bluuebunny/crossref_metadata_2025 huggingface dataset:
Including Kinetic Ion Effects in the Coupled Global Ionospheric Outflow Solution
Authors: Glocer A. , Toth G. , Fok M.‐C.
Published: March 2018

We present a new expansion of the Polar Wind Outflow Model to include kinetic ions using the particle‐in‐cell (PIC) approach with Monte Carlo collisions. This implementation uses the original hydrodynamic solution at low altitudes for efficiency and couples to the kinetic solution at higher altitudes to account for kinetic effects important for ionospheric outflow. The modeling approach also includes wave‐particle interactions, suprathermal electrons, and a hybrid parallel computing approach combining shared and distributed memory paralellization. The resulting model is thus a comprehensive, global, model of ionospheric outflow that can be run efficiently on large supercomputing clusters. We demonstrate the model's capability to study a range of problems starting with the comparison of kinetic and hydrodynamic solutions along a single field line in the sunlit polar cap, and progressing to the altitude evolution of the ion conic distribution in the cusp region. The interplay between convection and the cusp on the global outflow solution is also examined. Finally, we demonstrate the impact of these new model features on the magnetosphere by presenting the first two‐way coupled ionospheric outflow‐magnetosphere calculation including kinetic ion effects.
Coronal Flux Rope Catastrophe Associated With Internal Energy Release
Authors: Zhuang Bin , Hu Youqiu , Wang Yuming , Zhang Quanhao , Liu Rui , Gou Tingyu , Shen Chenglong
Published: March 2018

Magnetic energy during the catastrophe was predominantly studied by the previous catastrophe works since it is believed to be the main energy supplier for the solar eruptions. However, the contribution of other types of energies during the catastrophe cannot be neglected. This paper studies the catastrophe of the coronal flux rope system in the solar wind background, with emphasis on the transformation of different types of energies during the catastrophe. The coronal flux rope is characterized by its axial and poloidal magnetic fluxes and total mass. It is shown that a catastrophe can be triggered by not only an increase but also a decrease of the axial magnetic flux. Moreover, the internal energy of the rope is found to be released during the catastrophe so as to provide energy for the upward eruption of the flux rope. As far as the magnetic energy is concerned, it provides only part of the energy release, or even increases during the catastrophe, so the internal energy may act as the dominant or even the unique energy supplier during the catastrophe.
Exploring the Potential Impact of Greenland Meltwater on Stratification, Photosynthetically Active Radiation, and Primary Production in the Labrador Sea
Authors: Oliver Hilde , Luo Hao , Castelao Renato M. , van Dijken Gert L. , Mattingly Kyle S. , Rosen Joshua J. , Mote Thomas L. , Arrigo Kevin R. , Rennermalm Åsa K. , Tedesco Marco , Yager Patricia L.
Published: March 2018

In July 2012, the surface of the Greenland Ice Sheet (GrIS) melted to an extent unprecedented over the last 100 years; we questioned the potential for such an extreme melt event to impact marine phytoplankton offshore. We hypothesized that stratification from meltwater could reduce light limitation for phytoplankton, and used a suite of numerical models to quantify the impact for 2003–2012. Because much of the 2012 meltwater discharged from southern Greenland, our study focused on the southwestern and southeastern coasts of Greenland, and the Labrador Sea. A 1‐D phytoplankton model used output from a Regional Ocean Modeling System (ROMS) coupled with a Regional Climate Model and a hydrological model of meltwater from runoff sources on the ice sheet, peripheral glaciers, and tundra. ROMS was run with and without meltwater to test the sensitivity of phytoplankton photosynthetic rates to the meltwater input. With meltwater, the pycnocline was shallower during late summer and early fall and thus light limitation on photosynthesis was reduced. Averaged over all years, added meltwater had the potential to increase gross primary production by 3–12% in the summer (July–August), and 13–60% in the fall (September–October). This meltwater effect was amplified when light was more limiting, and thus was greatest in the fall, under cloudier conditions, with higher self‐shading, and with more light‐sensitive phytoplankton groups. As the GrIS melt is projected to increase, late summer primary production in this region has the potential to increase as well, which could constitute an important biosphere response to high‐latitude climate change.
A study on the living environment of Bangladeshi foreign residents in Kita‐ku, Tokyo: Influence on the concentrated area in a receiving country of migrant workers from chain migration based on international labor movement
Authors: Kitahara Reiko , Otsuki Toshio
Published: March 2018

This study focused on Bangladeshi foreign residents as a case study of an ethnic group. It aimed to clarify the influence on the living environment from the concentration of foreign residents in Kita‐ku, Tokyo. Bangladeshi foreign residents have concentrated in Urban Renaissance (UR) rental housing based on the ethnic network of social classes. At the same time, there has been expansion of living facilities based on Bangladesh culture in the area surrounding the housing estates. The foreign residents’ residential style has gradually transitioned from temporary single migration to long‐term family settlement. The local government of the area has required deep understanding and quick response in support of foreign residents to prevent the social problem of spatial and social segregation.
What Remains Unexplained about the Properties of Halide Perovskites?
Authors: Egger David A. , Bera Achintya , Cahen David , Hodes Gary , Kirchartz Thomas , Kronik Leeor , Lovrincic Robert , Rappe Andrew M. , Reichman David R. , Yaffe Omer
Published: March 2018

The notion that halide perovskite crystals (ABX3, where X is a halide) exhibit unique structural and optoelectronic behavior deserves serious scrutiny. After decades of steady and half a decade of intense research, the question which attributes of these materials are unusual, is discussed, with an emphasis on the identification of the most important remaining issues. The goal is to stimulate discussion rather than to merely present a community consensus.
Palladium‐Catalyzed Sequential C(sp2)‐H Alkynylation/Annulation of 2‐Phenylphenols with Haloalkynes Using Phenolic Hydroxyl as the Traceless Directing Group
Authors: Jiang Guangbin , Fang Songjia , Hu Weigao , Li Jianxiao , Zhu Chuanle , Wu Wanqing , Jiang Huanfeng
Published: March 2018

An efficient, palladium(II)‐catalyzed, C(sp2)‐H alkynylation/annulation of 2‐phenylphenols with haloalkynes for the synthesis of substituted 6‐methylene‐6H‐dibenzo[b,d]pyrans is reported. This protocol features a traceless directing group strategy, unique regioselectivity and mild reaction conditions. Significantly, preliminary mechanistic studies suggest that the sequential C(sp2)‐H alkynylation and annulation reaction could be involved in the transformation procedure.

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Nutcracker syndrome: A proposed ultrasound protocol
Authors: Englund Katherine M. , Rayment Michael
Published: March 2018

Background

Nutcracker phenomenon (NCP) describes the compression of the left renal vein between the aorta and the superior mesenteric artery. Nutcracker Syndrome (NCS) refers to the clinical manifestations of NCP.

Aims

This paper aims to provide education and ultrasound protocol for Clinicians and Sonographers who encounter patients with the symptoms of NCS during their course of practice.

Methods

The following report examines two case studies where a diagnosis of NCP was made from clinical history and ultrasound findings. Based on these case studies, we would like to propose an appropriate ultrasound scanning protocol for patients presenting with symptoms of gonadal vein incompetence.

Results

The above case studies highlight the need for further assessment with ultrasound to help diagnose cases of NCP.

Conclusion

The proposed ultrasound techniques are a valid protocol extension to the ultrasound examination to help diagnose NCP.
Impact of an intensive education programme of diagnostic lung and lower limb ultrasound on physiotherapist knowledge: A pilot study
Authors: Ntoumenopoulos George , Parry Selina M. , Neindre Aymeric Le
Published: March 2018

Introduction/Purpose

Diagnostic ultrasound of the respiratory system and peripheral muscular systems is increasingly being used by clinicians. The aim of this study was to evaluate the knowledge outcomes of a bespoke one‐day curriculum for physiotherapists that incorporated lung, diaphragm and lower limb muscle diagnostic ultrasound theory and practical training in image acquisition and analysis.

Methods

A one‐day course comprised of three instructors and 32 participants on key diagnostic ultrasound findings of the lungs, diaphragm and lower limb musculature included didactic lectures combined with expert‐led hands‐on training in practical sessions. Participants undertook pre‐ and post‐course knowledge questionnaire covering key ultrasound findings for normal lungs, pleural/pulmonary pathologies and normal and abnormal findings for the diaphragm and key lower limb muscle groups. The pre‐test and post‐test questionnaire and survey results were reported using parametric descriptive statistics (meansSD) as the data were normally distributed.

Results

Of the 32 physiotherapists who undertook the one‐day training, 25 (78%) completed the pre‐ and post‐course questionnaires. The pre‐course knowledge scores (mean percentage,SD) were 63% (21), and the post‐course scores were 62% (20) after training.

Discussion

This novel diagnostic ultrasound course led to limited improvements of ultrasound knowledge in the specific areas of the key ultrasound findings pulmonary system and lower limb muscle anatomy. The pre‐reading material and course structure may have been too burdensome for the participants.

Conclusion

Combined lung and muscle diagnostic ultrasound course may require more than the standard one‐day training for appropriate knowledge acquisition, and use of online pre‐course video lectures may facilitate learning.
Taste impairment in chronic rhinosinusitis
Authors: Othieno Florence , Schlosser Rodney J. , Rowan Nicholas R. , Storck Kristina A. , Mattos Jose L. , Smith Timothy L. , Soler Zachary M.
Published: March 2018

Background

Though many patients with chronic rhinosinusitis (CRS) describe disturbances in smell and taste, there have been no studies specifically assessing taste impairment in CRS. This study sought to objectively assess taste dysfunction in CRS patients and determine whether taste impairment correlates with olfactory dysfunction. Additionally, this investigation sought to determine the impact of taste dysfunction on quality of life (QOL) in CRS and identify the clinical factors that influence taste.

Methods

Sixty‐eight CRS patients were prospectively enrolled and completed several QOL surveys in relation to taste, smell, overall sinus‐specific QOL, and depression. Validated taste strips were used to determine gustatory dysfunction pertaining to sweet, sour, salty, and bitter. Olfactory testing was assessed using the Sniffin’ Sticks Test while both Lund‐Kennedy and Olfactory Cleft Endoscopy Scoring (OCES) systems were used for endoscopic evaluation.

Results

The overall prevalence of dysgeusia was 28%, with scores significantly lower for sour compared to other subgroups. No correlation was observed between taste scores and objective olfactory metrics including olfaction tests and OCES. Taste scores were better in younger patients (r = 0.28, p = 0.02), female patients (p = 0.004), and never smokers compared to former smokers (p = 0.01). Taste scores did not correlate with patient‐reported outcome measures or CRS disease severity metrics.

Conclusion

Taste dysfunction is a common complaint in CRS. This cohort shows prevalence of gustatory loss to be about 28% using ideal normative values. This dysfunction correlated with male gender, smoking history, and older age. Taste dysfunction did not correlate with measured olfactory outcomes.
Dynamic Nuclear Polarization‐Enhanced Biomolecular NMR Spectroscopy at High Magnetic Field with Fast Magic‐Angle Spinning
Authors: Jaudzems Kristaps , Bertarello Andrea , Chaudhari Sachin R. , Pica Andrea , Cala‐De Paepe Diane , Barbet‐Massin Emeline , Pell Andrew J. , Akopjana Inara , Kotelovica Svetlana , Gajan David , Ouari Olivier , Tars Kaspars , Pintacuda Guido , Lesage Anne
Published: March 2018

Dynamic nuclear polarization (DNP) is a powerful way to overcome the sensitivity limitation of magic‐angle‐spinning (MAS) NMR experiments. However, the resolution of the DNP NMR spectra of proteins is compromised by severe line broadening associated with the necessity to perform experiments at cryogenic temperatures and in the presence of paramagnetic radicals. High‐quality DNP‐enhanced NMR spectra of the Acinetobacter phage 205 (AP205) nucleocapsid can be obtained by combining high magnetic field (800 MHz) and fast MAS (40 kHz). These conditions yield enhanced resolution and long coherence lifetimes allowing the acquisition of resolved 2D correlation spectra and of previously unfeasible scalar‐based experiments. This enables the assignment of aromatic resonances of the AP205 coat protein and its packaged RNA, as well as the detection of long‐range contacts, which are not observed at room temperature, opening new possibilities for structure determination.
Design, synthesis, and neuroprotective effects of dual‐brain targeting naproxen prodrug
Authors: Wang Linhui , Zhang Li , Zhao Yi , Fu Qiuyi , Xiao Wenjiao , Lu Runxin , Hai Li , Guo Li , Wu Yong
Published: March 2018

A new dual‐targeting naproxen prodrug conjugated with glucose and ascorbic acid for central nervous system (CNS) drug delivery was designed and synthesized in order to effectively deliver naproxen to the brain. Naproxen could be released from the prepared prodrugs when incubated with various buffers, mouse plasma, and brain homogenate. Also, the prodrug showed superior neuroprotective effect in vivo over naproxen. Our results suggest that chemical modification of therapeutics with warheads of glucose and ascorbic acid represents a promising and efficient strategy for the development of brain targeting prodrugs by utilizing the endogenous transportation mechanism of the warheads.
Metal‐Free Allylic Oxidation of Steroids Using TBAI/TBHP Organocatalytic Protocol
Authors: Lam Ying‐Pong , Yeung Ying‐Yeung
Published: March 2018

A mild, efficient and organocatalytic allylic oxidation of steroids using a TBAI/TBHP protocol has been developed. A range of bioactive Δ5‐en‐7‐ones can be easily prepared from the corresponding Δ5‐steroids. The methodology features several advantages, including readily available starting materials, environmentally benign oxidant, high functional group compatibility, and metal‐free catalysis.
Terpenes from Euphorbia antiquorum and Their in Vitro Anti‐HIV Activity
Authors: Dong Miao , Chen Xuan‐Qin , Chen Chin‐Ho , Li Rong‐Tao
Published: March 2018

Three new compounds (1 – 3), including two euphane type triterpenes, 24,24‐dimethoxy‐25,26,27‐trinoreuphan‐3β‐ol (1) and (24S)‐24‐hydroperoxyeupha‐8,25‐dien‐3β‐ol (2), and an ent‐atisine diterpene, ent‐atisane‐3α,16α,17‐triol (3), were isolated from an acetone extract of the stems of Euphorbia antiquorum, together with eight known diterpenes (4 – 11). The structures of compounds (1 – 11) were elucidated using NMR and MS spectroscopic methods. Compound 7 showed moderate activity against HIV‐1 replication in vitro (EC50 = 1.38 μm).
Autonomous dysfunction in Lyme neuroborreliosis. A case report
Authors: Hansen Bent‐Are , Finjord Torgeir , Bruserud Øyvind
Published: March 2018

Key Clinical Message

The diagnosis of Lyme neuroborreliosis should be considered whenever a patient presents with neurological symptoms and comes from an endemic area. However, atypical clinical presentation occurs including gastrointestinal manifestations because of autonomous dysfunction.
Chemical Insights into the Antioxidant Mechanisms of Alkylseleno and Alkyltelluro Phenols: Periodic Relatives Behaving Differently
Authors: Marino Tiziana , Galano Annia , Mazzone Gloria , Russo Nino , Alvarez‐Idaboy Juan Raúl
Published: March 2018

The possible antioxidant reaction mechanisms of recently synthesized and tested alkylseleno (telluro) phenols have been explored using density functional theory by considering two solvents physiologically relevant, water and pentylethanoate (PE). In addition, the possible pathway for the antioxidant regeneration with ascorbic acid has been investigated. Results show that selenium and tellurium systems follow different chemical behaviors. In particular, the alkylseleno phenol (ebselenol) antioxidant activity is justified through a sequential proton loss–electron‐transfer mechanism in water media, whereas in PE the hydrogen‐atom transfer process is favored. In the case of the tellurium derivative, the oxygen‐transfer mechanism represents the preferential one. Furthermore, electronic properties have been analyzed to rationalize the different reactivity of the selenium‐ and tellurium‐containing systems. To confirm the results, smaller but similar systems were also investigated. The calculated data support the different mechanism (Se vs. Te) proposals.
Telescoping Reactions with Trifluorodiazoethane‐Derived Aza‐Wittig Reagents and Allenyl esters
Authors: Zhang Fa‐Guang , Zeng Jun‐Liang , Tian Yi‐Qiang , Zheng Yan , Cahard Dominique , Ma Jun‐An
Published: March 2018

A telescoping process involving the consecutive addition of four reagents (trifluorodiazoethane, phosphine, allenyl ester, and acetic acid) into a single reactor was developed for the novel functionalization of allenyl esters. First, new phosphazenes derived from trifluorodiazoethane and phosphines were generated and reacted with allenyl esters to give unexpected α‐iminophosphoranes through the creation of C=P, C=N, and C−H bonds at the α‐, β‐, and γ‐carbon atoms, respectively, of the allenyl esters. The α‐iminophosphoranes did not react with aldehydes in a classic Wittig reaction, but instead β‐enamino esters were obtained. The overall sequence of reactions offered a formal hydrohydrazonation of allenyl esters. The method was extended to other related diazo compounds and applied to the preparation of novel 5‐pyrazolone derivatives. Not only is the telescoping process described herein an effective approach for truncating the multistep synthesis, but also each step has been dissected to understand and support the reaction mechanisms.
Nitrogen Analogues of o‐Quinodimethane with Unexpected non‐Kekulé Diradical Character
Authors: Li Tao , Cheng Cheng , Yuan Ningning , Wang Lei , Chen Chao , Tan Gengwen , Wang Xinping
Published: March 2018

Two‐electron oxidations of three 1,2‐di(bisphenylamino)‐benzenes afforded a class of nitrogen analogues of o‐quinodimethane. Their electronic structures in the ground state were studied by spectroscopic techniques including EPR and UV‐vis absorption spectroscopy. They have open‐shell singlet ground states with thermally accessible triplet states. One of them (12+) has been crystalized and isolated. SQUID measurements, single crystal X‐ray diffraction and theoretical calculations show 12+ has unexpected non‐Kekulé diradical character, sharply different from o‐quinodimethane.
Digoxin use and lower risk of 30‐day all‐cause readmission in older patients with heart failure and reduced ejection fraction receiving β‐blockers
Authors: Lam Phillip H. , Bhyan Poonam , Arundel Cherinne , Dooley Daniel J. , Sheriff Helen M. , Mohammed Selma F. , Fonarow Gregg C. , Morgan Charity J. , Aronow Wilbert S. , Allman Richard M. , Waagstein Finn , Ahmed Ali
Published: March 2018

Background

Digoxin use has been associated with a lower risk of 30‐day all‐cause admission and readmission in patients with heart failure and reduced ejection fraction (HFrEF).

Hypothesis

Digoxin use will be associated with improved outcomes in patients with HFrEF receiving β‐blockers.

Methods

Of the 3076 hospitalized Medicare beneficiaries with HFrEF (EF <45%), 1046 received a discharge prescription for β‐blockers, of which 634 were not on digoxin. Of the 634, 204 received a new discharge prescription for digoxin. Propensity scores for digoxin use, estimated for each of the 634 patients, were used to assemble a matched cohort of 167 pairs of patients receiving and not receiving digoxin, balanced on 30 baseline characteristics. Matched patients (n = 334) had a mean age of 74 years and were 46% female and 30% African American.

Results

30‐day all‐cause readmission occurred in 15% and 27% of those receiving and not receiving digoxin, respectively (hazard ratio [HR]: 0.51, 95% confidence interval [CI]: 0.31‐0.83, P = 0.007). This beneficial association persisted during 4 years of follow‐up (HR: 0.72, 95% CI: 0.57‐0.92, P = 0.008). Digoxin use was also associated with a lower risk of the combined endpoint of all‐cause readmission or all‐cause mortality at 30 days (HR: 0.54, 95% CI: 0.34‐0.86, P = 0.009) and at 4 years (HR: 0.76, 95% CI: 0.61‐0.96, P = 0.020).

Conclusions

In hospitalized patients with HFrEF receiving β‐blockers, digoxin use was associated with a lower risk of 30‐day all‐cause readmission but not mortality, which persisted during longer follow‐up.
A Templateless Electropolymerization Approach to Porous Hydrophobic Nanostructures Using 3,4‐Phenylenedioxythiophene Monomers with Electron‐Withdrawing Groups
Authors: Darmanin Thierry , Godeau Guihem , Guittard Frédéric , Klimareva Elena L. , Schewtschenko Irina , Perepichka Igor F.
Published: March 2018

Controlling the surface structures of conducting polymers is extremely important for various applications not only because of their unique optoelectronic properties but also owing to the wetting properties of these materials. Using a templateless electropolymerization approach, we report the formation of porous polymer nanostructures from a series of 3,4‐(1,2‐phenylenedioxy)(PheDOT) derivatives with electron‐withdrawing side groups (Cl, CN, CF3, SO2CH3). In this templateless electropolymerization, trace water present in solution is sufficient to produce gas bubbles (O2 and H2) and, as a consequence, to form the porous nanostructures with a tendency to form nanotubes on the surface. We show that the substituents in PheDOT play an important role to control the porous nanostructures and, as a consequence, the surface hydrophobicity. Using 3,4‐(1,3‐propylenedioxy)type (ProDOT) derivative F4‐BnDOT, the formation of densely packed nanofibers was demonstrated, and these are not a result of the presence of trace water. In this case, the surfaces are even more hydrophobic than for PheDOT‐based polymers, displaying extremely high apparent water contact angles (θw=138–144°) and strong water adhesion. Such surfaces from electropolymerized conducting polymers could be used in a number of technological applications, e.g. self‐cleaning surfaces, micropatterning, water harvesting and microfluid systems.
The Medication Risk of Stevens–Johnson Syndrome and Toxic Epidermal Necrolysis in Asians: The Major Drug Causality and Comparison With the US FDA Label
Authors: Wang Yu‐Hsin , Chen Chun‐Bing , Tassaneeyakul Wichittra , Saito Yoshiro , Aihara Michiko , Choon Siew Eng , Lee Haur Yueh , Chang Mimi Mee , Roa Francisca D. , Wu Cheng‐Wei , Zhang Jing , Nakkam Nontaya , Konyoung Parinya , Okamoto‐Uchida Yoshimi , Cheung Christina Man‐tung , Huang Jin‐wen , Ji Chao , Cheng Bo , Hui Rosaline Chung‐Yee , Chu Chia‐Yu , Chen Yi‐Ju , Wu Ching‐Ying , Hsu Chao‐Kai , Chiu Tsu‐Man , Huang Yu‐Huei , Lu Chun‐Wei , Yang Chin‐Yi , Lin Yi‐Ting , Chi Min‐Hui , Ho Hsin‐Chun , Lin Jing‐Yi , Yang Chih‐Hsun , Chang Ya‐Ching , Su Shih‐Chi , Wang Chuang Wei , Fan Wen‐Lang , Hung Shuen‐Iu , Chung Wen‐Hung ,   for the Asian Severe Cutaneous Adverse Reaction Consortium
Published: March 2018

Specific ethnic genetic backgrounds are associated with the risk of Stevens–Johnson syndrome / toxic epidermal necrolysis (SJS/TEN) especially in Asians. However, there have been no large cohort, multiple‐country epidemiological studies of medication risk related to SJS/TEN in Asian populations. Thus, we analyzed the registration databases from multiple Asian countries who were treated during 1998–2017. A total 1,028 SJS/TEN cases were identified with the algorithm of drug causality for epidermal necrolysis. Furthermore, those medications labeled by the US Food and Drug Administration (FDA) as carrying a risk of SJS/TEN were also compared with the common causes of SJS/TEN in Asian countries. Oxcarbazepine, sulfasalazine, COX‐II inhibitors, and strontium ranelate were identified as new potential causes. In addition to sulfa drugs and beta‐lactam antibiotics, quinolones were also a common cause. Only one acetaminophen‐induced SJS was identified, while several medications (e.g., oseltamivir, terbinafine, isotretinoin, and sorafenib) labeled as carrying a risk of SJS/TEN by the FDA were not found to have caused any of the cases in the Asian countries investigated in this study.
Cytochrome P450 3A Induction Predicts P‐glycoprotein Induction; Part 1: Establishing Induction Relationships Using Ascending Dose Rifampin
Authors: Lutz Justin D. , Kirby Brian J. , Wang Lu , Song Qinghua , Ling John , Massetto Benedetta , Worth Angela , Kearney Brian P. , Mathias Anita
Published: March 2018

Drug transporter and cytochrome P450 expression is regulated by shared nuclear receptors and, hence, an inducer should induce both, although the magnitude may differ. The objective of this study was to establish relative induction relationships between CYP3A and drug transporters (P‐glycoprotein (P‐gp), organic anion transporting polypeptide (OATP), and breast cancer resistance protein (BCRP)) or other P450s (CYP2C9 and CYP1A2) using ascending doses of the prototypical pregnane xenobiotic receptor (PXR) agonist, rifampin, to elicit weak, moderate, and strong PXR agonism. Healthy subjects received dabigatran etexilate, pravastatin, rosuvastatin, and a midazolam/tolbutamide/caffeine cocktail before and after rifampin 2, 10, 75, or 600 mg q.d. Unlike CYP3A, only moderate induction of P‐gp, OATP, and CYP2C9 was observed and dose‐dependent induction of P‐gp, OATP, and CYP2C9 was always one drug–drug interaction category lower than observed for CYP3A, even when correcting for probe drug sensitivity. Data from this study establish proof‐of‐concept that P450 induction data can be leveraged to inform on the effect on transporters.
Morphology and Growth Mechanism Study of Lithium Carbonate Synthesized by Reactive Crystallization
Authors: Duan Shaojun , Sun Yuzhu , Song Xingfu , Yu Jianguo
Published: March 2018

In the reactive crystallization of lithium carbonate, molecular dynamics simulations are performed for crystal faces of lithium carbonate in contact with sodium chloride‐water molecules. A modified attachment energy model, accounting for the Connolly surface, spacing between crystal faces and solvent molecules, is applied to predict the morphological importance of crystal surface in solvent. From the solvent‐effected attachment energy calculations it is found that the (2 0 ‐2) and (1 1 ‐1) faces become more morphologically important compared with those in vacuum, while the growth rates of (0 0 2) and (1 1 0) faces become quicker, and their area of crystal faces decreases gradually. The observed growth morphology and X‐ray powder diffraction patterns are in accordance with the predicted morphology derived from the modified AE model.
Integrating species traits into species pools
Authors: Spasojevic Marko J. , Catano Christopher P. , LaManna Joseph A. , Myers Jonathan A.
Published: March 2018

Despite decades of research on the species‐pool concept and the recent explosion of interest in trait‐based frameworks in ecology and biogeography, surprisingly little is known about how spatial and temporal changes in species‐pool functional diversity (SPFD) influence biodiversity and the processes underlying community assembly. Current trait‐based frameworks focus primarily on community assembly from a static regional species pool, without considering how spatial or temporal variation in SPFD alters the relative importance of deterministic and stochastic assembly processes. Likewise, species‐pool concepts primarily focus on how the number of species in the species pool influences local biodiversity. However, species pools with similar richness can vary substantially in functional‐trait diversity, which can strongly influence community assembly and biodiversity responses to environmental change. Here, we integrate recent advances in community ecology, trait‐based ecology, and biogeography to provide a more comprehensive framework that explicitly considers how variation in SPFD, among regions and within regions through time, influences the relative importance of community assembly processes and patterns of biodiversity. First, we provide a brief overview of the primary ecological and evolutionary processes that create differences in SPFD among regions and within regions through time. We then illustrate how SPFD may influence fundamental processes of local community assembly (dispersal, ecological drift, niche selection). Higher SPFD may increase the relative importance of deterministic community assembly when greater functional diversity in the species pool increases niche selection across environmental gradients. In contrast, lower SPFD may increase the relative importance of stochastic community assembly when high functional redundancy in the species pool increases the influence of dispersal history or ecological drift. Next, we outline experimental and observational approaches for testing the influence of SPFD on assembly processes and biodiversity. Finally, we highlight applications of this framework for restoration and conservation. This species‐pool functional diversity framework has the potential to advance our understanding of how local‐ and regional‐scale processes jointly influence patterns of biodiversity across biogeographic regions, changes in biodiversity within regions over time, and restoration outcomes and conservation efforts in ecosystems altered by environmental change.
An Amperometric Glucose Biosensor Based on Poly (Pyrrole‐2‐Carboxylic Acid)/Glucose Oxidase Biocomposite
Authors: Kausaite‐Minkstimiene Asta , Glumbokaite Laura , Ramanaviciene Almira , Dauksaite Elena , Ramanavicius Arunas
Published: March 2018

A newly developed amperometric glucose biosensor based on graphite rod (GR) working electrode modified with biocomposite consisting of poly (pyrrole‐2‐carboxylic acid) (PCPy) particles and enzyme glucose oxidase (GOx) was investigated. The PCPy particles were synthesized by chemical oxidative polymerization technique using H2O2 as initiator of polymerization reaction and modified covalently with the GOx (PCPy‐GOx) after activation of carboxyl groups located on the particles surface with a mixture of N‐(3‐dimethylaminopropyl)‐N′‐ethylcarbodiimide hydrochloride (EDC) and N‐hydroxysuccinimide (NHS). Then the PCPy‐GOx biocomposite was dispersed in a buffer solution containing a certain amount of bovine serum albumin (BSA). The resulting biocomposite suspension was adsorbed the on GR electrode surface with subsequent solvent airing and chemical cross‐linking of the proteins with glutaraldehyde vapour (GR/PCPy‐GOx). It was determined that the current response of the GR/PCPy‐GOx electrodes to glucose measured at +300 mV vs Cl reference electrode was influenced by the duration of the PCPy particles synthesis, pH of the GOx solution used for the PCPy particles modification and the amount of immobilized PCPy‐GOx biocomposite. An optimal pH of buffer solution for operation of the biosensor was found to be 8.0. Detection limit was determined as 0.039 mmol L−1 according signal to noise ratio (S/N: 3). The proposed glucose biosensor was tested in human serum samples.
Facilitation of kindling epileptogenesis by chronic stress may be mediated by intestinal microbiome
Authors: Medel‐Matus Jesús‐Servando , Shin Don , Dorfman Edward , Sankar Raman , Mazarati Andrey
Published: March 2018

There has been growing interest in the role of intestinal microbiome in brain disorders. We examined whether dysbiosis can predispose to epilepsy. The study was performed in female and male Sprague‐Dawley rats. To induce dysbiosis, the rats were subjected to chronic restraint stress (two 2‐h long sessions per day, over 2 weeks). Cecal content from stressed and sham‐stressed donors was transplanted via oral gavage to recipients, in which commensal microbiota had been depleted by the antibiotics. The study included the following groups: (1) Sham stress, no microbiota transplant; (2) Stress, no microbiota transplant; (3) Sham‐stressed recipients transplanted with microbiota from sham‐stressed donors; (4) Stressed recipients transplanted with microbiota from sham‐stressed donors; (5) Sham‐stressed recipients transplanted with microbiota from stressed donors; and (6) Stressed recipients transplanted with microbiota from stressed donors. After microbiota transplant, all animals were subjected to kindling of the basolateral amygdala. Both chronic stress and microbiome transplanted from stressed to sham‐stressed subjects accelerated the progression and prolonged the duration of kindled seizures. Microbiome from sham‐stressed animals transplanted to chronically stressed rats, counteracted proepileptic effects of restraint stress. These findings directly implicate perturbations in the gut microbiome, particularly those associated with chronic stress, in the increased susceptibility to epilepsy.
Sulfur trioxide formation/emissions in coal‐fired air‐ and oxy‐fuel combustion processes: a review
Authors: Sarbassov Yerbol , Duan Lunbo , Manovic Vasilije , Anthony Edward J.
Published: March 2018

In oxy‐fuel combustion, fuel is burned using oxygen together with recycled flue gas, which is needed to control the combustion temperature. This leads to higher concentrations of sulfur dioxide and sulfur trioxide in the recycled gas, which can result in the formation of sulfuric acid and enhanced corrosion. Current experimental data on SO3 formation, reaction mechanisms, and mathematical modelling have indicated significant differences in SO3 formation between air‐ and oxy‐fuel combustion for both the wet and dry flue gas recycle options. This paper provides an extensive review of sulfur trioxide formation in air‐ and oxy‐fuel combustion environments, with an emphasis on coal‐fired systems. The first part summarizes recent findings on oxy‐fuel combustion experiments, as they affect sulfur trioxide formation. In the second part, the review focuses on sulfur trioxide formation mechanisms, and the influence of catalysis on sulfur trioxide formation. Finally, the current methods for measuring sulfur trioxide concentration are also reviewed along with the major difficulties associated with those measurements using data available from both bench‐ and pilot‐scale units. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd.
Analysis of circulating tumor DNA does not improve the clinical management of patients with locally advanced and metastatic papillary thyroid carcinoma
Authors: Condello Vincenzo , Macerola Elisabetta , Ugolini Clara , De Napoli Luigi , Romei Cristina , Materazzi Gabriele , Elisei Rossella , Basolo Fulvio
Published: March 2018

Background

Circulating cell‐free tumor DNA (ctDNA) in plasma is a promising noninvasive instrument for cancer monitoring. Detection of BRAFV600E on ctDNA of patients with papillary thyroid carcinoma (PTC) may represent an indicator of tumor aggressiveness and progression.

Methods

Eighty‐three plasma samples were collected from 70 patients with thyroid nodules undergoing surgery and from 13 patients with PTC causing distant metastases. A total of 59 PTCs from both groups were evaluated for BRAF mutation on tumor tissue and on ctDNA from plasma samples by real‐time polymerase chain reaction (PCR) and digital PCR.

Results

Of 59 PTCs, 22 were BRAFV600E mutated (37.3%). The corresponding ctDNA was negative by using both techniques.

Conclusion

Although highly sensitive techniques were used, in our study, circulating BRAFV600E alleles were never detected in the plasma of patients with PTC; therefore, our results raise the question about the clinical usefulness of BRAFV600E analysis on ctDNA of patients with PTC.
In vitroandin vivoperformance of methacrylated gellan gum hydrogel formulations for cartilage repair*
Authors: Vilela Carlos A. , Correia Cristina , da Silva Morais Alain , Santos Tírcia C. , Gertrudes Ana C. , Moreira Elsa S. , Frias Ana M. , Learmonth David A. , Oliveira Pedro , Oliveira Joaquim M. , Sousa Rui A. , Espregueira‐Mendes João D. , Reis Rui L.
Published: March 2018

Methacrylated gellan gum (GGMA) formulation is proposed as a second‐generation hydrogel for controlled delivery of cartilage‐forming cells into focal chondral lesions, allowing immediatein situretention of cells and 3D filling of lesion volume, such approach deemed compatible with an arthroscopic procedure. Formulation optimization was carried outin vitrousing chondrocytes and adipose mesenchymal stromal/stem cells (ASCs). A proof‐of‐conceptin vivostudy was conducted using a rabbit model with induced chondral lesions. Outcomes were compared with microfracture or non‐treated control. Three grading scores were used to evaluate tissue repair after 8 weeks by macroscopic, histological and immunohistochemical analysis. Intense collagen type II and low collagen type I gene and protein expression were achievedin vitroby the ASC + GGMA formulation, in light with development of healthy chondral tissue.In vivo, this formulation promoted significantly superiorde novocartilage formation compared with the non‐treated group. Maintenance of chondral height and integration with native tissue was further accomplished. The physicochemical properties of the proposed GGMA hydrogel exhibited highly favorable characteristics and biological performance bothin vitroandin vivo, positioning itself as an attractive xeno‐free biomaterial to be used with chondrogenic cells for a cost‐effective treatment of focal chondral lesions. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 106A: 1987–1996, 2018
Enormous expansion of the chemosensory gene repertoire in the omnivorous German cockroach Blattella germanica
Authors: Robertson Hugh M. , Baits Rachel L. , Walden Kimberly K.O. , Wada‐Katsumata Ayako , Schal Coby
Published: March 2018

The acquisition of genome sequences from a wide range of insects and other arthropods has revealed a broad positive correlation between the complexity of their chemical ecology and the size of their chemosensory gene repertoire. The German cockroach Blattella germanica is an extreme omnivore and has the largest chemosensory gene repertoire known for an arthropod, exceeding even the highly polyphagous spider mite Tetranychus urticae. While the Odorant Receptor family is not particularly large, with 123 genes potentially encoding 134 receptors (105 intact), the Gustatory Receptor family is greatly expanded to 431 genes potentially encoding 545 receptors (483 intact), the largest known for insects and second only to the spider mite. The Ionotropic Receptor family of olfactory and gustatory receptors is vastly expanded to at least 897 genes (604 intact), the largest size known in arthropods, far surpassing the 150 known from the dampwood termite Zootermopsis nevadensis. Commensurately, the Odorant Binding Protein family is expanded to the largest known for insects at 109 genes (all intact). Comparison with the far more specialized, but phylogenetically related termite, within the Dictyoptera, reveals considerable gene losses from the termite, and massive species‐specific gene expansions in the cockroach. The cockroach has lost function of 11%–41% of these three chemoreceptor gene families to pseudogenization, and most of these are young events, implying rapid turnover of genes along with these major expansions, presumably in response to changes in its chemical ecology.
Compact see‐through near‐eye display with depth adaption
Authors: Lee Yun‐Han , Tan Guanjun , Yin Kun , Zhan Tao , Wu Shin‐Tson
Published: March 2018

Based on the recent development of Pancharatnam–Berry deflectors and lenses, we propose a compact and lightweight near‐eye display system with depth adaption. The compact design results from the polarization selectivity of Pancharatnam–Berry deflector waveguide coupler, and the fast‐switching Pancharatnam–Berry lenses can be exploited for generating correct light fields.
Determination of organophosphate flame retardants in soil and fish using ultrasound‐assisted extraction, solid‐phase clean‐up, and liquid chromatography with tandem mass spectrometry
Authors: Lorenzo María , Campo Julián , Picó Yolanda
Published: March 2018

A solid–liquid extraction method in combination with high‐performance liquid chromatography and tandem mass spectrometry was developed and optimized for extraction and analysis of organophosphorus flame retardants in soil and fish. Methanol was chosen as the optimum extraction solvent, not only in terms of extraction efficiency, but also for its broader analyte coverage. The subsequent clean‐up by solid‐phase extraction is required to eliminate matrix coextractives and reduce matrix effects. Recoveries of the optimized method were 50–121% for soil and 47–123% for biota, both with high precision (RSDs <12% in soil and <23% in biota). The method limits of detection ranged from 0.06 to 0.20 ng/g dry weight and between 0.02 and 0.30 ng/g wet weight for soil and biota samples, respectively. However, samples with a high lipid content produce several problems as solid‐phase extraction cartridge clogging that increase variability and analysis time. The method was successfully applied for the determination of organophosphorus flame retardants in soil and fish from L'Albufera Natural Park (Valencia, Spain). Target compounds were detected in all soil and fish samples with values varying from 13.8 to 89.7 ng/g dry weight and from 3.3 to 53.0 ng/g wet weight, respectively.
In Vivo Biofilm Formation, Gram‐Negative Infections and TAS2R38 Polymorphisms in CRSw NP Patients
Authors: Cantone Elena , Negri Rossella , Roscetto Emanuela , Grassia Rossella , Catania Maria Rosaria , Capasso Pasquale , Maffei Marianna , Soriano Amata Amy , Leone Carlo Antonio , Iengo Maurizio , Greco Luigi
Published: March 2018

Objectives

Among the predisposing factors implicated in the immune response to airway bacterial infections, genetic variations of the bitter taste receptor TAS2R38, which is expressed in the cilia of the human sinonasal epithelial cells, seem to be associated with susceptibility to chronic rhinosinusitis (CRS) and in vitro biofilm formation. Polymorphisms in TAS2R38 generate two common haplotypes: the nonfunctional AVI (Alanine, Valine, Isoleucine) and the functional PAV (Proline, Alanine, Valine) alleles, with the latter protecting against gram‐negative sinonasal infections.

The aim of this study is to investigate for the first time the relevance of TAS2R38 genetic variants in the susceptibility to bacterial infections associated with in vivo biofilm formation in chronic rhinosinusitis with nasal polyps (CRSwNP) patients.

Study Design

A prospective study on 100 adult patients undergoing functional endoscopic sinus surgery (FESS) for CRSwNP.

Methods

Propylthiouracile (PROP) testing and TAS2R38 genotyping were applied to characterize patients for receptor functionality. Sinonasal mucosa samples were processed for microbiological examination and biofilm detection.

Results

The nonfunctional genotype is more frequent among CRS patients than in the general population (25% vs. 18.4%, P = 0.034). Airway gram‐negative infections are primarily associated with the AVI haplotype (88.9% vs. 11.1% PAV/PAV‐functional genotype, P = 0.023). Biofilm formation is prevalent in CRS patients with the AVI nontaster phenotype (62.5% vs. 33.3% PAV taster or supertaster phenotype, P = 0.05).

Conclusion

Our findings confirm an inverse correlation between TAS2R38 functionality and gram‐negative infections in Italian patients with CRSwNP. In addition, for the first time we demonstrated a relationship between in vivo microbial biofilm and TAS2R38 receptor variants.

Level of Evidence

2b. Laryngoscope, 128:E339–E345, 2018
Carbon sink and source dynamics of a eutrophic deep lake using multiple flux observations over multiple years
Authors: Reed David E. , Dugan Hilary A. , Flannery Amelia L. , Desai Ankur R.
Published: March 2018

Recent research has shown lakes play an outsized role in carbon cycling, but long‐term continuous observations and analysis of carbon dynamics are rare, limiting our understanding of interannual variation, important timescales of variability, and drivers of efflux. Therefore, we examined lake‐atmosphere carbon fluxes with the goal of quantifying annual trends and patterns in lake carbon efflux and identifying important timescales. To do so, this study integrated 6 yr of eddy‐covariance flux tower observations of lake‐atmosphere fluxes with high‐frequency observations of in‐lake temperature, dissolved oxygen, and partial pressure of CO2, for a eutrophic lake in Wisconsin, U.S.A. While growing season fluxes are variable and switch between source and sink, annual net carbon fluxes show the lake acts as an annual sink of carbon, with the magnitude depending on climate, along with the timing and strength of fall turnover, with half of the total annual carbon uptake happening in October and November.
Molecular Dynamics Simulations of Cross‐Linked Phenolic Resins Using a United‐Atom Model
Authors: Izumi Atsushi , Shudo Yasuyuki , Hagita Katsumi , Shibayama Mitsuhiro
Published: March 2018

A new molecular modeling algorithm for conducting large‐scale molecular dynamics simulation studies of cross‐linked phenolic resins is developed using a united‐atom model. A phenol–formaldehyde polycondensation system is simulated by a pseudoreaction algorithm taking into consideration (i) the difference in the experimental reaction rate constants at ortho and para positions of phenolic units and (ii) the geometry of the reactants. To avoid formation of locally strained cross‐linked structures that can be generated in a typical cutoff‐distance‐based reaction scheme, a geometrical judgment constraint is applied in the reaction procedure. With this algorithm, cross‐linked network structures of phenolic resins with a maximum conversion (α) of 0.90 are obtained from 10 000 phenols. The density and the tensile modulus of the structure with α of 0.90 at 300 K are 1.2 g cm−3 and 5.4 GPa, respectively. This is in good agreement with experimental values. The strain‐free, highly cross‐linked network structures of phenolic resins exhibit a higher density and tensile modulus compared with structures generated in the absence of the geometrical cutoff. This result demonstrates that the geometrical judgment constraint can effectively avoid the formation of distorted and strained local structures and is necessary for accurate modeling of highly cross‐linked phenolic resins.
Standardized Competencies for Parenteral Nutrition Administration: The ASPEN Model
Authors: Guenter Peggi , Worthington Patricia , Ayers Phil , Boullata Joseph I. , Gura Kathleen M. , Marshall Neil , Holcombe Beverly , Richardson Denise S. ,   for the Parenteral Nutrition Safety Committee, American Society for Parenteral and Enteral Nutrition
Published: March 2018

Parenteral nutrition (PN) is a highly complex medication and its provision can be prone to a variety of errors. Safe administration of this therapy requires that the competency of clinicians, particularly nurses, be demonstrated using a standardized process. In this document, a standardized model for PN administration competency is proposed based on a competency framework, the ASPEN‐published interdisciplinary core competencies, discipline‐specific standards of practice, safe practice recommendations, and clinical guidelines. ASPEN recognizes that all healthcare institutions may not currently meet the aspirational goals of this document. This framework will guide institutions and agencies in developing tools and procedures and maintaining competency of staff members around safe PN administration. The ASPEN Board of Directors has approved this document.