bluuebunny/crossref_metadata_2025_split huggingface dataset:
When convergent syntheses of graft block copolymers diverge: The treachery of chemical images
Authors: Maher Michael J. , Schibur Haley J. , Bates Frank S. 
Published: June 2017

ABSTRACTA synthetic strategy to produce graft block copolymers (BCPs) with controlled grafting densities using both grafting‐through and grafting‐from methods is reported. For grafting‐through, poly(4‐methylcaprolactone‐block‐d,l‐lactide) macromonomers were synthesized with a polymerizable maleimide end group. These macromonomers were copolymerized using reversible addition‐fragmentation chain‐transfer (RAFT) polymerization with styrene and various amounts of N‐ethylmaleimide to control grafting density. A kinetic study showed that the macromonomers (>10 kDa) polymerized at the same rate as N‐ethylmaleimide under RAFT conditions, suggesting that uniform grafting density could be achieved. However, incorporating more than 5–10 grafts per chain was found to be challenging and potentially limited by kinetics. A higher number of grafts per chain with controlled densities was achieved using a grafting‐from technique. Macroinitiators of styrene, N‐ethylmaleimide, and N‐(2‐hydroxyethyl)maleimide were copolymerized with a fixed density of grafting sites. Subsequently, BCPs were grown off of the macroinitiator using ring‐opening transesterification polymerization (ROTEP). © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 3097–3104
Multi‐functional poly(vinylidene fluoride) graft copolymers
Authors: Kuila Atanu , Chatterjee Dhruba P. , Maity Nabasmita , Nandi Arun K. 
Published: June 2017

ABSTRACTPoly(vinylidene fluoride) (PVDF) is known for its biocompatibility, piezo and pyro‐electricity, and membrane forming capability. In order to tune its properties, modification through grafting from approach by atom transfer radical polymerization (ATRP) is preferred. Hydrophilic polymers like poly(ethylene glycol) methacrylate, poly(methacrylic acid), poly(dimethylaminoethyl methacrylate) (PDMAEMA), and so forth have been anchored from PVDF backbone in order to make permeation of water molecules through the PVDF based membranes. The successful solution grafting of PDMAEMA chains from PVDF backbone by ATRP resulted appreciable graft conversion and hence its bulk properties showed a significant change. This water soluble graft copolymer shows incredible mechanical and adhesive properties. PVDF‐g‐poly(n‐butyl methacrylate) generates honey‐comb porous film using “breath figure” technique. Recently, they have used further improvement of grafting where model ATRP initiators are anchored using atom transfer radical coupling and used them as macroinitiators for grafting. This approach simplified the grafting reactions even more and enabled successful grafting of a large number of monomers under relatively less drastic conditions with appreciable conversion compared with the previous conditions. This technique has resulted interesting solution properties, ion and electron conducting PVDF, antifouling membrane, super glue and super tough materials, capable of generating metal nanoparticles tunable with pH and temperature. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 2569–2584
Phase separation dynamics of a poly(vinyl methyl ether)/polystyrene (PVME/PS) blend studied by ultrafast differential scanning calorimetry
Authors: Luo Shaochuan , Wei Lai , Jiang Jing , Sha Ye , Xue Gi , Wang Xiaoliang , Zhou Dongshan 
Published: June 2017

ABSTRACTIn this work, ultrafast differential scanning calorimetry (UFDSC) is used to study the dynamics of phase separation. Taking poly(vinyl methyl ether)/polystyrene (PVME/PS) blend as the example, we firstly obtained the phase diagram that has lower critical solution temperature (LCST), together with the glass transition temperature (Tg) of the homogeneous blend with different composition. Then, the dynamics of the phase separation of the PVME/PS blend with a mass ratio of 7:3 was studied in the time range from milliseconds to hours, by the virtue of small time and spatial resolution that UFDSC offers. The time dependence of the glass transition temperature (Tg) of PVME‐rich phase, shows a distinct change when the annealing temperature (Ta) changes from below to above 385 K. This corresponds to the transition from the nucleation and growth (NG) mechanism to the spinodal decomposition (SD) mechanism, as was verified by morphological and rheometric investigations. For the SD mechanism, the temperature‐dependent composition evolution in PVME‐rich domain was found to follow the Williams–Landel–Ferry (WLF) laws. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017, 55, 1357–1364
Noncompetitive inhibition of human CYP2C9 in vitro by a commercial Rhodiola rosea product
Authors: Thu Ole Kristian Forstrønen , Spigset Olav , Hellum Bent 
Published: June 2017

AbstractA commercial Rhodiola rosea (R. rosea) product has previously demonstrated CYP2C9 inhibition in humans. The purpose of this study was to provide in vitro inhibitory data for this particular interaction and to classify the mechanism of the interaction. Another aim was to examine the in vitro influence of ethanol on the CYP2C9 activity. Human CYP2C9 (wild type) isolated from a baculovirus‐infected cell system was incubated with 0.8 μmol/L losartan for 20 min. Sulfaphenazole was used as a positive control. The commercial R. rosea product “Arctic Root” was used as test inhibitor. Formation of the CYP2C9‐produced losartan metabolite EXP‐3174 was determined by validated LC‐MS/MS methodology. Possible mechanism‐based (irreversible) inhibition was evaluated using time‐ and NADPH‐dependent inhibition assays. Kinetic constants (Km, Vmax, and Ki) were calculated from a Lineweaver‐Burk plot. Mode of inhibition was determined. CYP2C9 was inhibited by “Arctic Root” with an IC50 (extract concentration yielding 50% reduction in enzyme activity) of 19.2 ± 2.7 μg/mL. Inhibitor concentrations of 20 μg/mL and 40 μg/mL yielded Ki values of 16.37 μg/mL and 5.59 μg/mL, respectively. The Lineweaver‐Burk plot showed noncompetitive inhibition mode. No time‐ or NADPH‐dependent inhibition was observed. The presence of ethanol inhibited CYP2C9 activity in a concentration‐dependent manner. In conclusion, the commercial R. rosea product “Arctic Root” demonstrated noncompetitive inhibition of CYP2C9 in vitro. Further work identifying the constituents responsible for this inhibition is needed.
A serious nightmare: psychiatric and neurologic adverse reactions to mefloquine are serious adverse reactions
Authors: Nevin Remington L. 
Published: June 2017

AbstractMefloquine (originally marketed as Lariam) is a neurotoxic quinoline derivative antimalarial drug that is known to cause serious and potentially lasting neuropsychiatric adverse reactions. Since 2013, drug regulators in several jurisdictions, including the United States, the United Kingdom, Ireland, and Canada, have required their mefloquine labels be updated to warn that when used for malaria prophylaxis the drug should be discontinued at the onset of neurologic or psychiatric symptoms. These recent changes to the international labeling serve to imply that psychiatric and neurologic reactions to mefloquine prophylaxis may be an early warning of an impending more serious reaction that may further jeopardize the patient with continued use of the drug. To prevent these more serious effects, these drug labels now warn that mefloquine should be discontinued and that patients seek immediate medical intervention to obtain an alternative antimalarial drug when psychiatric or neurologic symptoms occur. When used correctly for malaria prophylaxis as the updated labeling now directs, it is reasonable to expect that mefloquine will be discontinued, and an alternative drug substituted, in each patient who develops psychiatric or neurologic symptoms. This opinion discusses the implications of this updated labeling for the reporting of adverse reactions and for the continued use of the drug in malaria prophylaxis.
Pollen contamination in seed mixture increases the dominance of resistance to Bt maize in Spodoptera frugiperda (Lepidoptera: Noctuidae)
Authors: Yang Fei , Kerns David L , Brown Sebe , Head Graham P , Huang Fangneng 
Published: June 2017

AbstractBACKGROUNDSeed mixture, also called ‘RIB’, has been used to provide refuge populations for delaying insect resistance. Pollen contamination in RIB could result in refuge kernels of non‐Bt maize expressing variable Bt proteins. Data are lacking regarding the impact of pollen contamination on evolution of resistance for ear‐feeding insects. Here, we used Spodoptera frugiperda and Cry1F‐maize as a model to examine if pollen contamination in RIB increases the dominance of insect resistance.RESULTSPollen contamination caused >66% refuge kernels in 5:95% (non‐Bt:Bt) and 20:80% RIBs to express Cry1F protein. Survival at adult stage on pure non‐Bt ears was similar (54.4–63.3%) among Cry1F‐susceptible (SS), Cry1F‐resistant (RR) and Cry1F‐heterozygous (RS) S. frugiperda. On Bt ears, survival was similar between SS and RS (0.0–1.7%), but it was significantly less than that of RR (59.2%). On the two RIB refuge ears, survival at adult stage for RS (42.3% in 5:95% RIB; 50.0% in 20:80% RIB) was significantly higher than for SS (8.7% in 5:95% RIB; 10.0% in 20:80% RIB).CONCLUSIONThe results suggest that pollen contamination in RIB could increase the dominance of resistance for ear‐feeding insects by significantly reducing susceptible refuge populations and supporting higher survival of heterozygotes relative to homozygous susceptible insects. © 2017 Society of Chemical Industry
A quantitative assay for Amaranthus palmeri identification
Authors: Murphy Brent P , Plewa Diane E , Phillippi Elizabeth , Bissonnette Suzanne M , Tranel Patrick J 
Published: June 2017

AbstractBACKGROUNDAmaranthus palmeri recently has been brought into the Midwestern USA as a contaminant in Conservation Reserve Program seeding mixes. Rapid species screening is required to mitigate the risk of continued species movement.RESULTSMarkers were developed for A. palmeri‐specific nucleotide polymorphisms in the internal transcribed spacer of the ribosomal coding region. A quantitative polymerase chain reaction (qPCR) assay successfully identified A. palmeri from single‐plant samples, simulated mixed‐plant samples and seed mixtures.CONCLUSIONA qPCR assay for distinguishing A. palmeri from 12 other Amaranthus spp. was developed and validated. The assay can consistently detect a single A. palmeri seed when present in a pool of 100 total Amaranthus spp. seeds. © 2017 Society of Chemical Industry
Mesenchymal Stem Cells Stabilize Axonal Transports for Autophagic Clearance of α-Synuclein in Parkinsonian Models
Authors: Oh Se Hee , Lee Seok Cheol , Kim Dong Yeol , Kim Ha Na , Shin Jin Young , Ye Byoung Seok , Lee Phil Hyu 
Published: June 2017

Abstract
Genome-wide association studies have identified two loci, SNCA and the microtubule (MT)-associated protein tau, as common risk factors for Parkinson’s disease (PD). Specifically, α-synuclein directly destabilizes MT via tau phosphorylation and induces axonal transport deficits that are the primary events leading to an abnormal accumulation of α-synuclein that causes nigral dopaminergic cell loss. In this study, we demonstrated that mesenchymal stem cells (MSCs) could modulate cytoskeletal networks and trafficking to exert neuroprotective properties in wild-type or A53T α-synuclein overexpressing cells and mice. Moreover, we found that eukaryotic elongation factor 1A-2, a soluble factor derived from MSCs, stabilized MT assembly by decreasing calcium/calmodulin-dependent tau phosphorylation and induced autophagolysosome fusion, which was accompanied by an increase in the axonal motor proteins and increased neuronal survival. Our data suggest that MSCs have beneficial effects on axonal transports via MT stability by controlling α-synuclein-induced tau phosphorylation, indicating that MSCs may exert a protective role in the early stages of axonal transport defects in α-synucleinopathies.
The divide–expand–consolidate coupled cluster scheme
Authors: Kjærgaard Thomas , Baudin Pablo , Bykov Dmytro , Kristensen Kasper , Jørgensen Poul 
Published: June 2017

The Divide‐Expand‐Consolidate (DEC) scheme is a linear‐scaling and massively parallel framework for high accuracy coupled cluster (CC) calculations on large molecular systems. It is designed as a black‐box method, which ensures error control in the correlation energy and molecular properties. DEC is combined with a massively parallel implementation to fully utilize modern manycore architectures providing a fast time to solution. The implementation ensures performance portability and will straightforwardly benefit from new hardware developments. The DEC scheme has been applied to several levels of CC theory and extended the range of application of those methods. WIREs Comput Mol Sci 2017, 7:e1319. doi: 10.1002/wcms.1319This article is categorized under:

Electronic Structure Theory > Ab Initio Electronic Structure Methods
Software > Quantum Chemistry
Theory and applications of surface micro‐kinetics in the rational design of catalysts using density functional theory calculations
Authors: Mao Yu , Wang Hai‐Feng , Hu P. 
Published: June 2017

Rational design of catalysts has long been an important and challenging goal in heterogeneous catalysis. To achieve this target, density functional theory (DFT) calculations and micro‐kinetics are two of the cornerstones. The DFT calculations make it possible to obtain microscopic properties of catalytic systems by computational simulations, and the micro‐kinetic modeling of surface reactions provides a tool to link quantum‐chemical data with macroscopic behaviors of the systems. In this review, we focus on the basic concepts and latest theoretical progresses of strategies for the catalysts design, including Brønsted−Evans−Polanyi relation, the volcano curve, and the activity window. Among the progresses, the theory of chemical potential kinetics in heterogeneous catalysis and its implications on catalysts design, which was developed by our group, are described in detail with extensive derivations. Furthermore, the applications of this method on screening low‐cost counter electrodes for dye‐sensitized solar cells are presented with experimental evidences. WIREs Comput Mol Sci 2017, 7:e1321. doi: 10.1002/wcms.1321This article is categorized under:

Structure and Mechanism > Reaction Mechanisms and Catalysis
Theoretical and Physical Chemistry > Reaction Dynamics and Kinetics
A New Type of Dispersant [Sodium Salt of Styrene–Methacrylic Acid Copolymer (SSMA)/Montmorillonite (MMT) Nanocomposite] for Pesticide Water Dispersible Granules
Authors: Liu Zequan , Cheng Shuangyuan , Zhang Qiang 
Published: June 2017

AbstractA new type of dispersant [sodium salt of styrene–methacrylic acid copolymer (SSMA)/montmorillonite (MMT) nanocomposite] with different content of the MMT was synthesized through in situ solution free radical copolymerization. X‐ray diffraction measurements and electron microscopy observations prove that SSMA molecules can enter the interlayer space of MMT and form an intercalated structure. There are both fully intercalated and partly intercalated structures in the nanocomposites, which are related to the loading content of MMT. Transmission and scanning electron microscopy images indicate that the exfoliation degree of MMT in the nanocomposites decrease with increasing MMT content. Infrared spectroscopy (FTIR) analysis shows that there are hydrogen‐bonding interactions between carboxyl groups of SSMA and hydroxyl groups of MMT. Atrazine water dispersible granules were prepared by using SSMA/MMT nanocomposite as dispersant and their suspensibility in aqueous solution was determined to evaluate the dispersion properties of the nanocomposite. The results show that the addition of MMT can not only increase the steric effect of the SSMA to improve its dispersion properties, but also reduce the production cost of SSMA. The optimum loading content of MMT is 10 wt%.
Antioxidant Efficacy of a New Synergistic, Multicomponent Formulation for Fish Oil Omega‐3 Concentrates
Authors: Moen Vidar , Stoknes Iren , Breivik Harald 
Published: June 2017

AbstractToday, tocopherols serve as the industrial standard antioxidant protection for fish oil omega‐3 concentrates. Synergistic interactions between tocopherols, ascorbyl palmitate and natural polyphenols extracted from plant sources have been demonstrated in model systems. The main goal for this work was to develop a mix of such antioxidants with improved efficacy in the context of preserving industrial marine oil concentrates. The antioxidant formulation comprises tocopherols, ascorbyl palmitate, rosemary extract and green tea catechins. Part of the scope was to develop a method for dissolving green tea catechins in oil. The key element of the method is to introduce green tea on a lipid insoluble carrier when dissolving the extract in the oil, and thereafter remove the carrier by filtration. The antioxidant mix was tested against tocopherol in omega‐3 concentrates of minimum 300 mg/g eicosapentaenoic acid (EPA) plus 200 mg/g docosahexaenoic acid (DHA) in the form of triacylglycerides and ethyl esters. The mix was superior compared to tocopherols in suppressing both primary‐ and secondary oxidation. Weight increase measurements of oil in contact with air correlated well with standard oxidation tests within individual samples and the method was considered simple and useful for monitoring oxidation in omega‐3 concentrates.
Job Displacement and First Birth Over the Business Cycle
Authors: Hofmann Barbara , Kreyenfeld Michaela , Uhlendorff Arne 
Published: June 2017

AbstractIn this article, we investigate the impact of job displacement on women’s first-birth rates as well as the variation in this effect over the business cycle. We use mass layoffs to estimate the causal effects of involuntary job loss on fertility in the short and medium term, up to five years after displacement. Our analysis is based on rich administrative data from Germany, with an observation period spanning more than 20 years. We apply inverse probability weighting (IPW) to flexibly control for the observed differences between women who were and were not displaced. To account for the differences in the composition of the women who were displaced in a downturn and the women who were displaced in an upswing, we use a double weighting estimator. Results show that the extent to which job displacement has adverse effects on fertility depends on the business cycle. The first-birth rates were much lower for women who were displaced in an economic downturn than for those who lost a job in an economic upturn. This result cannot be explained by changes in the observed characteristics of the displaced women over the business cycle.
Basal topographic controls on the stability of the West Antarctic ice sheet: lessons from Foundation Ice Stream
Authors: Huybers Kathleen , Roe Gerard , Conway Howard 
Published: June 2017

ABSTRACT
Using observations of basal topography, ice thickness and modern accumulation rates, we use theory and a dynamic flowline model to examine the sensitivity of Antarctica's Foundation Ice Stream to changes in sea level, accumulation and buttressing at the grounding line. Our sensitivity studies demonstrate that the steep, upward-sloping basal topography inland from the grounding line serves to stabilize retreat of the ice stream, while the upward-sloping submarine topography downstream from the grounding line creates the potential for significant advance under conditions of modest sea-level lowering and/or increased accumulation rate. Extrapolating from Foundation Ice Stream, many nearby Weddell Sea sector ice streams are in a similar configuration, suggesting that the historical and projected responses of this sector's ice streams may contrast with those in the Amundsen or Ross Sea sectors. This work reaffirms that the greatest concerns for rapid West Antarctic Ice Sheet (WAIS) retreat are locations of reverse slopes, muted basal topography and limited lateral support.
Epidemiological Effectiveness and Cost of a Fungal Meningitis Outbreak Response in New River Valley, Virginia: Local Health Department and Clinical Perspectives
Authors: Dorratoltaj Nargesalsadat , O’Dell Margaret L. , Bordwine Paige , Kerkering Thomas M. , Redican Kerry J. , Abbas Kaja M. 
Published: June 2017

AbstractObjectiveWe evaluated the effectiveness and cost of a fungal meningitis outbreak response in the New River Valley of Virginia during 2012-2013 from the perspective of the local public health department and clinical facilities. The fungal meningitis outbreak affected 23 states in the United States with 751 cases and 64 deaths in 20 states; there were 56 cases and 5 deaths in Virginia.MethodsWe conducted a partial economic evaluation of the fungal meningitis outbreak response in New River Valley. We collected costs associated with the local health department and clinical facilities in the outbreak response and estimated the epidemiological effectiveness by using disability-adjusted life years (DALYs) averted.ResultsWe estimated the epidemiological effectiveness of this outbreak response to be 153 DALYs averted among the patients, and the costs incurred by the local health department and clinical facilities to be $30,413 and $39,580, respectively.ConclusionsWe estimated the incremental cost-effectiveness ratio of $198 per DALY averted and $258 per DALY averted from the local health department and clinical perspectives, respectively, thereby assisting in impact evaluation of the outbreak response by the local health department and clinical facilities. (Disaster Med Public Health Preparedness. 2018;12:38–46)
Bacterial Infections in Neonates Following Mupirocin-Based MRSA Decolonization: A Multicenter Cohort Study
Authors: Pierce Rebecca , Bryant Kristina , Elward Alexis , Lessler Justin , Milstone Aaron M. 
Published: June 2017

OBJECTIVETo characterize the risk of infection after MRSA decolonization with intranasal mupirocin.DESIGNMulticenter, retrospective cohort study.SETTINGTertiary care neonatal intensive care units (NICUs) from 3 urban hospitals in the United States ranging in size from 45 to 100 beds.METHODSMRSA-colonized neonates were identified from NICU admissions occurring from January 2007 to December 2014, during which a targeted decolonization strategy was used for MRSA control. In 2 time-to-event analyses, MRSA-colonized neonates were observed from the date of the first MRSA-positive surveillance screen until (1) the first occurrence of novel gram-positive cocci in sterile culture or discharge or (2) the first occurrence of novel gram-negative bacilli in sterile culture or discharge. Mupirocin exposure was treated as time varying.RESULTSA total of 522 MRSA-colonized neonates were identified from 16,144 neonates admitted to site NICUs. Of the MRSA-colonized neonates, 384 (74%) received mupirocin. Average time from positive culture to mupirocin treatment was 3.5 days (standard deviation, 7.2 days). The adjusted hazard of gram-positive cocci infection was 64% lower among mupirocin-exposed versus mupirocin-unexposed neonates (hazard ratio, 0.36; 95% confidence interval [CI], 0.17–0.76), whereas the adjusted hazard ratio of gram-negative bacilli infection comparing mupirocin-exposed and -unexposed neonates was 1.05 (95% CI, 0.42–2.62).CONCLUSIONSIn this multicentered cohort of MRSA-colonized neonates, mupirocin-based decolonization treatment appeared to decrease the risk of infection with select gram-positive organisms as intended, and the treatment was not significantly associated with risk of subsequent infections with organisms not covered by mupirocin’s spectrum of activity.Infect Control Hosp Epidemiol2017;38:930–936