, approximations of the acoustic far‐field in the low‐frequency regime are derived, by using asymptotic techniques, and are subsequently utilized in inverse scattering algorithms concerning either the determination of the sphere's characteristics or the parameters of an internal point source. Copyright © 2016 John Wiley & Sons, Ltd.
Effects of awareness program and delay in the epidemic outbreak
Authors: Samanta Sudip
Published: July 2016

In the present paper, an epidemic model has been proposed and analyzed to investigate the impact of awareness program and reporting delay in the epidemic outbreak. Awareness programs induce behavioral changes within the population, and divide the susceptible class into two subclasses, aware susceptible and unaware susceptible. The existence and the stability criteria of the equilibrium points are obtained in terms of the basic reproduction number. Considering time delay as the bifurcating parameter, the Hopf bifurcation analysis has been performed around the endemic equilibrium. The direction of the Hopf bifurcation and the stability of the bifurcating periodic solutions are investigated by using the normal form theory and central manifold theorem. To verify the analytical results, comprehensive numerical simulations are carried out. Copyright © 2016 John Wiley & Sons, Ltd.
Distortion correction in diffusion‐weighted imaging of the breast: Performance assessment of prospective, retrospective, and combined (prospective + retrospective) approaches
Authors: Hancu Ileana , Lee Seung‐Kyun , Hulsey Keith , Lenkinski Robert , Holland Dominic , Sperl Jonathan I. , Tan Ek T.
Published: July 2016

Purpose

To compare the effectiveness of prospective, retrospective, and combined (prospective + retrospective) EPI distortion correction methods in bilateral breast diffusion‐weighted imaging (DWI) scans.

Methods

Five healthy female subjects underwent an axial bilateral breast DWI exam with and without prospective B0 inhomogeneity correction using slice‐by‐slice linear shimming. In each case, an additional b=0 DWI scan was performed with the polarity of the phase‐encoding gradient reversed, to generate an estimated B0 map; this map or a separately acquired B0 map was used for retrospective correction, either alone or in combination with the prospective correction. The alignment between an undistorted, anatomical reference scan with similar contrast and the corrected b=0 DWI images with different correction schemes was assessed.

Results

The average cross‐correlation coefficient between the DWI images and the anatomical reference scan was increased from 0.82 to 0.92 over the five volunteers when combined prospective and retrospective distortion correction was applied. Furthermore, such correction substantially reduced patient‐to‐patient variation of the image alignment and the variability of the average apparent diffusion coefficient in normal glandular tissue.

Conclusion

Combined prospective and retrospective distortion correction can provide an efficient way to reduce susceptibility‐induced image distortions and enhance the reliability of breast DWI exams. Magn Reson Med 78:247–253, 2017. © 2016 International Society for Magnetic Resonance in Medicine
Secretomic analysis of extracellular vesicles originating from polyomavirus‐negative and polyomavirus‐positive Merkel cell carcinoma cell lines
Authors: Konstantinell Aelita , Bruun Jack‐Ansgar , Olsen Randi , Aspar Augusta , Škalko‐Basnet Nataša , Sveinbjørnsson Baldur , Moens Ugo
Published: July 2016

Extracellular vesicles or exosomes constitute an evolutionarily conserved mechanism of intercellular signaling. Exosomes are gaining an increasing amount of attention due to their role in pathologies, including malignancy, their importance as prognostic and diagnostic markers, and their potential as a therapeutic tool. Merkel cell carcinoma (MCC) is an aggressive form of skin cancer with a poor prognosis. Because an effective systemic treatment for this cancer type is currently not available, an exosome‐based therapy was proposed. However, comprehensive secretome profiling has not been performed for MCC. To help unveil the putative contribution of exosomes in MCC, we studied the protein content of MCC‐derived exosomes. Since approximately 80% of all MCC cases contain Merkel cell polyomavirus (MCPyV), the secretomes of two MCPyV‐negative and two MCPyV‐positive MCC cell lines were compared. We identified with high confidence 164 exosome‐derived proteins common for all four cell lines that were annotated in ExoCarta and Vesiclepedia databases. These include proteins implicated in motility, metastasis and tumor progression, such as integrins and tetraspanins, intracellular signaling molecules, chaperones, proteasomal proteins, and translation factors. Additional virus‐negative and virus‐positive MCC cell lines should be examined to identify highly representative exosomal proteins that may provide reliable prognostic and diagnostic biomarkers, as well as targets for treatment in the future. Data are available via ProteomeXchange with identifier PXD004198.
Current developments to use linear MALDI‐TOF spectra for the identification and typing of bacteria and the characterization of other cells/organisms related to infectious diseases
Authors: Karger Axel
Published: July 2016

Within the past few years identification of bacteria by MALDI‐TOF MS has become a standard technique in bacteriological laboratories for good reasons. MALDI‐TOF MS identification is rapid, robust, automatable, and the per‐sample costs are low. Yet, the spectra are very informative and the reliable identification of bacterial species is usually possible. Recently, new MS‐based approaches for the identification of bacteria are emerging that are based on the detailed analysis of the bacterial proteome by high‐resolution MS. These “proteotyping” approaches are highly discriminative and outperform MALDI‐TOF MS‐based identification in terms of specificity, but require a laborious proteomic workflow and far more expertise and sophisticated instrumentation than identification on basis of MALDI‐TOF MS spectra, which can be obtained with relative simple and uncostly linear MALDI‐TOF mass spectrometers. Thus MALDI‐TOF MS identification of bacteria remains an attractive option for routine diagnostics. Additionally, MALDI‐TOF MS identification protocols have been extended and improved in many respects making linear MALDI‐TOF MS a versatile tool that can be useful beyond the identification of a bacterial species, e.g. for the characterization of leucocytes and arthropod vectors of infectious diseases. This review focuses on such improvements and extensions of the typical MALDI‐TOF MS workflow in the field of infectious diseases.
Structural features of Cas2 from Thermococcus onnurineus in CRISPR‐cas system type IV
Authors: Jung Tae‐Yang , Park Kwang‐Hyun , An Yan , Schulga Alexy , Deyev Sergey , Jung Jong‐Hyun , Woo Eui‐Jeon
Published: July 2016

CRISPR‐Cas is RNA‐based prokaryotic immune systems that defend against exogenous genetic elements such as plasmids and viruses. Cas1 and Cas2 are highly conserved components that play an essential part in the adaptation stage of all CRISPR‐Cas systems. Characterization of CRISPR‐Cas genes in Thermococcus onnurineus reveals the association of the Cas2 gene with the putative type IV system that lacks Cas1 or its homologous genes. Here, we present a crystal structure of T. onnurineus Cas2 (Ton_Cas2) that exhibits a deep and wide cleft at an interface lined with positive residues (Arg16, Lys18, Lys19, Arg22, and Arg23). The obvious DNA recognizing loops in Cas2 from E. coli (Eco_Cas2) are absent in Ton_Cas2 and have significantly different shapes and electrostatic potential distributions around the putative nucleotide binding region. Furthermore, Ton_Cas2 lacks the hairpin motif at the C‐terminus that is responsible for Cas1 binding in Eco_Cas2. These structural features could be a unique signature and indicate an altered functional mechanism in the adaptation stage of Cas2 in type IV CRISPR‐Cas systems.
Crystal structure and analysis of HdaB: The enteroaggregative Escherichia coli AAF/IV pilus tip protein
Authors: Lee Wei‐Chao , Matthews Steve , Garnett James. A.
Published: July 2016

Enteroaggregative Escherichia coli is the primary cause of pediatric diarrhea in developing countries. They utilize aggregative adherence fimbriae (AAFs) to promote initial adherence to the host intestinal mucosa, promote the formation of biofilms, and mediate host invasion. Five AAFs have been identified to date and AAF/IV is amongst the most prevalent found in clinical isolates. Here we present the X‐ray crystal structure of the AAF/IV tip protein HdaB at 2.0 Å resolution. It shares high structural homology with members of the Afa/Dr superfamily of fimbriae, which are involved in host invasion. We highlight surface exposed residues that share sequence homology and propose that these may function in invasion and also non‐conserved regions that could mediate HdaB specific adhesive functions.
Neuronal Trans‐Differentiation in Prostate Cancer Cells
Authors: Farach Andrew , Ding Yi , Lee MinJae , Creighton Chad , Delk Nikki A. , Ittmann Michael , Miles Brian , Rowley David , Farach‐Carson Mary C. , Ayala Gustavo E.
Published: July 2016

BACKGROUND

Neuroendocrine (NE) differentiation in prostate cancer (PCa) is an aggressive phenotype associated with therapy resistance. The complete phenotype of these cells is poorly understood. Clinical classification is based predominantly on the expression of standard NE markers.

METHODS

We analyzed the phenotype of NE carcinoma of the prostate utilizing in vitro methods, in silico, and immunohistochemical analyses of human disease.

RESULTS

LNCaP cells, subjected to a variety of stressors (0.1% [v/v] fetal bovine serum, cyclic AMP) induced a reproducible phenotype consistent with neuronal trans‐differentiation. Cells developed long cytoplasmic processes resembling neurons. As expected, serum deprived cells had decreased expression in androgen receptor and prostate specific antigen. A significant increase in neuronal markers also was observed. Gene array analysis demonstrated that LNCaP cells subjected to low serum or cAMP showed statistically significant manifestation of a human brain gene expression signature. In an in silico experiment using human data, we identified that only hormone resistant metastatic prostate cancer showed enrichment of the “brain profile.” Gene ontology analysis demonstrated categories involved in neuronal differentiation. Three neuronal markers were validated in a large human tissue cohort.

CONCLUSION

This study proposes that the later stages of PCa evolution involves neuronal trans‐differentiation, which would enable PCa cells to acquire independence from the neural axis, critical in primary tumors. Prostate 76:1312–1325, 2016. © 2016 Wiley Periodicals, Inc.
Accumulation of Palmitoylcarnitine and Its Effect on Pro‐Inflammatory Pathways and Calcium Influx in Prostate Cancer
Authors: Al‐Bakheit Ala'a , Traka Maria , Saha Shikha , Mithen Richard , Melchini Antonietta
Published: July 2016

BACKGROUND

Acylcarnitines are intermediates of fatty acid oxidation and accumulate as a consequence of the metabolic dysfunction resulting from the insufficient integration between β‐oxidation and the tricarboxylic acid (TCA) cycle. The aim of this study was to investigate whether acylcarnitines accumulate in prostate cancer tissue, and whether their biological actions could be similar to those of dihydrotestosterone (DHT), a structurally related compound associated with cancer development.

METHODS

Levels of palmitoylcarnitine (palcar), a C16:00 acylcarnitine, were measured in prostate tissue using LC‐MS/MS. The effect of palcar on inflammatory cytokines and calcium (Ca2+) influx was investigated in in vitro models of prostate cancer.

RESULTS

We observed a significantly higher level of palcar in prostate cancerous tissue compared to benign tissue. High levels of palcar have been associated with increased gene expression and secretion of the pro‐inflammatory cytokine IL‐6 in cancerous PC3 cells, compared to normal PNT1A cells. Furthermore, we found that high levels of palcar induced a rapid Ca2+ influx in PC3 cells, but not in DU145, BPH‐1, or PNT1A cells. This pattern of Ca2+ influx was also observed in response to DHT. Through the use of whole genome arrays we demonstrated that PNT1A cells exposed to palcar or DHT have a similar biological response.

CONCLUSIONS

This study suggests that palcar might act as a potential mediator for prostate cancer progression through its effect on (i) pro‐inflammatory pathways, (ii) Ca2+ influx, and (iii) DHT‐like effects. Further studies need to be undertaken to explore whether this class of compounds has different biological functions at physiological and pathological levels. Prostate 76:1326–1337, 2016. © 2016 The Authors. The Prostate published by Wiley Periodicals, Inc.
Development of a population pharmacokinetic model of prucalopride in children with functional constipation
Authors: van Schaick Erno , Benninga Marc A. , Levine Amy , Magnusson Mats , Troy Steven
Published: July 2016

A recent phase 3 trial of prucalopride in children with functional constipation (SPD555‐303 ClinicalTrials.gov Identifier: NCT01330381) reported negative efficacy results. Here, we developed a population pharmacokinetic (PK) model of prucalopride in children to assess prucalopride exposure in SPD555‐303. An initial population PK model in children was developed based on sampled single‐dose data from a phase 1 study (PRU‐USA‐12). This model was subsequently updated with sampled data from SPD555‐303 and used to simulate plasma concentration–time profiles for children aged 6 months to 18 years who were treated once daily with prucalopride 0.02, 0.04, or 0.06 mg kg−1 (maximum dose, 2 mg). Simulated PK profiles were compared with those of adults at the recommended dose of 2 mg once daily. Data were available from 38 patients (median age, 8.5 years) in PRU‐USA‐12 and 137 patients (median age, 7.9 years) in SPD555‐303. Mean (range) area under the plasma concentration–time curve (AUC) at steady state was 62.3 (40.5–82.7) ng mL−1 h (dose, 0.03 mg kg−1) in PRU‐USA‐12 and 100.3 (22.7–286.0) ng mL−1 h (dose, 0.04 mg kg−1; maximum, 2 mg) in SPD555‐303. Prucalopride 0.04 mg kg−1 once daily in children produced similar maximum plasma concentrations and approximately 10% lower AUC compared with adults receiving 2 mg once daily. This population PK analysis indicates that the PK profile of prucalopride in children in SPD555‐303 was similar to that observed in adults. The negative efficacy results of SPD555‐303 cannot be explained by differences in prucalopride exposure between children and adults.
Characterization of death receptor 3‐dependent aortic changes during inflammatory arthritis
Authors: Williams Jessica O. , Wang Eddie C. Y. , Lang Derek , Williams Anwen S.
Published: July 2016

Murine collagen‐induced arthritis (mCIA) is characterized by decreased vascular constriction responses and increased MMP‐9. Here, we describe additional histological alterations within the aorta and surrounding perivascular adipose tissue (PVAT), study the role of PVAT in constriction response, and investigate the potential involvement of death receptor 3 (DR3). mCIA was induced in wild‐type (WT) and DR3−/− mice with nonimmunized, age‐matched controls. Vascular function was determined in isolated aortic rings ±PVAT, using isometric tension myography, in response to cumulative serotonin concentrations. Cellular expression of F4/80 (macrophages), Ly6G (neutrophils), DR3, and MMP‐9 was determined using immunohistochemistry. In WTs, arthritis‐induced vascular dysfunction was associated with increased F4/80+ macrophages and increased DR3 expression in the aorta and PVAT. MMP‐9 was also up‐regulated in PVAT, but did not correlate with alterations of PVAT intact constriction. DR3−/− mice inherently showed increased leukocyte numbers and MMP‐9 expression in the PVAT, but retained the same nonarthritic constriction response as DR3WT mice ±PVAT. Arthritic DR3−/− mice had a worsened constriction response than DR3WT and showed an influx of neutrophils to the aorta and PVAT. Macrophage numbers were also up‐regulated in DR3−/− PVAT. Despite this influx, PVAT intact DR3−/− constriction responses were restored to the same level as DR3WT. Impaired vascular constriction in inflammatory arthritis occurs independently of total MMP‐9 levels, but correlates with macrophage and neutrophil ingress. Ablating DR3 worsens the associated vasculature dysfunction, however, DR3−/− PVAT is able to protect the aorta against aberrant vasoconstriction caused in this model.
Pharmacological characterization of a novel potent, selective, and orally active phosphodiesterase 10A inhibitor, PDM‐042 [(E)‐4‐(2‐(2‐(5,8‐dimethyl‐[1,2,4]triazolo[1,5‐a]pyrazin‐2‐yl)vinyl)‐6‐(pyrrolidin‐1‐yl)pyrimidin‐4‐yl)morpholine] in rats: potential for the treatment of schizophrenia
Authors: Arakawa Keita , Maehara Shunsuke , Yuge Natsuko , Ishikawa Makoto , Miyazaki Yutaka , Naba Hiroyasu , Kato Yutaka , Nakao Kazunari
Published: July 2016

Recently, we identified a novel phosphodiesterase 10A (PDE10A) inhibitor, PDM‐042 ((E)‐4‐(2‐(2‐(5,8‐dimethyl‐[1,2,4]triazolo[1,5‐a]pyrazin‐2‐yl)vinyl)‐6‐(pyrrolidin‐1‐yl)pyrimidin‐4‐yl)morpholine). PDM‐042 showed potent inhibitory activities for human and rat PDE10A with IC50 values of less than 1 nmol/L and more than 1000‐fold selectivity against other phosphodiesterases. Tritiated PDM‐042, [3H]PDM‐042, had high affinity for membranes prepared from rat striatum with a Kd value of 8.5 nmol/L. The specific binding of [3H]PDM‐042 was displaced in a concentration‐dependent manner by PDM‐042 and another structurally unrelated PDE10A inhibitor, MP‐10. In rat studies, PDM‐042 showed excellent brain penetration (striatum/plasma ratio = 6.3), occupancy rate (86.6% at a dose of 3 mg/kg), and good oral bioavailability (33%). These data indicate that PDM‐042 is a potent, selective, orally active, and brain‐penetrable PDE10A inhibitor. In behavioral studies using rat models relevant to schizophrenia, PDM‐042 significantly antagonized MK‐801‐induced hyperlocomotion (0.1–0.3 mg/kg) without affecting spontaneous locomotor activity and attenuated the conditioned avoidance response (CAR) (0.3–1 mg/kg). In tests for adverse effects, PDM‐042 had a minimal effect on catalepsy, even at a much higher dose (10 mg/kg) than the minimal effective dose (0.3 mg/kg) in the CAR. Furthermore, PDM‐042 had no effect on prolactin release or glucose elevation up to 3 mg/kg, while risperidone increased prolactin release and olanzapine enhanced glucose levels at doses near their efficacious ones in the CAR. Our results suggest that PDM‐042 is a good pharmacological tool that can be used to investigate the role of PDE10A and may have therapeutic potential for the treatment of schizophrenia.
Sorption and desorption characteristics of methyl bromide during and after fumigation of pine (Pinus radiata D. Don) logs
Authors: Hall Matthew , Najar‐Rodriguez Adriana , Adlam Anthony , Hall Alistair , Brash Don
Published: July 2016

BACKGROUND

The sorption and desorption characteristics of methyl bromide (MB) were determined during and after fumigation of recently harvested pine (Pinus radiata D. Don) logs. The effects of dose (48 or 120 g m−3), degree of bark cover (0, 50 or 100%) and end‐grain sealing (sealed or unsealed) on sorption and desorption were determined over time.

RESULTS

Sorption of MB was proportional to the dose applied and dependent on the amount of end‐grain sealed. After 16 h, an average of 70.7 ± 2.5% of the initial concentration remained in the treated space when end‐grains were sealed, whereas only 47.3 ± 2.5% remained when unsealed. During aeration, MB was released from logs, initially ranging from 2.8 to 8.8 g · h m−3, depending on the treatment. The rate of desorption quickly decreased during aeration.

CONCLUSION

The surface area of a log is the most important factor influencing MB sorption and desorption rates, with greater surface area resulting in greater (de)sorption rates. Sorption data can now be combined with insect toxicity data to estimate a minimum effective dose of MB for further evaluation, while desorption data can be combined with fumigant plume modelling to assess worker safety. © 2016 Society of Chemical Industry
Criterion for comparison of MPACVD reactors working at different microwave frequencies and diamond growth conditions
Authors: Chernov V. V. , Gorbachev A. M. , Vikharev A. L. , Lobaev M. A.
Published: July 2016

In the paper, the criterion for comparison of different MPACVD reactors used for diamond film synthesis is introduced. The energy cost per atom of hydrogen arriving at the substrate is suggested for this purpose. The approach of using it for comparison of reactors is given. Numerical calculations of gas discharges in two different types of MPACVD reactors under different conditions are presented. The dependencies of the energy cost on gas pressure are obtained. The reactors are compared by the introduced criterion.
Ab initio perspective on structural and electronic properties of iron‐based superconductors
Authors: Guterding Daniel , Backes Steffen , Tomić Milan , Jeschke Harald O. , Valentí Roser
Published: July 2016

The discovery of iron pnictides and iron chalcogenides as a new class of unconventional superconductors in 2008 has generated an enormous amount of experimental and theoretical work that identifies these materials as correlated metals with multi‐orbital physics, where magnetism, nematicity, and superconductivity are competing phases that appear as a function of pressure and doping. A microscopic understanding of the appearance of these phases is crucial in order to determine the nature of superconductivity in these systems. Here, we review our recent theoretical efforts to describe and understand from first principles the properties of iron pnictides and chalcogenides with special focus on (i) pressure dependence, (ii) effects of electronic correlation, and (iii) origin of magnetism and superconductivity.
Development and verification of two convection‐allowing multi‐model ensembles over Western Europe
Authors: Beck Jeffrey , Bouttier François , Wiegand Lars , Gebhardt Christoph , Eagle Chloe , Roberts Nigel
Published: July 2016

Three storm‐scale ensemble prediction models (AROME‐EPS, COSMO‐DE‐EPS and MOGREPS‐UK) were combined over Western Europe to create two convection‐allowing, multi‐model ensemble prediction systems (EPSs), with the goal of improving ensemble spread–skill relationships and probabilistic forecasting ability. A shared, uniform grid of ∼2.2 km resolution was used, containing two regions where model domains overlapped (AROME‐EPS/COSMO‐DE‐EPS and AROME‐EPS/MOGREPS‐UK). Verification was conducted over a five‐month period spanning two years, using near‐surface observations of wind, temperature, relative humidity, and precipitation. Bias correction was also applied to each model in order to remove systematic error and to better assess the added value of the multi‐model ensembles. Analyses of EPS errors and ensemble scores are presented, including comparisons between individual EPS and multi‐model scores. Verification results show that the multi‐model ensembles exhibit generally lower root‐mean‐square error (RMSE), increased spread and improved relative operating characteristic (ROC), ROC area (ROCA) and Brier scores compared with the individual EPSs. In addition, a case study was selected to highlight discrepancies in precipitation frequency bias between the AROME‐EPS and COSMO‐DE‐EPS models, attributable to differences in the distribution and intensity of precipitation. When combined as a multi‐model EPS, the 6 h precipitation accumulation forecast for this case study matched the observations better than the individual EPS forecasts. Together, these results highlight the potential advantage of using multiple models with differing dynamics and physics parametrizations when developing a convection‐allowing EPS.
High‐throughput method for simultaneous quantification of N, C and S stable isotopes and contents in organics and soils
Authors: Mambelli Stefania , Brooks Paul D. , Sutka Robin , Hughes Scott , Finstad Kari M. , Nelson Joey Pakes , Dawson Todd E.
Published: July 2016

Rationale

Information about the sulfur stable isotope composition (δ34S value) of organic materials and sediments, in addition to their nitrogen (δ15N value) and carbon (δ13C value) stable isotope compositions, can provide insights into mechanisms and processes in different areas of biological and geological research. The quantification of δ34S values has traditionally required an additional and often more difficult analytical procedure than NC dual analysis. Here, we report on the development of a high‐throughput method that simultaneously measures the elemental and isotopic compositions of N, C and S in a single sample, and over a wide range of sample sizes and C/N and C/S ratios.

Methods

We tested a commercially available CHNOS elemental analyzer in line with an isotope ratio mass spectrometer for the simultaneous quantification of N, C and S stable isotope ratios and contents, and modified the elemental analyzer in order to overcome the interference of 18O in δ34S values, to minimize any water condensation that could also influence S memory, and to achieve the complete reduction of nitrogen oxides to N2 gas for accurate measurement of δ15N values. A selection of organic materials and soils was analyzed with a ratio of 1:1.4 standards to unknowns per run.

Results

The modifications allowed high quality measurements for N, C and S isotope ratios simultaneously (1 SD of ±0.13‰ for δ15N value, ±0.12‰ for δ13C value, and ±0.4‰ for δ34S value), with high throughput (>75 unknowns per run) and over a wide range of element amount per capsule (25 to 500 μg N, 200–4000 μg C, and 8–120 μg S).

Conclusions

This method is suitable for widespread use and can significantly enhance the application of δ34S measurements in a broad range of soils and organic samples in ecological and biogeochemical research. Copyright © 2016 John Wiley & Sons, Ltd.
RuCl3Promoted Efficient Synthesis ofZ‐Selective Macrocyclic Thiotetralactones via Ring‐Closing Metathesis
Authors: Muthusamy Sengodagounder , Kumar Muniyappankovilthottam Devaraj Senthil
Published: July 2016

Ring‐closing metathesis reactions of sulfur atom containing acyclic diolefins in the presence of Grubbs’ catalyst and ruthenium chloride as an additive were demonstrated to afford a range of symmetrical unsaturated macrocyclic thiotetralactones withZ‐selectivity having different ring sizes, spacers and sulfur atoms. The representative structure of macrocyclic thiotetralactones was characterized using single crystal X‐ray analysis. Subsequent reduction of unsaturated thiolactones furnished the corresponding saturated macrocyclic thiotetralactones.
Convenient Synthesis of the Protein Thermal‐Stabilizer Mannosylglycerate
Authors: Cheikh Khaled El , Bouffard Elise , Hamon Nadège , Morère Alain
Published: July 2016

Mannosylglycerate (MG) and its derivatives have received much attention during the past decade, especially because they play an important role as thermal‐stabilizers of several enzymes. Here we report a new and original synthetic method of (2R)‐2‐(α‐D‐mannopyranosyl)glycerate, which was prepared according to a five‐step procedure starting from commercially available 3,4‐O‐isopropylidene‐D‐mannitol as the glycerate source.
Selective Sensing of Nitrophenols by a Inorganic Coordination Polymer: [Cd2(C4H4O5)2(C5H5N5)].H2O. DMA
Authors: Sushrutha Sringeri Ramesh , Natarajan Srinivasan
Published: July 2016

A solvothermal reaction between cadmium nitrate, adenine and oxydiacetic acid gave rise to a new compound, [Cd2(C4H4O5)2(C5H5N5)].H2O. DMA (DMA:dimethyl amine). Single crystal structural studies indicated a two‐dimensional layer structure formed entirely by the connectivity between cadmium and oxydiacetic acid. The adenine ligand binds with the Cd metal center through the pyrimidine nitrogen and hangs in the inter layer spaces. The layers are arranged in a ABAB…. fashion. The inter layer spaces contain water and dimethyl amine molecules. The dimethyl amine molecule resulted from the hydrolysis of dimethyl acetamide employed as one of the solvent in the synthesis. The removal of water molecule can be achieved by heating the sample at 100 °C, which is also confirmed by single crystal XRD, PXRD and IR studies. The availability of free amino groups of adenine molecule was employed for the detection of nitroaromatics, especially nitrophenols with good sensitivity. The amino group was also found to be useful for Knoevenagel condensation reactions.
N‐Spirofused Bicyclic Derivatives of 1‐Deoxynojirimycin: Synthesis and Preliminary Biological Evaluation
Authors: D'Orazio Giuseppe , Martorana Alessandra M. , Filippi Giulia , Polissi Alessandra , Gioia Luca De , Ferla Barbara La
Published: July 2016

We synthesized a small library of N‐spirofused bicyclic derivatives of 1‐deoxynojirimycin (DNJ), as quaternary ammonium salts, through a double SN2 annulation process. The spirofused rings are of different size and structural characteristics. Preliminary biological evaluation showed no antibacterial activity towards both Gram+ and Gram‐ bacteria. The DNJ derivative bearing a 6 member spirofused cycle revealed a promising inhibitor activity towards amyloglucosidase. Binding energies calculated through docking studies resembled the in vitro capability of such compound and of DNJ to inhibit amyloglucosidase activity, while showing significant difference in the binding poses.
Validating the deuterium dilution method to measure body composition of common eider
Authors: Beuth Joshua M. , Paton Peter W. C. , Osenkowski Jason E. , McWilliams Scott R.
Published: July 2016

We conducted the first validation of the deuterium dilution method as a nonlethal technique for estimating body composition of a sea duck. We captured male (n = 11) and female (n = 8) American common eiders (Somateria mollissima dresseri) during winters of 2011–2012 and 2012–2013 in southern New England, USA, and compared their directly measured body composition with that estimated using deuterium‐dilution. The best‐supported linear regression models predicted wet lean and fat mass with, on average, 2.0% and 20.2% relative errors, respectively. The deuterium dilution method provides field biologists and managers with a nonlethal method for accurately estimating body composition of common eider during winter. The method is broadly applicable to other migratory birds and can be used to evaluate the effects of ecological and anthropogenic drivers on body composition dynamics. © 2016 The Wildlife Society.
Mechanism of the Inhibitory Effect of Hydroxytyrosol on Lipid Oxidation in Different Bulk Oil Systems
Authors: Mahdavianmehr Hadi , Farhoosh Reza , Sharif Ali
Published: July 2016

The autoxidation of purified triacylglycerols obtained from fish, canola, and olive oils in the presence of different concentrations of hydroxytyrosol at 60–100 °C was evaluated by different kinetic parameters including the stabilizing factor (F) as a measure of effectiveness, the oxidation rate ratio (ORR) as a measure strength, and the antioxidant activity (A) which combines the F and ORR parameters. The overall performance of hydroxytyrosol was attributed to the main reaction of chain termination () as competed with the main oxidation reaction of chain propagation () and, additionally, the antioxidative side reactions of chain propagation ( and ), and the pro‐oxidative side reaction of chain initiation () in some cases.
Some Calloporid (Bryozoa: Cheilostomata) Species from the Cenozoic Sediments of Western Kachchh, Gujarat
Authors: Sonar M. A. , Pawar R. V.
Published: July 2016

Seven species of Calloporid (family Calloporidae Norman, 1903) Bryozoa are described from the Cenozoic sediments of the western Kachchh, Gujarat, India. Among these Planicellaria walsariensis, Dionella sp., Pyriporella charopadiensis, P. vadsariensis and Wilbertopora sp. are new and the other species viz; Crassimarginatella blandfordi and Reptoporina chhasraensis are reported for the second time from these sediments. The phylogenetic analysis suggests all the species of Calloporid bryozoans are monophyletic i.e. all of these species have common ancestor.
A Neotectonic based Geomorphic Analysis using Remote Sensing Data to Delineate Potential Areas of Hydrocarbon Exploration: Cachar Area, Assam
Authors: Mazumder Subhobroto , Adhikari Kalyan , Mitra Durga Shanker , Mahapatra Samiran , Pangtey Krishan Kumar Singh
Published: July 2016

The Assam Arakan fold thrust belt has highly deformed folded units of Tertiary sediments bounded by eastward dipping thrust slices with a convexity towards west. In the Tripura-Cachar region, this folded belt is characterized by the occurrence of wide synclines and narrow anticlines that hosts a number of hydrocarbon producing fields. In the Cachar area of Assam, most of these fields occur in the culmination of anticlinal structures. Other wells drilled in analogous structural settings are found to be dry. In this paper a neotectonic based geomorphic analysis is carried out to delineate a fault network and geomorphic highs in Cachar area as expressions of sub-surface structures which had subsequently been validated by available geophysical data. Of these geomorphic highs, those that are in the synclinal areas are believed to represent subtle sub-surface structural highs. Synclinal structures associated with NNE-SSW faults might be considered interesting for hydrocarbon exploration and are subsequently categorized following their degree of confidence for exploration of hydrocarbon. Additionally, a genetic model of the structures in the region is also proposed.
Geothermal Gradients and Heat Flow Variations in Parts of the Eastern Niger Delta, Nigeria
Authors: Odumodu Chukwuemeka Frank R. , Mode Ayonma Wilfred
Published: July 2016

Geothermal gradients and present day heat flow values were evaluated for about seventy one wells in parts of the eastern Niger delta, using reservoir and corrected bottom – hole temperatures data and other data collected from the wells. The results showed that the geothermal gradients in the shallow/continental sections in the Niger delta vary between 10 - 18° C/km onshore, increasing to about 24° C/km seawards, southwards and eastwards. In the deeper (marine/paralic) section, geothermal gradients vary between 18 - 45° C/km. Heat flow values computed using Petromod 1–D modeling software and calibrated against corrected BHT and reservoir temperatures suggests that heat flow variations in this part of the Niger delta range from 29 – 55 mW/m2 (0.69 – 1.31 HFU) with an average value of 42.5 mW/m2 (1.00 HFU). Heat flow variations in the eastern Niger delta correspond closely to variations in geothermal gradients. Geothermal gradients increase eastwards, northwards and seawards from the coastal swamp. Vertically, thermal gradients in the Niger delta show a continuous and non-linear relationship with depth, increasing with diminishing sand percentages. As sand percentages decrease eastwards and seawards, thermal gradient increases. Lower heat flow values (< 40 mW/m2) occur in the western and north central parts of the study area. Higher heat flow values (40 - 55 mW/m2) occur in the eastern and northwestern parts of the study area. A significant regional trend of eastward increase in heat flow is observed in the area. Other regional heat flow trends includes; an eastwards and westwards increase in heat flow from the central parts of the central swamp and an increase in heat flow from the western parts of the coastal swamp to the shallow offshore. Vertical and lateral variations in thermal gradients and heat flow values in parts of the eastern Niger delta are influenced by certain mechanisms and geological factors which include lithological variations, variations in basement heat flow, temporal changes in thermal gradients and heat flow, related to thicker sedmentary sequence, prior to erosion and evidenced by unconformities, fluid redistribution by migration of fluids and different scales of fluid migration in the sub-surface and overpressures.
On variation and uncertainty
Authors: Leppink Jimmie , O’Sullivan Patricia , Winston Kal
Published: July 2016

None
Red cell distribution width and all‐cause mortality in patients with atrial fibrillation: A cohort study
Authors: Saliba Walid , Barnett‐Griness Ofra , Rennert Gad
Published: July 2016

Background

Increased red cell distribution width (RDW), a measure of red cell size variability, has been associated with increased mortality in multiple cardiovascular diseases. However, whether RDW is associated with increased mortality in patients with atrial fibrillation remains unknown.

Methods

Using the computerized database of the largest health maintenance organization in Israel, we identified a cohort of adults with atrial fibrillation diagnosed before January 1, 2012. Cardiovascular risk factors and comorbidities were ascertained using an electronic medical record–based algorithm. Mortality was established using the National Death Index through December 31, 2013.

Results

Of 69,412 patients, 12,104 (17.4%) participants died during follow‐up. The crude, two‐year cumulative all‐cause mortality rate increased across RDW quartiles; 9.8%, 13.6%, 18.8%, and 28.5%, respectively. After adjustment for age, sex, anemia, cardiovascular risk factors, comorbidities, and medication use, compared to the lowest RDW quartile, the hazard ratio (HR) for mortality was 1.20 (95% CI, 1.13–1.27) in the second quartile, 1.44 (1.36–1.53) in the third quartile, and 1.90 (1.79–2.00) in the highest RDW quartile. The results were similar after further adjustment for smoking, socioeconomic status, renal function, low and high density lipoprotein cholesterol levels, with HR=1.82 (1.71–1.93) in the highest RDW quartile compared to the lowest quartile. Changes in RDW over time were strongly associated with mortality; increased RDW was associated with higher risk of mortality and decline in RDW was associated with decreased mortality.

Conclusions

RDW and changes in RDW are independently associated with the risk of all‐cause mortality in patients with atrial fibrillation.
Automatic atrial capture device control in real‐life practice: A multicenter experience
Authors: Giammaria Massimo , Quirino Gianluca , Alberio Mariangela , Parravicini Umberto , Cipolla Eliana , Rossetti Guido , Ruocco Antonio , Senatore Gaetano , Rametta Francesco , Pistelli Paolo
Published: July 2016

Background

Device‐based fully automatic pacing capture detection is useful in clinical practice and important in the era of remote care management.

The main objective of this study was to verify the effectiveness of the new ACAP Confirm® algorithm in managing atrial capture in the medium term in comparison with early post‐implantation testing.

Methods

Data were collected from 318 patients (66% male; mean age, 73±10 years); 237 of these patients underwent device implantation and 81 box changes in 31 Italian hospitals. Atrial threshold measurements were taken manually and automatically at different pulse widths before discharge and during follow‐up (7±2 months) examination.

Results

The algorithm worked as expected in 73% of cases, considering all performed tests. The success rate was 65% and 88% pre‐discharge and during follow‐up examination (p<0.001), respectively, in patients who had undergone implantation. We did not detect any difference in the performance of the algorithm as a result of the type of atrial lead used. The success rate was 70% during pre‐discharge testing in patients undergoing device replacement.

Considering all examination types, manual and automatic measurements yielded threshold values of 1.07±0.47 V and 1.03±0.47 V at 0.2‐ms pulse duration (p=0.37); 0.66±0.37 V and 0.67±0.36 V at 0.4 ms (p=0.42); and 0.5±0.28 V and 0.5±0.29 V at 1 ms (p=0.32).

Conclusions

The results show that the algorithm works before discharge, and its reliability increases over the medium term. The algorithm also proved accurate in detecting the atrial threshold automatically. The possibility of activating it does not seem to be influenced by the lead type used, but by the time from implantation.
Metastatic breast cancer: The Odyssey of personalization
Authors: Sonnenblick A. , Pondé N. , Piccart M.
Published: July 2016

Metastatic breast cancer is the most frequent cause of cancer death for women worldwide. In the last 15 years, a large number of new agents have entered clinical use, a result of the dramatic increase in our understanding of the molecular underpinnings of metastatic breast cancer. However, while these agents have led to better outcomes, they are also at the root cause of increasing financial pressure on healthcare systems. Moreover, decision making in an era where every year new agents are added to the therapeutic armamentarium has also become a significant challenge for medical oncologists. In the present article, we will provide an ample review on the most recent developments in the field of treatment of the different subtypes of metastatic breast cancer with a critical discussion on the slow progress made in identifying response biomarkers. New hopes in the form of ctDNA monitoring and functional imaging will be presented.
The flow dynamics of the garden-hose instability
Authors: Xie Fangfang , Zheng Xiaoning , Triantafyllou Michael S. , Constantinides Yiannis , Karniadakis George Em
Published: July 2016

We present fully resolved simulations of the flow–structure interaction in a flexible pipe conveying incompressible fluid. It is shown that the Reynolds number plays a significant role in the onset of flutter for a fluid-conveying pipe modelled through the classic garden-hose problem. We investigate the complex interaction between structural and internal flow dynamics and obtain a phase diagram of the transition between states as function of three non-dimensional quantities: the fluid-tension parameter, the dimensionless fluid velocity and the Reynolds number. We find that the flow patterns inside the pipe strongly affect the type of induced motion. For unsteady flow, if there is symmetry along a direction, this leads to in-plane motion whereas breaking of the flow symmetry results in both in-plane and out-of-plane motions. Hence, above a critical Reynolds number, complex flow patterns result for the vibrating pipe as there is continuous generation of new vorticity due to the pipe wall acceleration, which is subsequently shed in the confined space of the interior of the pipe.