bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular Orbital Controlling Donor Moiety for High‐Efficiency Thermally Activated Delayed Fluorescent Emitters
Authors: Seo Jeong‐A , Gong Myoung‐Seon , Song Wook , Lee Jun Yeob
Published: February 2016

A new donor moiety, 7,7,13,13‐tetramethyl‐7,13‐dihydro‐5H‐indeno[1,2‐b]acridine (IAc), was developed to control the highest occupied molecular orbital (HOMO) dispersion of thermally activated delayed fluorescent (TADF) emitters. The IAc unit expanded the HOMO dispersion of the emitters and increased the quantum efficiency of the TADF devices up to 20.9 %.
Polymer/Graphene Hybrids for Advanced Energy‐Conversion and ‐Storage Materials
Authors: Cui Linfan , Gao Jian , Xu Tong , Zhao Yang , Qu Liangti
Published: February 2016

Polymer/graphene‐based materials with interesting physical and chemical properties have been attracting considerable attention and have been shown to have great potential as active materials in the field of energy conversion and storage. In this review, we focus on recent significant advances in the fabrication and application of polymer/graphene hybrids as electrocatalysts and electrode materials. Synthetic strategies and application of these materials in energy conversion and storage are presented, particularly in devices such as fuel cells, actuators, and supercapacitors, accompanied with a discussion of the challenges and research directions necessary for the future development of polymer/graphene hybrids.
Prevalence and trend of neural tube defects in five counties in Shanxi province of Northern China, 2000 to 2014
Authors: Liu Jufen , Zhang Le , Li Zhiwen , Jin Lei , Zhang Yali , Ye Rongwei , Liu Jianmeng , Ren Aiguo
Published: February 2016

BACKGROUND

The prevalence of neural tube defects (NTDs) in northern China is among the highest in the world. A massive folic acid supplementation program as a specific countermeasure was introduced in 2009. Examining trends in NTD prevalence may provide evidence for future intervention.

METHODS

Data for 2000 to 2014 in five counties in northern China were obtained through a population‐based birth defects surveillance system. All live births, stillbirths of over 20 gestational weeks, and pregnancy terminations because of NTDs at any gestational age were recorded. The prevalence of NTDs by gestational weeks (<28 vs. ≥28), by calendar year, and by subtype was presented.

RESULTS

From 2000 to 2014, a total of 234,225 births and 2027 cases of NTDs were recorded. The prevalence of total NTDs was extremely high during 2000 to 2004, but it began to decrease continuously thereafter, from a peak of 120.0/10,000 in 2004 to a low of 31.5/10,000 in 2014. A significant decrease (60%) was observed from 78.8/10,000 in 2009 to 31.5/10,000 in 2014, 5 years after the folic acid supplementation program was introduced. All three major subtypes, namely anencephaly, spina bifida, and encephalocele, showed a decline over this period. Although the perinatal (≥28 gestational weeks) prevalence of NTDs decreased progressively, the pre‐perinatal (<28 gestational weeks) prevalence of NTDs remained high until 2011 and then decreased.

CONCLUSION

The prevalence of NTDs remains high despite a substantial and continuous decrease over the past 15 years. To further reduce NTD risk in the population, fortification staples with folic acid should be considered. Birth Defects Research (Part A) 106:267–274, 2016. © 2016 Wiley Periodicals, Inc.
Novel COL4A1 mutation in an infant with severe dysmorphic syndrome with schizencephaly, periventricular calcifications, and cataract resembling congenital infection
Authors: Smigiel Robert , Cabala Magdalena , Jakubiak Aleksandra , Kodera Hirofumi , Sasiadek Marek J. , Matsumoto Naomichi , Sasiadek Maria M. , Saitsu Hirotomo
Published: February 2016

Background

A clinical case is described of growth retardation, severe developmental delay, facial dysmorphic features with microcephaly, as well as congenital cataract, schizencephaly, periventricular calcifications, and epilepsy.

Methods

TORCH infection was suspected, but all tests for toxoplasmosis, rubella, cytomegalovirus, and herpes simplex virus were negative for the child and her mother; however, an increased level of antibodies against parvovirus B19 was detected in the proband.

Results

Chromosomal analysis and array‐CGH showed no aberration. Target capture sequencing for COL4A1 and COL4A2 revealed a de novo COL4A1 mutation (c.2123G>T [p.Gly708Val]). The mutation occurred at a highly conserved Gly residue in the Gly‐X‐Y repeat of the collagen triple helical domain, suggesting that these mutations may alter the collagen IV α1α1α2 heterotrimers. The mutation was predicted to be damaging.

Conclusion

We suggest that COL4A1 testing should be considered in patients with schizencephaly as well as with phenotype suggesting TORCH infection without any proven etiological factors. Birth Defects Research (Part A) 106:304–307, 2016. © 2016 Wiley Periodicals, Inc.
Role of palliative radiotherapy in the management of mural cardiac metastases: who, when and how to treat? A case series of 10 patients
Authors: Fotouhi Ghiam Alireza , Dawson Laura A. , Abuzeid Wael , Rauth Sarah , Jang Raymond W. , Horlick Eric , Bezjak Andrea
Published: February 2016

Cardiac metastases (CM), although a rare manifestation of metastatic cancer, are increasing in incidence with the improved prognosis and increased longevity of many patients with cancer. This condition may be life‐threatening, especially for bulky rapidly growing tumors. Such cancer presentations may be amenable to palliative radiotherapy to improve symptoms and to prevent further cardiac function decline. Here, we report on our experience with 10 patients with mural CM who received radiotherapy (RT) to the heart with palliative intent. The radiation treatment was given in different clinical situations using different dose and fractionation, and with a variety of outcomes. Palliative RT was a reasonably effective treatment, leading to good radiographic response in five patients who were evaluable for radiologic response. The mean duration of response in responding patients was 6.3 months (range: 3–11 months). This report describing clinical dilemmas around CM radiation therapy summarizes the previous experiences with radiation in treatment of CM and may assist in the considerations of palliative treatment for these patients.
Self–Other Relations in Biodiversity Conservation in the Community: Representational Processes and Adjustment to New Actions
Authors: Mouro Carla , Castro Paula
Published: February 2016

This research explores the simultaneous role of two Self–Other relations in the elaboration of representations at the micro‐ and ontogenetic levels, assuming that it can result in acceptance and/or resistance to new laws. Drawing on the Theory of Social Representations, it concretely looks at how individuals elaborate new representations relevant for biodiversity conservation in the context of their relations with their local community (an interactional Other) and with the legal/reified sphere (an institutional Other). This is explored in two studies in Portuguese Natura 2000 sites where a conservation project calls residents to protect an at‐risk species. Study 1 shows that (i) agreement with the institutional Other (the laws) and meta‐representations of the interactional Other (the community) as approving of conservation independently help explain (at the ontogenetic level) internalisation of conservation goals and willingness to act; (ii) the same meta‐representations operating at the micro‐genetic level attenuate the negative relation between ambivalence and willingness to act. Study 2 shows that a meta‐representation of the interactional Other as showing no clear position regarding conservation increases ambivalence. Findings demonstrate the necessarily social nature of representational processes and the importance of considering them at more than one level for understanding responses to new policy/legal proposals. Copyright © 2016 John Wiley & Sons, Ltd.
Sterols and Fatty Acids of the Harmful Dinoflagellate Cochlodinium polykrikoides
Authors: Giner José‐Luis , Ceballos Harriette , Tang Ying‐Zhong , Gobler Christopher J.
Published: February 2016

Sterol and fatty acid compositions were determined for Cochlodinium polykrikoides, a toxic, bloom‐forming dinoflagellate of global significance. The major sterols were dinosterol (40% of total sterols), dihydrodinosterol (32%), and the rare 4α‐methyl Δ8(14) sterol, amphisterol (23%). A minor sterol, 4α‐methylergost‐24(28)‐enol was also detected (5.0%). The fatty acids had a high proportion of PUFAs (47%), consisting mainly of EPA (20%) and the relatively uncommon octadecapentaenoic acid (18 : 5, 22%). While unlikely to be responsible for toxicity to fish, these lipids may contribute to the deleterious effects of this alga to invertebrates.
New Acylated Flavonol Glycosides and a Phenolic Profile of Pritzelago alpina, a Forgotten Edible Alpine Plant
Authors: Corradi Elisabetta , De Mieri Maria , Cadisch Larissa , Abbet Christian , Hamburger Matthias , Potterat Olivier
Published: February 2016

Thirteen acylated flavonoid glycosides, 1–13, including eleven new congeners, 3–13, were isolated from the aerial parts of Pritzelago alpina (Brassicaceae) by a combination of column chromatography on Sephadex LH‐20, and preparative and semi‐preparative HPLC. The structures were established by extensive NMR and MS experiments in combination with acid hydrolysis and sugar analysis by GC/MS. The new compounds were shown to be kaempferol and quercetin glycosides acylated for most of them by a branched short chain fatty acid or a hydroxycinnamic acid residue on the sugar portion. As shown by a HPLC‐DAD analysis of a MeOH extract, these compounds are the main phenolic constituents in the aerial parts of the plant.
Effective percutaneous “edge‐to‐edge” mitral valve repair with mitraclip in a patient with acute post‐MI regurgitation not related to papillary muscle rupture
Authors: Tarsia Giandomenico , Smaldone Costantino , Costantino Marco F.
Published: February 2016

A 65‐year‐old woman was admitted to our institution for rest dyspnea and hypotension. EKG showed sinus tachycardia with signs of infero‐posterior STEMI. 2D‐echocardiogram showed severe left ventricular systolic dysfunction with a‐ diskynesia of the inferior and posterior walls and severe functional mitral regurgitation (MR). The patient underwent urgent coronary angiography that showed 3‐vessels disease with total occlusion of both first obtuse marginal (OM) branch of the left circumflex artery and right coronary artery (RCA) and critical stenosis of left anterior descending (LAD). Because of extremely high surgical risk, we performed a staged totally percoutaneous approach. First, we reopened the presumed culprit vessels (RCA and OM) and then, after 48 hr, we performed angioplasty of the LAD. Since revascularization provided no significant improvement in respiratory and hemodynamic parameters we performed a percutaneous mitral repair with Mitraclip. MR grade was reduced from severe to trivial with rapid improvement of the respiratory and hemodynamic parameters. The post‐procedural course was uneventful and the patient was discharged 7 days later. At the 30‐day and 6‐month follow‐up the patient remained asymptomatic in NYHA I functional class with no recurrence of MR. Acute MR due to post‐AMI mechanical complications is generally considered a contraindication to MitraClip implantation for several reasons. However, the present report shows that, in selected cases, the Mitraclip system may be successfully used to reduce the severity of acute MR secondary to AMI and may allow to reverse cardiogenic shock and/or refractory pulmonary congestion related to the acute regurgitation. © 2016 Wiley Periodicals, Inc.
Counterion‐Controlled Self‐Sorting in an Amphiphilic Calixarene Micellar System
Authors: Fernández‐Abad Silvia , Pessêgo Márcia , Basílio Nuno , García‐Río Luis
Published: February 2016

Molecular recognition of small molecules and ions by artificial receptors in microheterogeneous media such as micelles and vesicles can, in principle, provide better models of biological systems in comparison with bulk solutions. In this work we have investigated the complexation of an organic fluorescent probe with amphiphilic calixarene receptor below and above the critical micelle concentration (CMC). For concentrations below the CMC, the probe forms a host–guest complex with the calixarene behaving like a traditional host–guest system operating in bulk solution. Above the CMC, multiple equilibrium processes are established and the probe can exchange between the recognition site of the calixarene in the monomeric state, micellized state and/or the micellar hydrophobic core. Careful analysis of the results obtained from NMR spectroscopy and fluorescence experiments allowed us to propose a quantitative model to describe the system. The increment of the local concentration of Na+ counterions at the Stern layer displace the dye to the micelle core through competitive binding of Na+ in the cavity of the receptor and is decisive for the observed self‐sorting behavior.
Ultrasmall Superparamagnetic Iron Oxide Nanoparticles with Europium(III) DO3A as a Bimodal Imaging Probe
Authors: Carron Sophie , Bloemen Maarten , Vander Elst Luce , Laurent Sophie , Verbiest Thierry , Parac‐Vogt Tatjana N.
Published: February 2016

A new prototype consisting of ultrasmall superparamagnetic iron oxide (USPIO) nanoparticles decorated with europium(III) ions encapsulated in a DO3A organic scaffold was designed as a platform for further development of bimodal contrast agents for MRI and optical imaging. The USPIO nanoparticles act as negative MRI contrast agents, whereas the europium(III) ion is a luminophore that is suitable for use in optical imaging detection. The functionalized USPIO nanoparticles were characterized by TEM, DLS, XRD, FTIR, and TXRF analysis, and a full investigation of the relaxometric and optical properties was conducted. The typical luminescence emission of europium(III) was observed and the main red emission wavelength was found at 614 nm. The relaxometric study of these ultrasmall nanoparticles showed r2 values of 114.8 mm−1Fes−1 at 60 MHz, which is nearly double the r2 relaxivity of Sinerem®.
How Interfaces Affect the Acidity of the Anilinium Ion
Authors: Sripradite Jarukorn , Miller Susannah A. , Johnson Michael D. , Tongraar Anan , Crans Debbie C.
Published: February 2016

The acidity of a compound is a fundamental property that dictates molecular speciation and reactivity in solution. Measurements of acidity of simple molecules in interfacial environments are rarely carried out but assumptions often are made that the difference is sufficiently small that the change can be ignored. The effect of oil–surfactant–water interfaces in reverse micellar systems on the pKa value of the anilinium ion was measured using titrations by NMR spectroscopy as the size of the bis(2‐ethylhexyl)sulfosuccinate (AOT)/isooctane reverse micelles decreased. The pKa was observed to drop from 4.85±0.02 to 4.62±0.02 in water as the reverse micelle decreased from w0 10 to 4 (that is down to a reverse micellar radius of about 2 nm). NOSEY experiments demonstrated that the aniline moiety resides within the surfactant interface with the amine/ammonium moiety protruding into the waterpool bridging the interface. The presence of the aniline was found to have modest and variable effect on the size of the reverse micelles as observed using dynamic light scattering. Our experimental results provide information important to theoretical studies, which explore interface phenomena and provide a framework for information on such simple molecules. These studies quantitate the small but significant effect on the pKa values upon placement of an aromatic amine molecule at a hydrophilic–hydrophobic interface.
Iodoindazoles with Selective Magnesiation at Position 3: A Route to Highly Functionalized Indazoles
Authors: Lam Bao Vy , Berhault Yohann , Stiebing Silvia , Fossey Christine , Cailly Thomas , Collot Valérie , Fabis Frédéric
Published: February 2016

A unique route to highly functionalized indazoles is described. A regioselective magnesiation at position 3 of 4‐, 5‐, 6‐ and 7‐iodo‐2‐THP‐indazoles (THP=tetrahydropyranyl) has been developed using TMPMgCl⋅LiCl (TMP=2,2,6,6‐tetramethylpiperidyl). The obtained magnesiate can be trapped by different electrophiles to introduce a wide range of functional groups including halogens, thioalkyls, alcohols, aldehydes, ketones, amides, or esters at position 3. Once this position is functionalized, the iodine atoms can be further reacted through metal–halogen exchange or cross‐coupling strategies. Finally, N‐substitution reactions allow the synthesis of a variety of highly functionalized indazoles giving access to these valuable scaffolds through a simple and unique route.
Exploring Regioselective Bond Cleavage and Cross‐Coupling Reactions using a Low‐Valent Nickel Complex
Authors: Desnoyer Addison N. , Friese Florian W. , Chiu Weiling , Drover Marcus W. , Patrick Brian O. , Love Jennifer A.
Published: February 2016

Recently, esters have received much attention as transmetalation partners for cross‐coupling reactions. Herein, we report a systematic study of the reactivity of a series of esters and thioesters with [{(dtbpe)Ni}2(μ‐η2:η2‐C6H6)] (dtbpe=1,2‐bis(di‐tert‐butyl)phosphinoethane), which is a source of (dtbpe)nickel(0). Trifluoromethylthioesters were found to form η2‐carbonyl complexes. In contrast, acetylthioesters underwent rapid Cacyl−S bond cleavage followed by decarbonylation to generate methylnickel complexes. This decarbonylation could be pushed backwards by the addition of CO, allowing for regeneration of the thioester. Most of the thioester complexes were found to undergo stoichiometric cross‐coupling with phenylboronic acid to yield sulfides. While ethyl trifluoroacetate was also found to form an η2‐carbonyl complex, phenyl esters were found to predominantly undergo Caryl−O bond cleavage to yield arylnickel complexes. These could also undergo transmetalation to yield biaryls. Attempts to render the reactions catalytic were hindered by ligand scrambling to yield nickel bis(acetate) complexes, the formation of which was supported by independent syntheses. Finally, 2‐naphthyl acetate was also found to undergo clean Caryl−O bond cleavage, and although stoichiometric cross‐coupling with phenylboronic acid proceeded with good yield, catalytic turnover has so far proven elusive.
Synthesis of Bis(pentafluoroethyl)germanes
Authors: Pelzer Stefanie , Neumann Beate , Stammler Hans‐Georg , Ignat'ev Nikolai , Hoge Berthold
Published: February 2016

The chemistry of bis(pentafluoroethyl)germanes (C2F5)2GeX2 is presented. The synthesis of such species requires Br2GePh2, wherein the phenyl substituents function as suitable protecting groups. After treatment with two equivalents of LiC2F5, (C2F5)2GePh2 is produced. The replacement of the phenyl rings is smoothly effected by gaseous HBr or HCl in the presence of a Lewis acidic catalyst. The trigermoxane [(C2F5)2GeO]3 results from the reaction of (C2F5)2GeBr2 with Ag2CO3. Its crystalline 1,10‐phenanthroline adduct was fully characterised by X‐ray diffraction. The combination of (C2F5)2GeBr2 with Bu3SnH gave rise to the formation of (C2F5)2GeH2.
Solvent‐Dependent Structure of Iridium Dihydride Complexes: Different Geometries at Low and High Dielectricity of the Medium
Authors: Polukeev Alexey V. , Marcos Rocío , Ahlquist Mårten S. G. , Wendt Ola F.
Published: February 2016

The hydride iridium pincer complex [(PCyP)IrH2] (PCyP=cis‐1,3‐bis[(di‐tert‐butylphosphino)methyl]cyclohexane, 1) reveals remarkably solvent‐dependent hydride chemical shifts, isotope chemical shifts, JHD and T1(min), with rHH increasing upon moving to more polar medium. The only known example of such behaviour (complex [(POCOP)IrH2], POCOP=2,6‐(tBu2PO)2C6H3) was explained by the coordination of a polar solvent molecule to the iridium (J. Am. Chem. Soc. 2006, 128, 17114). Based on the existence of an agostic bond between α‐C−H and iridium in 1 in all solvents, we argue that the coordination of solvent can be rejected. DFT calculations revealed that the structures of 1 and [(POCOP)IrH2] depend on the dielectric permittivity of the medium and these compounds adopt trigonal‐bipyramidal geometries in non‐polar media and square‐pyramidal geometries in polar media.
Visible‐Light‐Promoted Trifluoromethylthiolation of Styrenes by Dual Photoredox/Halide Catalysis
Authors: Honeker Roman , Garza‐Sanchez R. Aleyda , Hopkinson Matthew N. , Glorius Frank
Published: February 2016

Herein, we report a new visible‐light‐promoted strategy to access radical trifluoromethylthiolation reactions by combining halide and photoredox catalysis. This approach allows for the synthesis of vinyl–SCF3 compounds of relevance in pharmaceutical chemistry directly from alkenes under mild conditions with irradiation from household light sources. Furthermore, alkyl–SCF3‐containing cyclic ketone and oxindole derivatives can be accessed by radical‐polar crossover semi‐pinacol and cyclization processes. Inexpensive halide salts play a crucial role in activating the trifluoromethylthiolating reagent towards photoredox catalysis and aid the formation of the SCF3 radical.
The ‘Leaky Pipeline′
Authors: Resmini Marina
Published: February 2016

Gender bias is widespread and needs to be acknowledged and addressed by the scientific community. In this Guest Editorial, M. Resmini, Professor of Materials Chemistry at the Queen Mary University of London, describes how supervisors can play an important role in addressing the ‘leaky pipeline′, namely, the progressive loss of capable women from STEM disciplines.
Synthesis and Utilization of Trialkylammonium‐Substituted Cyclodextrins as Water‐Soluble Chiral NMR Solvating Agents for Anionic Compounds
Authors: Dowey Alison E. , Puentes Cira Mollings , Carey‐Hatch Mira , Sandridge Keyana L. , Krishna Nikhil B. , Wenzel Thomas J.
Published: February 2016

Cationic trialkylammonium‐substituted α‐, β‐, and γ‐cyclodextrins containing trimethyl‐, triethyl‐, and tri‐n‐propylammonium substituent groups were synthesized and analyzed for utility as water‐soluble chiral nuclear magnetic resonance (NMR) solvating agents. Racemic and enantiomerically pure (3‐chloro‐2‐hydroxypropyl)trimethyl‐, triethyl‐, and tri‐n‐propyl ammonium chloride were synthesized from the corresponding trialkyl amine hydrochloride and either racemic or enantiomerically pure epichlorohydrin. The ammonium salts were then reacted with α‐, β‐, and γ‐cyclodextrins at basic pH to provide the corresponding randomly substituted cationic cyclodextrins. The 1H NMR spectra of a range of anionic, aromatic compounds was recorded with the cationic cyclodextrins. Cyclodextrins with a single stereochemistry at the hydroxy group on the (2‐hydroxypropyl)trialkylammonium chloride substituent were often but not always more effective than the corresponding cyclodextrin in which the C‐2 position was racemic. In several cases, the larger triethyl or tri‐n‐propyl derivatives were more effective than the corresponding trimethyl derivative at causing enantiomeric differentiation. None of the cyclodextrin derivatives were consistently the most effective for all of the anionic compounds studied. Chirality 28:299–305, 2016. © 2016 Wiley Periodicals, Inc.
Guideline‐Directed Medication Use in Patients With Heart Failure With Reduced Ejection Fraction in India: American College of Cardiology's PINNACLE India Quality Improvement Program
Authors: Pokharel Yashashwi , Wei Jessica , Hira Ravi S. , Kalra Ankur , Shore Supriya , Kerkar Prafulla G. , Kumar Ganesh , Risch Samantha , Vicera Veronique , Oetgen William J. , Deswal Anita , Turakhia Mintu P. , Glusenkamp Nathan , Virani Salim S.
Published: February 2016

Little is known about the use of guideline‐directed medical therapy (GDMT) in outpatients with heart failure with reduced left ventricular ejection fraction (HFrEF; ≤40%) in India. Our objective was to understand the use of GDMT in outpatients with HFrEF in India. The Practice Innovation And Clinical Excellence (PINNACLE) India Quality Improvement Program (PIQIP) is a registry for cardiovascular quality improvement in India supported by the American College of Cardiology Foundation. Between January 2008 and September 2014, we evaluated documentation of use of angiotensin‐converting enzyme inhibitors (ACEIs)/angiotensin receptor blockers (ARBs) and β‐blockers, or both, among outpatients with HFrEF seeking care in 10 centers enrolled in the PIQIP registry. Among 75 639 patients in the PIQIP registry, 34 995 had EF reported, and 15 870 had an EF ≤40%. The mean age was 56 years; 23% were female. Hypertension, diabetes, coronary artery disease, and myocardial infarction were present in 37%, 23%, 27%, and 17%, respectively. Use of ACEIs/ARBs, β‐blockers, and both were documented in 33.5%, 34.9%, and 29.6% of patients, respectively. The documentation of GDMT was higher in men, in patients age ≥65 years, and in those with presence of hypertension, diabetes, or coronary artery disease. Documentation of GDMT gradually increased over the study period. Among patients enrolled in the PIQIP registry, about two‐thirds of patients with EF ≤40% did not have documented receipt of GDMT. This study is an initial step toward improving adherence to GDMT in India and highlights the feasibility of examining quality of care in HFrEF in a resource‐limited setting.
Function of Nitrate Ion and Tea Saponin Application Rates in Anerobic PAH Dissipation in Paddy Soil
Authors: Sun Mingming , Ye Mao , Shen Fangyuan , Xu Jingjing , Ye Chenglong , Yu Li , Hu Feng , Li Huixin , Jiang Xin , Kengara Fredrick Orori
Published: February 2016

In the present study, KNO3 and tea saponin (TS) were applied to investigate systematically the potential impact of their concentrations on dissipation of anerobic polycyclic aromatic hydrocarbons (PAH) in paddy soils. After 150 days of incubation, the highest removals for total, 3‐, 4‐, and 5(+6)‐ring PAHs were 84.3, 92.3, 85.6, and 69.3%, respectively, with the simultaneous application of 50 mM KNO3 and 2% TS, w/w. Moreover, using response surface methodology, the theoretical maximum removal for total PAHs in the 80–100% range can be achieved at >35 mM KNO3 and >1.5% TS, w/w. Meanwhile, Tenax® TA extraction and a first‐three‐compartment model method demonstrated that TS (w/w, 2%) could serve as an effective bioaccessibility‐enhancing agent to increase the rapidly and slowly desorbing fractions of PAHs from 6 and 12% in the control to 29 and 42% (p < 0.05), respectively. In addition, proper concentrations of KNO3 and TS in soil could enhance soil microbial characteristics, including denitrifying bacterial count, nitrate reductase activity, and soil microbial biomass carbon and nitrogen, suggesting at least the partial restoration of microbial biological function to the soil after remediation. The results are important in understanding the anerobic PAH dissipation in paddy soils.
Development of Photoactivatable Allosteric Modulators for the Chemokine Receptor CXCR3
Authors: Admas Tizita Haimanot , Bernat Viachaslau , Heinrich Markus R. , Tschammer Nuska
Published: February 2016

The CXCR3 receptor, a class A G protein‐coupled receptor (GPCR), is involved in the regulation and trafficking of various immune cells. CXCR3 antagonists have been proposed to be beneficial for the treatment of a wide range of disorders including but not limited to inflammatory and autoimmune diseases. The structure‐based design of CXCR3 ligands remains, however, hampered by a lack of structural information describing in detail the interactions between an allosteric ligand and the receptor. We designed and synthesized photoactivatable probes for the structural and functional characterization, using photoaffinity labeling followed by mass spectrometry, of the CXCR3 allosteric binding pocket of AMG 487 and RAMX3, two potent and selective CXCR3 negative allosteric modulators. Photoaffinity labeling is a common approach to elucidate binding modes of small‐molecule ligands of GPCRs through the aid of photoactivatable probes that convert to extremely reactive intermediates upon photolysis. The photolabile probe N‐[({1‐[3‐(4‐ethoxyphenyl)‐4‐oxo‐3,4‐dihydropyrido[2,3‐d]pyrimidin‐2‐yl]ethyl}‐2‐[4‐fluoro‐3‐(trifluoromethyl)phenyl]‐N‐{1‐[4‐(3‐(trifluoromethyl)‐3H‐diazirin‐3‐yl]benzyl}piperidin‐4‐yl)methyl]acetamide (10) showed significant labeling of the CXCR3 receptor (80 %) in a [3H]RAMX3 radioligand displacement assay. Compound 10 will serve as an important tool compound for the detailed investigation of the binding pocket of CXCR3 by mass spectrometry.
Novel 8‐Hydroxyquinoline Derivatives as Multitarget Compounds for the Treatment of Alzheimer′s Disease
Authors: Prati Federica , Bergamini Christian , Fato Romana , Soukup Ondrej , Korabecny Jan , Andrisano Vincenza , Bartolini Manuela , Bolognesi Maria Laura
Published: February 2016

We discovered a small series of hit compounds that show multitargeting activities against key targets in Alzheimer′s disease (AD). The compounds were designed by combining the structural features of the anti‐AD drug donepezil with clioquinol, which is able to chelate redox‐active metals, thus decreasing metal‐driven oxidative phenomena and β‐amyloid (Aβ)‐mediated neurotoxicity. The majority of the new hybrid compounds selectively target human butyrylcholinesterase at micromolar concentrations and effectively inhibit Aβ self‐aggregation. In addition, compounds 5‐chloro‐7‐((4‐(2‐methoxybenzyl)piperazin‐1‐yl)methyl)‐8‐hydroxyquinoline (1 b), 7‐((4‐(2‐methoxybenzyl)piperazin‐1‐yl)methyl)‐8‐hydroxyquinoline (2 b), and 7‐(((1‐benzylpiperidin‐4‐yl)amino)methyl)‐5‐chloro‐8‐hydroxyquinoline (3 a) are able to chelate copper(II) and zinc(II) and exert antioxidant activity in vitro. Importantly, in the case of 2 b, the multitarget profile is accompanied by high predicted blood–brain barrier permeability, low cytotoxicity in T67 cells, and acceptable toxicity in HUVEC primary cells.
Dispositional optimism and therapeutic expectations in early‐phase oncology trials
Authors: Jansen Lynn A. , Mahadevan Daruka , Appelbaum Paul S. , Klein William M.P. , Weinstein Neil D. , Mori Motomi , Daffé Racky , Sulmasy Daniel P.
Published: February 2016

BACKGROUND

Prior research has identified unrealistic optimism as a bias that might impair informed consent among patient‐subjects in early‐phase oncology trials. However, optimism is not a unitary construct; it also can be defined as a general disposition, or what is called dispositional optimism. The authors assessed whether dispositional optimism would be related to high expectations for personal therapeutic benefit reported by patient‐subjects in these trials but not to the therapeutic misconception. The authors also assessed how dispositional optimism related to unrealistic optimism.

METHODS

Patient‐subjects completed questionnaires designed to measure expectations for therapeutic benefit, dispositional optimism, unrealistic optimism, and the therapeutic misconception.

RESULTS

Dispositional optimism was found to be significantly associated with higher expectations for personal therapeutic benefit (Spearman rank correlation coefficient [r], 0.333; P<.0001), but was not associated with the therapeutic misconception (Spearman r, ‐0.075; P = .329). Dispositional optimism was found to be weakly associated with unrealistic optimism (Spearman r, 0.215; P = .005). On multivariate analysis, both dispositional optimism (P = .02) and unrealistic optimism (P<.0001) were found to be independently associated with high expectations for personal therapeutic benefit. Unrealistic optimism (P = .0001), but not dispositional optimism, was found to be independently associated with the therapeutic misconception.

CONCLUSIONS

High expectations for therapeutic benefit among patient‐subjects in early‐phase oncology trials should not be assumed to result from misunderstanding of specific information regarding the trials. The data from the current study indicate that these expectations are associated with either a dispositionally positive outlook on life or biased expectations concerning specific aspects of trial participation. Not all manifestations of optimism are the same, and different types of optimism likely have different consequences for informed consent in early‐phase oncology research. Cancer 2016;122:1238–46. © 2016 American Cancer Society.
Usefulness of translocation‐associated immunohistochemical stains in the fine‐needle aspiration diagnosis of salivary gland neoplasms
Authors: Foo Wen‐Chi , Jo Vickie Y. , Krane Jeffrey F.
Published: February 2016

BACKGROUND

Fine‐needle aspiration diagnosis of pleomorphic adenoma (PA) and adenoid cystic carcinoma (ACC) is challenging due to cytologic overlap with one another and with other salivary gland tumors having prominent epithelial and myoepithelial components. Recognition of characteristic chromosomal aberrations in several salivary gland tumors, including PA and ACC, has the potential to resolve diagnostic uncertainty, but molecular diagnostics are not routinely available. To leverage these molecular alterations, the authors examined a panel of commercially available immunostains directed at commonly overexpressed proteins in translocation‐associated PA (PLAG1 and HMGA2) and ACC (MYB) to assess their diagnostic usefulness.

METHODS

Immunohistochemistry was performed on cell block samples from 74 patients, including 11 ACC specimens and 31 PA specimens with antibodies to MYB, PLAG1, and HMGA2 as well as KIT (previously considered useful in the diagnosis of ACC).

RESULTS

ACCs demonstrated significantly greater staining for KIT compared with non‐ACCs, while PAs had significantly greater staining for PLAG1 than non‐PAs. MYB trended toward significance for ACC (P=.097) and HMGA2 trended toward significance for PA (P=.094). No ACC exhibited positive staining for PLAG1 or HMGA2. Only 12% of PAs were found to be positive for MYB or KIT. Combined positivity for MYB and KIT with negative PLAG1 and HMGA2 demonstrated a specificity and positive predictive value of 1.0 for ACC, whereas a positive PLAG1 or HMGA2 stain with negative MYB and KIT stains showed a sensitivity of 0.75, a specificity of 0.96, and a positive predictive value of 0.95 for PAs.

CONCLUSIONS

An immunohistochemical panel of MYB, KIT, PLAG1, and HMGA2 on fine‐needle aspiration cell blocks is useful in distinguishing ACCs and PAs from each other and other salivary gland neoplasms. Cancer Cytopathol 2016;124:397–405. © 2016 American Cancer Society.
Hidradenocarcinoma presenting as soft tissue mass: Case report with cytomorphologic description, histologic correlation, and differential diagnosis
Authors: Jinnah Alexander H. , Emory Cynthia L. , Mai Nicholas H. , Bergman Simon , Salih Ziyan T.
Published: February 2016

Hidradenocarcinoma (HAC) is a rare adenexal tumor with a propensity for the head and neck region and extremities. We report a case of hidradenocarcinnoma in a 56‐year‐old woman with a mass on her right palm sampled by fine‐needle aspiration and later confirmed on histological examination. Fine‐needle aspiration cytology revealed a dual population of cells including polyhedral eosinophilic cells and glycogen containing cells with pale/clear cytoplasm. The nuclei were pleomorphic with prominent nucleoli. Occassional papillary structures were identified on the cell block material. A series of immunohistochemical stains were performed and an adnexal neoplasm was suggested. The mass was resected. On histologic sections, infiltration into the adjacent soft tissue was identified. After an additional series of immunohistochemical stains, the diagnosis was confirmed as a HAC. Herein, we present our findings and discuss the differential diagnoses. Diagn. Cytopathol. 2016;44:438–441. © 2016 Wiley Periodicals, Inc.
Ecohydrological feedbacks in peatlands: an empirical test of the relationship among vegetation, microtopography and water table
Authors: Malhotra Avni , Roulet Nigel T. , Wilson Paul , Giroux‐Bougard Xavier , Harris Lorna I.
Published: February 2016

Current models and theories of the formation and maintenance of microtopography in ombrotrophic peatlands (bogs) assume autogenic feedbacks between vegetation composition, water table depth (WTD) and microtopography. A hypothesized outcome of autogenic feedbacks is a strong association among spatial variations in vegetation composition, WTD and microtopography. We tested and corroborated this hypothesis using fine spatial scale (<2 × 2 m2) data from two 20 × 20 m2 plots at Mer Bleue, a temperate bog. Furthermore, we partitioned the spatial variation of plant communities into portions explained by WTD as well as fine‐scale and broad‐scale spatial structures using distance‐based Moran's eigenvector maps. We hypothesized that plant distributions are more strongly related to WTD than to microtopography and found that this hypothesis was supported in only one of the two sampled plots, suggesting that the feedbacks among WTD, vegetation and microtopography could be dependent on location within a bog. A plot closer to the centre (apex) of the bog showed stronger relationships among WTD–microtopography and vegetation than a plot closer to the margin. Our results support current models and theories of the development of bogs wherein plant communities, water table and microtopography are strongly associated because of underlying ecohydrological feedbacks but highlight that strength and direction of feedbacks may vary by location within a bog. Affirming the presence of these structural relationships and identifying variability in them is a key step towards better understanding peatland carbon cycling, especially in the context of increasing anthropogenic and natural disturbances to peatlands. Copyright © 2016 John Wiley & Sons, Ltd.
Micellar electrokinetic chromatographic method for the dabrafenib determination in biological samples
Authors: Rodríguez Juana , Castañeda Gregorio , Muñoz Lorena , Lizcano Isabel , Berciano Miguel A.
Published: February 2016

Two different micellar electrokinetic chromatographic methods to determine dabrafenib in urine and serum, both using borate buffer (pH 9.2, 20 mM) and SDS as separation electrolyte, are developed and validated. The analyses were carried out in a fused‐silica capillary of 75 μm of internal diameter and total length of 47 and 37 cm for urine and serum determination, respectively. The detection of the target compound was performed at 227 nm in urine samples and at 251 nm in serum samples. The linearity range was from 1 to 21 mg/L of dabrafenib in urine and from 2 to 40 mg/L in serum. In all cases, inter‐ and intraday RSDs were <4%. Sample preparation of serum samples consists of an only step of 1:1 dilution with water before its injection in the electrophoretic system. These simple, sensitive, accurate, and cost‐effective methods can be used in routine clinical practice to monitor dabrafenib concentrations in urine and serum of metastatic melanoma skin cancer patients.
Toll‐like receptor‐mediated immune response inhibits prion propagation
Authors: Kang Sang‐Gyun , Kim Chiye , Cortez Leonardo M. , Carmen Garza María , Yang Jing , Wille Holger , Sim Valerie L. , Westaway David , McKenzie Debbie , Aiken Judd
Published: February 2016

Prion diseases are progressive neurodegenerative disorders affecting humans and various mammals. The prominent neuropathological change in prion diseases is neuroinflammation characterized by activation of neuroglia surrounding prion deposition. The cause and effect of this cellular response, however, is unclear. We investigated innate immune defenses against prion infection using primary mixed neuronal and glial cultures. Conditional prion propagation occurred in glial cultures depending on their immune status. Preconditioning of the cells with the toll‐like receptor (TLR) ligand, lipopolysaccharide, resulted in a reduction in prion propagation, whereas suppression of the immune responses with the synthetic glucocorticoid, dexamethasone, increased prion propagation. In response to recombinant prion fibrils, glial cells up‐regulated TLRs (TLR1 and TLR2) expression and secreted cytokines (tumor necrosis factor‐α, interleukin‐1β, interleukin‐6, granulocyte‐macrophage colony‐stimulating factor, and interferon‐β). Preconditioning of neuronal and glial cultures with recombinant prion fibrils inhibited prion replication and altered microglial and astrocytic populations. Our results provide evidence that, in early stages of prion infection, glial cells respond to prion infection through TLR‐mediated innate immunity. GLIA 2016;64:937–951
Salvage total laryngectomy after external‐beam radiotherapy: A 20‐year experience
Authors: Sandulache Vlad C. , Vandelaar Laura J. , Skinner Heath D. , Cata Juan , Hutcheson katherine , Fuller Clifton David , Phan Jack , Siddiqui Zuhair , Lai Stephen Y. , Weber Randal S. , Zafereo Mark E.
Published: February 2016

Background

The purpose of this study was to present our evaluation of the clinical and functional outcomes after salvage total laryngectomy (STL).

Methods

We conducted a retrospective review of 218 patients who underwent STL between 1994 and 2014.

Results

Seventy percent of patients originally had T1 or T2, N0 tumors and 73% had definitive external‐beam radiotherapy (EBRT) alone. A majority utilized tracheoesophageal prosthesis (77%) and were gastrostomy free (80%) at last follow‐up. The 5‐year disease control and overall survival (OS) rates were 65% and 57%, respectively. Patients with a disease‐free interval after initial treatment <2 years were more likely to develop a recurrence (p = .001) and die of disease (p = .032) after STL. The disease‐free interval after EBRT impacted disease control (p < .001), with 5‐year disease control of 92% for >5‐year disease‐free interval and 60% for <2‐year disease‐free interval.

Conclusion

Most patients remain disease‐free after STL, achieve intelligible tracheoesophageal speech, and maintain an oral diet. Delayed recurrence after initial treatment portends better survival and may indicate a distinct biological profile. © 2016 Wiley Periodicals, Inc. Head Neck 38: E1962–E1968, 2016
The synergistic effect of surface topography and sustained release of TGF‐β1 on myogenic differentiation of human mesenchymal stem cells
Authors: Moghadasi Boroujeni Samaneh , Mashayekhan Shohreh , Vakilian Saeid , Ardeshirylajimi Abdolreza , Soleimani Masoud
Published: February 2016

A combination of topographical cues and controlled release of biochemical factors is a potential platform in controlling stem cells differentiation. In this study the synergistic effect of nanotopography and sustained release of biofunctional transforming growth factor beta 1 (TGF‐β1) on differentiation of human Wharton's Jelly‐derived mesenchymal stem cell (hWJ‐derived UC‐MSCs) toward myogenic lineage was investigated. In order to achieve a sustained release of TGF‐β1, this factor was encapsulated within chitosan nanoparticles. Afterwards the aligned composite mats were fabricated using poly‐ɛ‐caprolacton (PCL) containing TGF‐β1‐loaded chitosan nanoparticles and poly‐L‐lactic acid (PLLA). The nanofiber topography notably up‐regulated the expressions of calponin1 and SM22α compared with tissue culture polystyrene (TCP). Moreover, the combination of nanofiber topography and sustained TGF‐β1release resulted in more significant enhancement of SMC marker, in particular smooth muscle α‐actin (ASMA) expression, compared with bolus delivery despite lower amounts of TGF‐β1 (>10 times lower). Additionally, immunofluorescence staining showed that ASMA and desmin were expressed at higher intensity in cells exposed to controlled TGF‐β1 delivery rather than bolus delivery. These results demonstrated the importance of combined effect of topography and drug delivery in directing stem cell fate and the potential of such biofunctional scaffolds for cell transplantation applications in bladder tissue engineering. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 104A: 1610–1621, 2016.
Safety, tolerability, and outcomes of regular automated red cell exchange transfusion in the management of sickle cell disease
Authors: Tsitsikas Dimitris A. , Sirigireddy Bala , Nzouakou Ruben , Calvey Alexander , Quinn Joanne , Collins Janine , Orebayo Funmilayo , Lewis Natasha , Todd Sophie , Amos Roger J.
Published: February 2016

We report here our experience with regular automated red cell exchange transfusion for the management of chronic complications of sickle cell disease in 50 patients in our institution from June 2011 to December 2014. The mean sickle hemoglobin level was 44% and 8.5% pre‐ and post‐transfusion, respectively. Platelets were reduced by a mean 70% during the procedure with a count of less than 50 × 109/l in 6% of cases. The alloimmunization rate was 0.065/100 units of red cells with no hemolytic reactions. Patients with no iron overload at baseline showed no evidence of iron accumulation with a mean liver iron concentration of 1.6 mg/g dry tissue and 1.9 mg/g dry tissue at baseline and 36 months, respectively. All six patients with pre‐existing iron overload and on chelation therapy, showed a gradual reduction of their liver iron concentration and two patients could discontinue chelation during the follow‐up period. Seventy percentage of patients who were on the programme for recurrent painful crises showed a sustained reduction in the number of emergency hospital attendances; the mean number of days in hospital for emergency treatment was 103 in the year prior to commencing ARCET and reduced to 62 (40%) after the first 12 months, 51 (50%) after 24 months, and 35 days (66%) after 36 months. J. Clin. Apheresis 31:545–550, 2016. © 2015 Wiley Periodicals, Inc.
Big Data and KPIs: A Valuable Connection
Authors: Fanning Kurt
Published: February 2016

The benefits from a firm's Big Data program can be enhanced by the proper use analytics specifically in the form of key performance indicators (KPIs). A firm's prioritizing of the values of its goals and information is even more important within the Big Data environment. Due to the quantity of data within Big Data projects, knowing what is most valuable to the firm can drive the success of the Big Data project. In addition, once the correct choices are made regarding which information drives the firm's success, it is just as important to have the right analytics finding the correct data. The purpose of this article is to explain how a firm can improve its Big Data project by linking the right KPIs with its Big Data project. © 2016 Wiley Periodicals, Inc.
Why Profit Doesn't Translate Into Cash
Authors: Tomas Lee Reginald
Published: February 2016

In this article, the author suggests there is a disconnect between profit and cash flow. Ultimately, you will need to build models to help you understand and manage cash flow. Central to this insight will be capacity modeling. Capacity is the largest expenditure of most companies, yet most fail to realize and manage capacity. Most accounting approaches fail to accomplish this. Additionally, understanding the difference between cash outlay cost (cost
c
 ) and noncash cost (cost
nc
 ) will be important, as only one is cash, and you cannot add dissimilar numbers together mathematically. © 2016 Wiley Periodicals, Inc.