bluuebunny/crossref_metadata_2025 huggingface dataset:
Stenting of the ascending aorta revisited
Authors: Moiduddin Nasser J. , Rios Rodrigo , El‐Said Howaida , Moore John W.
Published: May 2017

Despite few institutions stenting the ascending aorta, it has been discouraged because of the proximity of the aortic valve, the coronary artery orifices, and the aortic arch branches. We describe a small case series of patients having acquired stenosis of the ascending that was relieved successfully by stenting. © 2017 Wiley Periodicals, Inc.
Impact of small prosthesis size on transcatheter or surgical aortic valve replacement outcomes
Authors: Salna Michael , Khalique Omar K. , Chiuzan Codruta , Kurlansky Paul , Borger Michael A. , Hahn Rebecca T. , Leon Martin B. , Smith Craig R. , Kodali Susheel K. , George Isaac
Published: May 2017

Objectives

Determine the comparative impact of small prosthesis size on transcatheter and surgical aortic valve replacement (SAVR) outcomes.

Background

Patients with small aortic annuli tend to have worse postoperative outcomes and hemodynamics. We sought to describe surgical outcomes in patients with very small aortic annuli and then compare early hemodynamic and clinical outcomes in patients undergoing surgical or transcatheter aortic valve replacement (TAVR) with the smallest available valves to assist in optimal prosthesis selection for this challenging patient population.

Methods

A retrospective single‐center study comparing patient data from 2143 patients undergoing SAVR with valves having a true internal diameter (ID) of ≥19 mm with 130 patients receiving surgical valves with true ID's <19 mm (SmSAVR). Outcomes of SmSAVR patients were then compared with 40 patients undergoing TAVR receiving small valves (SmTAVR). A representative SmSAVR cohort was then compared with the SmTAVR patients for post‐operative hemodynamics.

Results

Receiving a small surgical valve may significantly increase 1‐year mortality compared with standard‐sized surgical valves (HR 1.93; 95% confidence interval 1.03–3.61). SmTAVR patients had significantly shorter lengths of stay than SmSAVR (median 5 vs. 9 days), and significantly better postoperative hemodynamic profiles (mean gradient 13.4 ± 7.8 vs. 18.1 ± 8.4 mm Hg, P = 0.006, peak velocity of 2.5 ± 0.6 vs. 2.9 ± 0.6 m/s, P = 0.003).

Conclusions

TAVR is a safe and reasonable option for patients with small aortic annuli and is associated with shorter hospital stays and more favorable postoperative hemodynamic outcomes compared with SAVR. © 2017 Wiley Periodicals, Inc.
Homogeneous and Heterogeneous Nickel‐Catalyzed Olefin Oligomerization: Experimental Investigation for a Common Mechanistic Proposition and Catalyst Optimization
Authors: Forget Séverine , Olivier‐Bourbigou Hélène , Delcroix Damien
Published: May 2017

Only a few catalytic transformations can be efficiently catalyzed by both homogeneous or heterogeneous technologies, with short olefin oligomerization promoted by a nickel‐based catalysts among them. Homogeneous and heterogeneous catalysis are often opposed in terms of activity, active‐site description or recyclability, traditionally mentioned as “homogeneous versus. heterogeneous”. Unlike previous studies, we propose to emphasize the similarities between both catalysis by comparing industrially representative results obtained in continuous flow‐mode under similar mild conditions. A detailed analysis of both primary products of olefins oligomerization, and a set of secondary products obtained in experimental assays completed with recently published results of DFT calculations prompted us to postulate a common mechanistic pathway for nickel‐catalyzed ethylene oligomerization. Heterogeneous metallic ethylene oligomerization, for which nickel active sites identification has indeed long been under debate, seems to follow the Cossee–Arlman mechanism, well accepted as major mechanism in the homogeneous counterpart. This analysis allowed us to design an unprecedented heterogeneous catalyst active for ethylene and butene oligomerization.
Optimizing the Crystal Habit of Glycine by Using an Additive for Impinging Jet Crystallization
Authors: Tari Tímea , Ambrus Rita , Szakonyi Gerda , Madarász Dániel , Frohberg Patrick , Csóka Ildikó , Szabó-Révész Piroska , Ulrich Joachim , Aigner Zoltán
Published: May 2017

Additives selectively inhibit or enhance the growth of crystal faces and effectively change the crystal morphology. For the first time, potassium chloride was used as additive during impinging jet crystallization of glycine. The structure of the powder particles was evaluated by X‐ray powder diffraction, differential scanning calorimetry, scanning electron microscopy with energy dispersive X‐ray spectroscopy, headspace gas chromatography, and flame atomic absorption spectrometry. Even a minor amount of KCl had a significant effect on the crystal roundness and reduced the particle size significantly, despite of the extremely rapid nature of the crystallization process. This method resulted in the α‐polymorph of glycine with an appropriate low residual additive content and a minimal residual organic solvent content. The arrangement and the optimal concentration of the additive were determined.
KH2PO4 Production by Cooling Crystallization Using Its Phase Equilibrium in the KH2PO4‐KCl‐C2H5OH‐H2O System
Authors: Ren Yongsheng , Liu Jiamin , Ma Jingjing , Cai Chao
Published: May 2017

Solid‐liquid phase equilibrium and physicochemical properties of the KCl‐KH2PO4‐C2H5OH‐H2O system at 313.15 K were investigated by the method of isothermal solution saturation, and the equilibrium solids were analyzed by Schreinemaker's method of wet residues and verified by XRD. Drowning‐out precipitation of KH2PO4 was carried out by mixing different ethanolic aqueous solutions, and crystal morphology was observed by polarizing microscopy. The phase diagrams exhibit one eutonic point, two univariant curves, and crystallization regions corresponding to KCl and KH2PO4. At all studied ethanol concentrations, the crystallization region of KH2PO4 is larger than that of KCl. The effect of KCl (ethanol) on crystal growth morphology and KH2PO4 product quality was studied.
Radio Frequency‐Based In Situ Determination of the Mass Loss of Supported Ionic Liquids
Authors: Anke Marie-Luise , Hämmerle Martin , Gerchau Jörg , Moos Ralf , Jess Andreas
Published: May 2017

For technical applications of supported ionic liquids (ILs), the stability of the IL layers both with regard to thermal decomposition and to losses by evaporation is of great importance. An innovative radio frequency‐based method is presented to determine the pore filling degree of supported ILs in situ and in a contactless way. As an example, the IL 1‐ethyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide, which was supported on the internal surface of porous silica, was selected. The complex permittivity of the porous solid coated with the IL increases linearly with the IL pore filling degree. Therefore, the evaporation rate of the IL in a fixed bed could be measured in situ in the reactor.
Size‐Controlled Hollow Spheres of C/α‐Fe2O3 Prepared through the Quasiemulsion‐Templated Method and Their Electrochemical Properties for Lithium‐Ion Storage
Authors: Kim Yoongon , Choi Eunjung , Kim Jong Guk , Lee Seungjun , Yoon Wongeun , Ham Moon‐Ho , Kim Won Bae
Published: May 2017

In this paper, α‐Fe2O3 hollow spheres in different sizes were successfully synthesized through a glycerol emulsion template method for use as efficient electrode materials in lithium‐ion batteries. The sizes of α‐Fe2O3 hollow sphere could be easily controlled by adjusting the amount of glycerol over the Fe precursor during the hydrothermal synthesis process. A thin carbon layer was subsequently coated on the surface of α‐Fe2O3 hollow spheres through hydrothermal treatment with glucose for the carbonization process, in which the carbon phases could serve as a conductive layer for the efficient charge transfer, but also as a buffer layer for the accommodation of volume vibration of the electrode material during cycling. The carbon‐coated α‐Fe2O3 hollow sphere electrode showed a high discharge capacity of approximately 1452 mAh g−1 with a capacity increase of at least 32 % compared to that of α‐Fe2O3 hollow spheres without the carbon coating at the 50th cycle. The stability and cycling performance were also significantly improved by the presence of the carbon layer, indicating that the C/α‐Fe2O3 hollow sphere could be a promising metal‐oxide anode material for lithium‐ion batteries.
The Versatile Behavior of Platinum Alkyne Complexes towards XeF2: Formation of Fluorovinyl and Fluorido Complexes
Authors: Berger Josefine , Braun Thomas , Ahrens Theresia , Kläring Paul , Laubenstein Reik , Braun‐Cula Beatrice
Published: May 2017

Reactions of platinum(0) tolane complexes, bearing a chelating ligand with P and N donor atoms, with the electrophilic fluorinating agent XeF2 give facile access to platinum(II) β‐fluorovinyl fluorido complexes. A series of new platinum(II) β‐fluorovinyl complexes have been synthesized and were structurally characterized. Further oxidation with XeF2 led to ortho‐metalated platinum(IV) fluorido compounds. Additional reactions of platinum(0) tolane complexes, bearing a chelating P,P donor ligand, with XeF2 led to a variety of fluorido and fluorovinyl complexes.
Responsive, Water‐Soluble Europium(III) Luminescent Probes
Authors: Shuvaev Sergey , Starck Matthieu , Parker David
Published: May 2017

The design principles, mechanism of action and performance of europium(III) complexes that serve as strongly emissive and responsive molecular probes in water are critically discussed. Examples of systems designed to assess pH, selected metal ions and anions, including chiral species, as well as selected small molecules and biopolymers are considered, and prospects evaluated for improved performance in more complex biological media such as in bio‐fluids and within living cells. Modulation of the emission spectral form, lifetime and degree of circular polarisation can be used to quantify the spectral response and permit calibration.
An Efficient Nickel‐Catalyzed Asymmetric Oxazole‐Forming Ugi‐Type Reaction for the Synthesis of Chiral Aryl‐Substituted THIQ Rings
Authors: Li Dan , Yang Dongxu , Wang Linqing , Liu Xihong , Wang Kezhou , Wang Jie , Wang Pengxin , Liu Yuyang , Zhu Haiyong , Wang Rui
Published: May 2017

A nickel‐catalyzed asymmetric oxazole‐forming Ugi reaction of C,N‐cyclic azomethine imines and isonitriles is disclosed. The reported protocol proceeds smoothly, and gives the corresponding adducts, which contain two important pharmaceutically active ring‐systems (tetrahydroquinoline and oxazole rings), in good yields and excellent enantioselectivities by employing an easily accessible chiral diamine as a ligand. This simple and efficient strategy provides easy access to a series of C1‐substituted aryl tetrahydroisoquinolines.
Green Imidazolium Ionics–From Truly Sustainable Reagents to Highly Functional Ionic Liquids
Authors: Tröger‐Müller Steffen , Brandt Jessica , Antonietti Markus , Liedel Clemens
Published: May 2017

We report the synthesis of task‐specific imidazolium ionic compounds and ionic liquids with key functionalities of organic molecules from electro‐, polymer‐, and coordination chemistry. Such products are highly functional and potentially suitable for technology applications even though they are formed without elaborate reactions and from cheap and potentially green reagents. We further demonstrate the versatility of the used synthetic approach by introducing different functional and green counterions to the formed ionic liquids directly during the synthesis or after metathesis reactions. The influence of different cation structures and different anions on the thermal and electrochemical properties of the resulting ionic liquids is discussed. Our goal is to make progress towards economically competitive and sustainable task‐specific ionic liquids.
Synthesis and Properties of Functional Twisted Tolanes
Authors: Kozhemyakin Yury , Kretzschmar Andreas , Krämer Maximilian , Rominger Frank , Dreuw Andreas , Bunz Uwe H. F.
Published: May 2017

The synthesis and optical properties of several novel fluorescent and/or phosphorescent bridged tolanes (tolanophanes) are reported and their optical and structural properties are investigated. Specifically, diiodinated and bisalkynylated tolanophanes were obtained, and characterized by spectroscopy and computational methods. They represent attractive building blocks for novel polymers and emissive solid‐state materials.
Nanosize effects of NiO nanosorbcats on adsorption and catalytic thermo‐oxidative decomposition of vacuum residue asphaltenes
Authors: Marei Nedal N. , Nassar Nashaat N. , Hmoudah Maryam , El‐Qanni Amjad , Vitale Gerardo , Hassan Azfar
Published: May 2017

The nanosize effects of NiO nanosorbcats on adsorption and post‐adsorption catalytic thermo‐oxidative decomposition of vacuum residue (VR) n‐C5 asphaltenes was investigated using a UV‐vis spectrophotometer and thermogravimetric analyzer coupled with a mass spectrometer. Sizes between 5 and 80 nm of different‐sized NiO nanosorbcats were employed. Batch adsorption experiments were carried out for the considered asphaltenes in toluene solutions, monitored via UV‐vis spectrophotometry. The macroscopic adsorption isotherms were described by implementing the solid‐liquid equilibrium (SLE) model. The findings showed that thermally cracked vacuum residue (VR) n‐C5 asphaltenes interact to different extents with different‐sized NiO nanosorbcats. A normalized surface area basis was used for the amount of VR n‐C5 asphaltene adsorbed per nm2 of NiO surface, which was the highest for NiO nanoparticles of size 80 nm, with 5 nm size being the lowest. Thermogravimetric analysis of VR n‐C5 asphaltenes was also achieved and the reaction products were explored by a mass spectrometer. The Kissinger‐Akahira‐Sunose (KAS) isoconversional model was used to describe the reaction mechanism and to confirm the validity of the catalytic role of the different particle sizes of NiO nanosorbcats. The highest catalytic activity was for smallest NiO when compared to the highest NiO nanosorbcats. Furthermore, the results of thermodynamic transition state parameters of activation; changes in Gibbs free energy (ΔG‡), entropy (ΔS‡), and enthalpy (ΔH‡) highlighted the catalytic activity of NiO nanosorbcats towards VR n‐C5 asphaltenes oxidation. These findings exhibit the significance of textural properties and nanosize of nanoparticles during adsorption and thermal catalytic processing of asphaltenes.
Thromboembolic risk and effect of oral anticoagulation according to atrial fibrillation patterns: A systematic review and meta‐analysis
Authors: Lilli Alessio , Di Cori Andrea , Zacà Valerio
Published: May 2017

Oral anticoagulation (OAC) is recommended in both paroxysmal atrial fibrillation (pxAF) and nonparoxysmal AF (non‐pxAF), but disagreement exists in classes of recommendation. Data on incidence/rate of stroke in pxAF are conflicting, and OAC is often underused in this population. The objectives of the meta‐analysis were to investigate different impact on outcomes of pxAF and non‐pxAF, with and without OAC. Two reviewers searched for prospective studies on risk of stroke and systemic embolism (SE) in pxAF and non‐pxAF, with and without OAC. Quality of evidence was assessed according to GRADE approach. Stroke combined with SE was the main outcome. Meta‐regression was performed to evaluate OAC effect on stroke and SE incidence rate. We identified 18 studies. For a total of 239 528 patient‐years of follow‐up. The incidence rate of stroke/SE was 1.6% (95% confidence interval [CI]: 1.3%‐2.0%) in pxAF and 2.3% (95% CI: 2.0%‐2.7%) in non‐pxAF. Paroxysmal AF was associated with a lower risk of overall thromboembolic (TE) events (risk ratio: 0.72, 95% CI: 0.65‐0.80, P < 0.00001) compared with non‐pxAF. In both groups, the annual rate of TE events decreased as proportion of patients treated with OAC increased. Non‐pxAF showed a reduction from 3.7% to 1.7% and pxAF from 2.5% to 1.2%. Major bleeding rates did not differ among groups. Stroke/SE risk is significantly lower, although clinically meaningful, in pxAF. OAC consistently reduces TE event rates across any AF pattern. As a whole, these data provide the evidence to warrant OAC irrespective of the AF pattern in most (virtually all) patients.
Lanthanide Complexes in Molecular Magnetic Resonance Imaging and Theranostics
Authors: Lacerda Sara , Tóth Éva
Published: May 2017

Lanthanide complexes have attracted much attention in the biomedical field, and today various imaging applications make use of their versatile magnetic and luminescence properties. In this minireview, we give insight into the mechanistic aspects that allow modulation of the relaxation or chemical exchange saturation transfer (CEST) features, and thus the magnetic resonance imaging (MRI) efficiency of paramagnetic lanthanide chelates in order to create agents that are capable of providing an MRI response as a function of a specific biomarker. We focus on the detection of neurotransmitters, enzymatic activities, and amyloid peptides. We also describe two selected theranostic strategies: 1) a novel approach directed at monitoring drug release from liponanoparticles and 2) molecular or nanoparticle probes for the MRI visualization of photosensitizer delivery in photodynamic therapy.
Phase 1/2 study of rilotumumab (AMG 102), a hepatocyte growth factor inhibitor, and erlotinib in patients with advanced non–small cell lung cancer
Authors: Tarhini Ahmad A. , Rafique Imran , Floros Theofanis , Tran Phu , Gooding William E. , Villaruz Liza C. , Burns Timothy F. , Friedland David M. , Petro Daniel P. , Farooqui Mariya , Gomez‐Garcia Jose , Gaither‐Davis Autumn , Dacic Sanja , Argiris Athanassios , Socinski Mark A , Stabile Laura P. , Siegfried Jill M.
Published: May 2017

BACKGROUND

Activation of the mesenchymal‐epidermal transition factor (MET) tyrosine kinase and its ligand, hepatocyte growth factor (HGF), is implicated in resistance to epidermal growth factor receptor (EGFR) inhibitors. In this phase 1/2 trial, rilotumumab (an anti‐HGF antibody) combined with erlotinib was evaluated in patients with metastatic, previously treated non–small cell lung cancer.

METHODS

In phase 1, a dose de‐escalation design was adopted with rilotumumab starting at 15 mg/kg intravenously every 3 weeks and oral erlotinib 150 mg daily. In phase 2, the disease control rate (DCR) (according to Response Evaluation Criteria in Solid Tumors) of the combination was evaluated using a Simon 2‐stage design. The biomarkers examined included 10 plasma‐circulating molecules associated with the EGFR and MET pathways.

RESULTS

Without indications for de‐escalation, the recommended phase 2 dose was dose level 0. Overall, 45 response‐evaluable patients were enrolled (13 with squamous carcinoma, 32 with adenocarcinoma; 2 had confirmed EGFR mutations, 33 had confirmed wild‐type [WT] EGFR, and 7 had KRAS mutations). The DCR for all patients was 60% (90% confidence interval [CI], 47.1%‐71.3%). Median progression‐free survival was 2.6 months (90% CI, 1.4‐2.7 months), and median overall survival was 6.6 months (90% CI, 5.6‐8.9 months). Among patients with WT EGFR, the DCR was 60.6% (90% CI, 46.3%‐73.3%), median progression‐free survival was 2.6 months (90% CI, 1.4‐2.7 months), and median overall survival was 7.0 months (90% CI, 5.6‐13.4 months). Elevated baseline levels of neuregulin 1 were associated with longer progression‐free survival (hazard ratio, 0.41; 95% CI, 0.19‐0.87), whereas elevated amphiregulin levels were associated with more rapid progression (hazard ratio, 2.14; 95% CI, 1.48‐3.08).

CONCLUSIONS

Combined rilotumumab and erlotinib had an acceptable safety profile, and the DCR met the prespecified criteria for success. In the EGFR WT group, the DCR exceeded published reports for erlotinib alone. High circulating levels of neuregulin 1 may indicate sensitivity to this combination. Cancer 2017;123:2936–44. © 2017 American Cancer Society.
The persistent promise of combining HGF/MET and EGFR inhibition in non‐small cell lung cancer
Authors: Chuang Jody C. , Neal Joel W.
Published: May 2017

Hepatocyte growth factor/mesenchymal‐epidermal transition factor (MET) dysregulation is a viable target in non‐small cell lung cancer, both alone and potentially in combination with epidermal growth factor receptor inhibition. Future trials involving epidermal growth factor receptor and MET inhibitors should focus on more selected patient populations and include relevant biomarker studies.

See also pages 2936‐44.
Cost‐effectiveness of human papillomavirus vaccination for adolescent girls in Punjab state: Implications for India's universal immunization program
Authors: Prinja Shankar , Bahuguna Pankaj , Faujdar Dharmjeet Singh , Jyani Gaurav , Srinivasan Radhika , Ghoshal Sushmita , Suri Vanita , Singh Mini P. , Kumar Rajesh
Published: May 2017

BACKGROUND

Introduction of human papillomavirus (HPV) vaccination for adolescent girls is being considered in the Punjab state of India. However, evidence regarding cost‐effectiveness is sought by policy makers when making this decision. The current study was undertaken to evaluate the incremental cost per quality‐adjusted life‐years (QALYs) gained with introduction of the HPV vaccine compared with a no‐vaccination scenario.

METHODS

A static progression model, using a combination of decision tree and Markov models, was populated using epidemiological, cost, coverage, and effectiveness data to determine the cost‐effectiveness of HPV vaccination. Using a societal perspective, lifetime costs and consequences (in terms of QALYs) among a cohort of 11‐year‐old adolescent girls in Punjab state were modeled in 2 alternate scenarios with and without vaccination. All costs and consequences were discounted at a rate of 3%.

RESULTS

Although immunizing 1 year's cohort of 11‐year‐old girls in Punjab state costs Indian National Rupees (INR) 135 million (US dollars [USD] 2.08 million and International dollars [Int$] 6.25 million) on an absolute basis, its net cost after accounting for treatment savings is INR 38 million (USD 0.58 million and Int$ 1.76 million). Incremental cost per QALY gained for HPV vaccination was found to be INR 73 (USD 1.12 and Int$ 3.38). Given all the data uncertainties, there is a 90% probability for the vaccination strategy to be cost‐effective in Punjab state at a willingness‐to‐pay threshold of INR 10,000, which is less than one‐tenth of the per capita gross domestic product.

CONCLUSIONS

HPV vaccination appears to be a very cost‐effective strategy for Punjab state, and is likely to be cost‐effective for other Indian states. Cancer 2017;123:3253‐60. © 2017 American Cancer Society.
Hispanics have the lowest stem cell transplant utilization rate for autologous hematopoietic cell transplantation for multiple myeloma in the United States: A CIBMTR report
Authors: Schriber Jeffrey R. , Hari Parameswaran N. , Ahn Kwang Woo , Fei Mingwei , Costa Luciano J. , Kharfan‐Dabaja Mohamad A. , Angel‐Diaz Miguel , Gale Robert P. , Ganguly Siddharatha , Girnius Saulius K. , Hashmi Shahrukh , Pawarode Attaphol , Vesole David H. , Wiernik Peter H. , Wirk Baldeep M. , Marks David I. , Nishihori Taiga , Olsson Richard F. , Usmani Saad Z. , Mark Tomer M. , Nieto Yago L. , D'Souza Anita
Published: May 2017

BACKGROUND

Race/ethnicity remains an important barrier in clinical care. The authors investigated differences in the receipt of autologous hematopoietic cell transplantation (AHCT) among patients with multiple myeloma (MM) and outcomes based on race/ethnicity in the United States.

METHODS

The Center for International Blood and Marrow Transplant Research database was used to identify 28,450 patients who underwent AHCT for MM from 2008 through 2014. By using data from the National Cancer Institute's Surveillance, Epidemiology, and End Results 18 registries, the incidence of MM was calculated, and a stem cell transplantation utilization rate (STUR) was derived. Post‐AHCT outcomes were analyzed among patients ages 18 to 75 years who underwent melphalan‐conditioned peripheral cell grafts (N = 24,102).

RESULTS

The STUR increased across all groups from 2008 to 2014. The increase was substantially lower among Hispanics (range, 8.6%‐16.9%) and non‐Hispanic blacks (range, 12.2%‐20.5%) compared with non‐Hispanic whites (range, 22.6%‐37.8%). There were 18,046 non‐Hispanic whites, 4123 non‐Hispanic blacks, and 1933 Hispanic patients. The Hispanic group was younger (P < .001). Fewer patients older than 60 years underwent transplantation among Hispanics (39%) and non‐Hispanic blacks (42%) compared with non‐Hispanic whites (56%). A Karnofsky score <90% and a hematopoietic cell transplantation comorbidity index score >3 were more common in non‐Hispanic blacks compared with Hispanic and non‐Hispanic whites (P < .001). More Hispanics (57%) versus non‐Hispanic blacks (54%) and non‐Hispanic whites (52%; P < .001) had stage III disease. More Hispanics (48%) versus non‐Hispanic blacks (45%) and non‐Hispanic whites (44%) had a very good partial response or better before transplantation (P = .005). Race/ethnicity did not impact post‐AHCT outcomes.

CONCLUSIONS

Although the STUR increased, it remained low and was significantly lower among Hispanics followed by non‐Hispanic blacks compared with non‐Hispanic whites. Race/ethnicity did not impact transplantation outcomes. Efforts to increase the rates of transplantation for eligible patients who have MM, with an emphasis on groups that underuse transplantation, are warranted. Cancer 2017;123:3141–9. © 2017 American Cancer Society.
Implementation of Multivariable Logic Functions in Parallel by Electrically Addressing a Molecule of Three Dopants in Silicon
Authors: Fresch Barbara , Bocquel Juanita , Hiluf Dawit , Rogge Sven , Levine Raphael D. , Remacle Françoise
Published: May 2017

To realize low‐power, compact logic circuits, one can explore parallel operation on single nanoscale devices. An added incentive is to use multivalued (as distinct from Boolean) logic. Here, we theoretically demonstrate that the computation of all the possible outputs of a multivariate, multivalued logic function can be implemented in parallel by electrical addressing of a molecule made up of three interacting dopant atoms embedded in Si. The electronic states of the dopant molecule are addressed by pulsing a gate voltage. By simulating the time evolution of the non stationary electronic density built by the gate voltage, we show that one can implement a molecular decision tree that provides in parallel all the outputs for all the inputs of the multivariate, multivalued logic function. The outputs are encoded in the populations and in the bond orders of the dopant molecule, which can be measured using an STM tip. We show that the implementation of the molecular logic tree is equivalent to a spectral function decomposition. The function that is evaluated can be field‐programmed by changing the time profile of the pulsed gate voltage.
Carbon Dioxide Adsorption on CeO2(110): An XPS and NEXAFS Study
Authors: Yang Chengwu , Bebensee Fabian , Chen Jun , Yu Xiaojuan , Nefedov Alexei , Wöll Christof
Published: May 2017

The adsorption of CO2 on the surface of a CeO2(110) bulk single crystal was studied by X‐ray photoelectron spectroscopy (XPS) and near‐edge X‐ray absorption fine structure (NEXAFS) spectroscopy. The high‐quality XPS and C K‐edge NEXAFS data show that CO2 adsorbs as a carbonate species on both fully oxidized CeO2(110) and partially reduced CeO2−x(110). No evidence for the formation of a carboxylate (CO2δ−) intermediate could be found. On the fully oxidized CeO2(110) substrate, the carbonate decomposes upon heating to above 400 K, leading to the desorption of CO2. The NEXAFS data reveal the presence of a minor amount of formate (or carboxylate) and bicarbonate species, which are related to reactions of CO2 with surface hydroxyl groups. In the case of reduced CeO2−x(110), the carbonate species completely disappear upon heating to temperatures above 500 K. In contrast to conclusions presented in earlier works, the oxidation state of the surface is unchanged, that is, CO2 does not re‐oxidize the reduced CeO2−x(110) surface.
Strain and particle size analysis in ion beam synthesized SiC nanoparticles using Raman scattering studies
Authors: Saravanan K. , Jayalakshmi G. , Panigrahi B. K. , Hübner René
Published: May 2017

We study the strain and particle size analysis of ion beam synthesized SiC nanoparticles (NPs) embedded in Si matrix using Raman and low‐frequency Raman scattering (LFRS). 300 keV C+ ions with the fluence of 2 × 1017 ions/cm2 were implanted on Si substrate at three different substrate temperatures (300, 500 and 650 °C). Raman scattering analyses confirm the formation of 3C‐SiC NPs in Si matrix. Relative strain in 3C‐SiC NPs estimated from Raman scattering was found to be decreases with increase of substrate temperature. The particle size distribution of 3C‐SiC NPs was estimated from the signature of localized acoustic phonon modes observed in the low frequency region of LFRS spectra. The estimated particle size of the SiC is found to be in good agreement with the TEM analysis.
Diagnostic utility of fine‐needle aspiration cytology of lesions involving bone
Authors: Yu Gordon H. , Maisel Julia , Frank Renee , Pukenas Bryan A. , Sebro Ronnie , Weber Kristy
Published: May 2017

Background

Fine‐needle aspiration (FNA) is utilized in the diagnostic work‐up of bone lesions in a number of institutions, either in isolation or in conjunction with core biopsy. We report our experience with FNA of bone‐based lesions, including comparison of this approach with concurrent core biopsy specimens.

Methods

Retrospective review over a 5‐year period (2011–2015) revealed 233 cases of bone FNAs.

Results

The most commonly encountered diagnosis was malignant neoplasm (160 cases, 68.7%); within this group of malignancies, 103 cases (64.4%) represented metastatic carcinoma. Benign lesions were encountered infrequently (9 cases, 3.9%). While 37 cases (15.9%) revealed “no evidence of malignancy,” 12 cases (5.2%) showed atypical findings, 3 cases (1.3%) demonstrated inflammatory conditions, and 12 aspiration biopsies were deemed nondiagnostic (5.2%). In 202 cases, concurrent core biopsies were performed following FNA and rapid on‐site evaluation (ROSE). Comparison of the FNA and core biopsy diagnoses among malignant neoplasms revealed 19 diagnostic discrepancies, including 16 cases with a false‐negative FNA (7.9% of all FNAs with concurrent core biopsy) and 3 cases with a false‐negative core biopsy (1.5% of all cases with corresponding FNA).

Conclusion

Our findings indicate that FNA of bone lesions is a useful diagnostic technique with high sensitivity, particularly when the cytologic findings are interpreted in conjunction with the core biopsy and pertinent clinical and radiologic findings. In addition, ROSE followed by open, dynamic communication with the performing radiologist leads to an extremely low rate of inadequate core biopsy specimens, resulting in optimal patient diagnosis and management. Diagn. Cytopathol. 2017;45:608–613. © 2017 Wiley Periodicals, Inc.
Psychological Well‐being Trajectories of Individuals with Dyslexia Aged 3–11 Years
Authors: Jordan Julie‐Ann , Dyer Kevin
Published: May 2017

Dyslexia has been associated with a range of psychological well‐being issues in childhood. However, it is unclear if these difficulties stem from coping with academic struggles at school, or from other pre‐existing diagnoses that sometimes co‐occur with dyslexia. Using UK Millennium Cohort Study data (n = 7224) from 2003 to 2011, the present study compared psychological well‐being development from ages 3–11 years for children with (1) dyslexia only; (2) special educational needs excluding dyslexia; (3) comorbid dyslexia and other special educational needs; and (4) no special educational needs. Growth curve modelling results controlling for race, gender, age and family income suggested that with the exception of conduct difficulties, psychological well‐being issues related to dyslexia do not occur preschool; rather, they commence upon starting school. Copyright © 2017 John Wiley & Sons, Ltd.
Word Decoding Development during Phonics Instruction in Children at Risk for Dyslexia
Authors: Schaars Moniek M.H. , Segers Eliane , Verhoeven Ludo
Published: May 2017

In the present study, we examined the early word decoding development of 73 children at genetic risk of dyslexia and 73 matched controls. We conducted monthly curriculum‐embedded word decoding measures during the first 5 months of phonics‐based reading instruction followed by standardized word decoding measures halfway and by the end of first grade. In kindergarten, vocabulary, phonological awareness, lexical retrieval, and verbal and visual short‐term memory were assessed. The results showed that the children at risk were less skilled in phonemic awareness in kindergarten. During the first 5 months of reading instruction, children at risk were less efficient in word decoding and the discrepancy increased over the months. In subsequent months, the discrepancy prevailed for simple words but increased for more complex words. Phonemic awareness and lexical retrieval predicted the reading development in children at risk and controls to the same extent. It is concluded that children at risk are behind their typical peers in word decoding development starting from the very beginning. Furthermore, it is concluded that the disadvantage increased during phonics instruction and that the same predictors underlie the development of word decoding in the two groups of children. © 2017 The Authors Dyslexia Published by John Wiley & Sons Ltd.
Early events in speciation: Cryptic species of Drosophila aldrichi
Authors: Castro Vargas Cynthia , Richmond Maxi Polihronakis , Ramirez Loustalot Laclette Mariana , Markow Therese Ann
Published: May 2017

Understanding the earliest events in speciation remains a major challenge in evolutionary biology. Thus identifying species whose populations are beginning to diverge can provide useful systems to study the process of speciation. Drosophila aldrichi, a cactophilic fruit fly species with a broad distribution in North America, has long been assumed to be a single species owing to its morphological uniformity. While previous reports either of genetic divergence or reproductive isolation among different D. aldrichi strains have hinted at the existence of cryptic species, the evolutionary relationships of this species across its range have not been thoroughly investigated. Here we show that D. aldrichi actually is paraphyletic with respect to its closest relative, Drosophila wheeleri, and that divergent D. aldrichi lineages show complete hybrid male sterility when crossed. Our data support the interpretation that there are at least two species of D. aldrichi, making these flies particularly attractive for studies of speciation in an ecological and geographical context.
Extra corporeal membrane oxygenation in the therapy of cardiogenic shock (ECMO‐CS): rationale and design of the multicenter randomized trial
Authors: Ostadal Petr , Rokyta Richard , Kruger Andreas , Vondrakova Dagmar , Janotka Marek , Smíd Ondrej , Smalcova Jana , Hromadka Milan , Linhart Ales , Bělohlávek Jan
Published: May 2017

Aims

Extracorporeal membrane oxygenation (ECMO) in veno‐arterial configuration represents an increasingly used method for circulatory support. ECMO in cardiogenic shock offers rapid improvement of circulatory status and significant increase in tissue perfusion. Current evidence on the use of ECMO in cardiogenic shock remains insufficient. The aim of the ECMO‐CS trial is to compare two recognized therapeutic approaches in the management of severe cardiogenic shock: early conservative therapy and early implantation of veno‐arterial ECMO on the background of standard care.

Methods

Eligible patients have either rapidly deteriorating or severe cardiogenic shock, defined using echocardiography, hemodynamic and metabolic criteria. Patients are randomized to the one of two arms: immediate veno‐arterial ECMO therapy or early conservative therapy. All other diagnostic and therapeutic procedures are performed as per current standard of care, including other cardiovascular interventions (i.e. percutaneous coronary intervention or cardiac surgery). Follow‐up includes visits at 30 days, 6 months and 12 months. Primary endpoint is a composite of death from any cause, resuscitated circulatory arrest, and implantation of another mechanical circulatory support device at 30 days. The sample size of 120 individuals (60 in each arm) provides 80% power to detect 50% reduction of primary endpoint, at alpha = 0.05. Patient recruitment started in October 2014.

Conclusion

The results of the ECMO‐CS trial may significantly influence current practice in the management of patients with severe and rapidly deteriorating cardiogenic shock. ECMO‐CS trial registration number is NCT02301819.
Smart Design of Small Pd Nanoparticles Confined in Hollow Carbon Nanospheres with Large Center‐Radial Mesopores
Authors: Du Xin , Zhao Caixia , Li Xiaoyu , Huang Hongwei , He Junhui , Wen Yongqiang , Zhang Xueji
Published: May 2017

Invited for the cover of this issue is the group of Xueji Zhang from the University of Science & Technology Beijing, China. The cover image shows the smart synthesis of porous hollow carbon nanospheres containing many small Pd nanoparticles with excellent catalytic performance.
Spin‐State‐Dependent Redox‐Catalytic Activity of a Switchable Iron(II) Complex
Authors: Gural'skiy Il'ya A. , Shylin Sergii I. , Ksenofontov Vadim , Tremel Wolfgang
Published: May 2017

The spin state of catalytically active 3d metal centers plays a significant role in their activity in enzymatic processes and organometallic catalysis. Here the catalytic activity of an FeII coordination compound that can undergo a cooperative switch between low‐spin (LS) and high‐spin (HS) states is reported. Catalytic measurements in the temperature range 291–318 K revealed a drastic drop of the catalytic activity on conversion of the metal centers from the LS to the HS form. For thermoswitchable complex [Fe(NH2trz)3]Br2 (NH2trz = 4‐amino‐1,2,4‐tiazole; Tup = 305 K), the activation energy is found to be considerably lower for the LS state (158 kJ mol–1) compared to the HS state (305 kJ mol–1). Mössbauer analysis revealed that this is related to higher conversion of the LS complex on oxidation. Comparisons with another polymorph of [Fe(NH2trz)3]Br2 (Tup = 301 K) and [Fe(NH2trz)3](ClO4)2 (Tup = 240 K) are made. These results show the potential of spin‐crossover compounds to compare the catalytic activity of different spin states of the same material when other means of differentiation are limited.
Metal‐Catalyzed Direct C–H Fluoroalkenylation of Pyridine N‐Oxides and Related Derivatives
Authors: Lehecq Alexis , Rousée Kevin , Schneider Cédric , Levacher Vincent , Hoarau Christophe , Pannecoucke Xavier , Bouillon Jean‐Philippe , Couve‐Bonnaire Samuel
Published: May 2017

The copper‐ and palladium/copper‐catalyzed direct C–H fluoroalkenylation of pyridine N‐oxides and related heterocycles using various gem‐bromofluoroalkenes as electrophiles is reported. The dimetallic palladium/copper process proved to be more efficient than copper catalysis, giving access to various relevant 2‐fluoroalkenylated azines.
SIMONI (Smart Integrated Monitoring) as a novel bioanalytical strategy for water quality assessment: Part I–model design and effect-based trigger values
Authors: van der Oost Ron , Sileno Giulia , Suárez-Muñoz Maria , Nguyen Mai Thao , Besselink Harrie , Brouwer Abraham
Published: May 2017

It is virtually impossible to reliably assess water quality with target chemical analyses only. Therefore, a complementary effect-based risk assessment by bioanalyses on mixtures of bioavailable micropollutants is proposed: the Smart Integrated Monitoring (SIMONI) strategy. The goal of this strategy is to obtain more reliable information on the water quality to select optimum measures for improvement. The SIMONI strategy is 2-tiered. Tier 1 is a bioanalytical hazard identification of sites. A tier 2 ecological risk assessment is carried out only at a limited number of sites where increased hazards are detected in tier 1. Tier 2 will be customized, based on tier 1 evaluation and additional knowledge of the aquatic system. The present study focuses on the tier 1 bioanalytical hazard identification to distinguish “hot spots” of chemical pollution. First, a selection was made of relevant and cost-effective bioanalytical endpoints to cover a wide spectrum of micropollutant modes of action. Specific endpoints may indicate which classes of chemicals might cause adverse effects. Second, effect-based trigger values (EBT) were derived for these bioassays to indicate potential ecological risks. Comparison of EBT with bioassay responses should discriminate sites exhibiting different chemical hazards. Third, a model was designed to estimate the overall risks for aquatic ecosystems. The associated follow-up for risk management is a “toxicity traffic light” system: green, low hazard (no action required); orange, potential risk (further research needed); and red, high risk (mitigation measures). Thanks to cost-effectiveness, flexibility, and relevance, the SIMONI strategy has the potential to become the first bioanalytical tool to be applied in regular water quality monitoring programs. Environ Toxicol Chem 2017;36:2385–2399. © 2017 SETAC
Gray Matter Abnormalities in Idiopathic Parkinson's Disease: Evaluation by Diffusional Kurtosis Imaging and Neurite Orientation Dispersion and Density Imaging
Authors: Kamagata Koji , Zalesky Andrew , Hatano Taku , Ueda Ryo , Di Biase Maria Angelique , Okuzumi Ayami , Shimoji Keigo , Hori Masaaki , Caeyenberghs Karen , Pantelis Christos , Hattori Nobutaka , Aoki Shigeki
Published: May 2017

Mapping gray matter (GM) pathology in Parkinson's disease (PD) with conventional MRI is challenging, and the need for more sensitive brain imaging techniques is essential to facilitate early diagnosis and assessment of disease severity. GM microstructure was assessed with GM‐based spatial statistics applied to diffusion kurtosis imaging (DKI) and neurite orientation dispersion imaging (NODDI) in 30 participants with PD and 28 age‐ and gender‐matched controls. These were compared with currently used assessment methods such as diffusion tensor imaging (DTI), voxel‐based morphometry (VBM), and surface‐based cortical thickness analysis. Linear discriminant analysis (LDA) was also used to test whether subject diagnosis could be predicted based on a linear combination of regional diffusion metrics. Significant differences in GM microstructure were observed in the striatum and the frontal, temporal, limbic, and paralimbic areas in PD patients using DKI and NODDI. Significant correlations between motor deficits and GM microstructure were also noted in these areas. Traditional VBM and surface‐based cortical thickness analyses failed to detect any GM differences. LDA indicated that mean kurtosis (MK) and intra cellular volume fraction (ICVF) were the most accurate predictors of diagnostic status. In conclusion, DKI and NODDI can detect cerebral GM abnormalities in PD in a more sensitive manner when compared with conventional methods. Hence, these methods may be useful for the diagnosis of PD and assessment of motor deficits. Hum Brain Mapp 38:3704–3722, 2017. © 2017 Wiley Periodicals, Inc.
Iron catalysis at the origin of life
Authors: Camprubi Eloi , Jordan Sean F. , Vasiliadou Rafaela , Lane Nick
Published: May 2017

Iron–sulphur proteins are ancient and drive fundamental processes in cells, notably electron transfer and CO2 fixation. Iron–sulphur minerals with equivalent structures could have played a key role in the origin of life. However, the ‘iron–sulphur world’ hypothesis has had a mixed reception, with questions raised especially about the feasibility of a pyrites‐pulled reverse Krebs cycle. Phylogenetics suggests that the earliest cells drove carbon and energy metabolism via the acetyl CoA pathway, which is also replete in Fe(Ni)S proteins. Deep differences between bacteria and archaea in this pathway obscure the ancestral state. These differences make sense if early cells depended on natural proton gradients in alkaline hydrothermal vents. If so, the acetyl CoA pathway diverged with the origins of active ion pumping, and ancestral CO2 fixation might have been equivalent to methanogens, which depend on a membrane‐bound NiFe hydrogenase, energy converting hydrogenase. This uses the proton‐motive force to reduce ferredoxin, thence CO2. The mechanism suggests that pH could modulate reduction potential at the active site of the enzyme, facilitating the difficult reduction of CO2 by H2. This mechanism could be generalised under abiotic conditions so that steep pH differences across semi‐conducting Fe(Ni)S barriers drives not just the first steps of CO2 fixation to C1 and C2 organics such as CO, CH3SH and CH3COSH, but a series of similar carbonylation and hydrogenation reactions to form longer chain carboxylic acids such as pyruvate, oxaloacetate and α‐ketoglutarate, as in the incomplete reverse Krebs cycle found in methanogens. We suggest that the closure of a complete reverse Krebs cycle, by regenerating acetyl CoA directly, displaced the acetyl CoA pathway from many modern groups. A later reliance on acetyl CoA and ATP eliminated the need for the proton‐motive force to drive most steps of the reverse Krebs cycle. © 2017 The Authors IUBMB Life published by Wiley Periodicals, Inc. on behalf of International Union of Biochemistry and Molecular Biology, 69(6):373–381, 2017
In Vitro Antitumor Effects of AHR Ligands Aminoflavone (AFP 464) and Benzothiazole (5F 203) in Human Renal Carcinoma Cells
Authors: Luzzani Gabriela A. , Callero Mariana A. , Kuruppu Anchala I. , Trapani Valentina , Flumian Carolina , Todaro Laura , Bradshaw Tracey D. , Loaiza Perez Andrea I.
Published: May 2017

We investigated activity and mechanism of action of two AhR ligand antitumor agents, AFP 464 and 5F 203 on human renal cancer cells, specifically examining their effects on cell cycle progression, apoptosis, and migration. TK‐10, SN12C, Caki‐1, and ACHN human renal cancer cell lines were treated with AFP 464 and 5F 203. We evaluated cytotoxicity by MTS assays, cell cycle arrest, and apoptosis by flow cytometry and corroborated a mechanism of action involving AhR signal transduction activation. Changes in migration properties by wound healing assays were investigated: 5F 203‐sensitive cells show decreased migration after treatment, therefore, we measured c‐Met phosphorylation by Western blot in these cells. A 5F 203 induced a decrease in cell viability which was more marked than AFP 464. This cytotoxicity was reduced after treatment with the AhR inhibitor α‐NF for both compounds indicating AhR signaling activation plays a role in the mechanism of action. A 5F 203 is sequestered by TK‐10 cells and induces CYP1A1 expression; 5F 203 potently inhibited migration of TK‐10, Caki‐1, and SN12C cells, and inhibited c‐Met receptor phosphorylation in TK‐10 cells. AhR ligand antitumor agents AFP 464 and 5F 203 represent potential new candidates for the treatment of renal cancer. A 5F 203 only inhibited migration of sensitive cells and c‐Met receptor phosphorylation in TK‐10 cells. c‐Met receptor signal transduction is important in migration and metastasis. Therefore, we consider that 5F 203 offers potential for the treatment of metastatic renal carcinoma. J. Cell. Biochem. 118: 4526–4535, 2017. © 2017 Wiley Periodicals, Inc.