bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Iridium‐Catalyzed Methylation of Indoles and Pyrroles Using Methanol as Feedstock.
Authors: Chen Shu‐Jie , Lu Guo‐Ping , Cai Chun
Published: December 2015

While indoles are regioselectively mono‐methylated at C‐3, pyrroles give mixtures of mono‐, di‐, and (in the case of unsubstituted pyrrole) polymethylated products.
ChemInform Abstract: Synthesis of Indoles by Palladium‐Catalyzed Reductive Cyclization of β‐Nitrostyrenes with Carbon Monoxide as the Reductant.
Authors: Ferretti Francesco , EL‐Atawy Mohamed A. , Muto Stefania , Hagar Mohamed , Gallo Emma , Ragaini Fabio
Published: December 2015

The optimized conditions are applied to the preparation of a series of 2‐ or 3‐substituted indole structures bearing additional functions at the arene part.
ChemInform Abstract: Magnetically Separable Sulfonic Acid Catalyzed One‐Pot Synthesis of Diverse Indole Derivatives.
Authors: Kothandapani Jagatheeswaran , Ganesan Asaithampi , Ganesan Subramaniapillai Selva
Published: December 2015

The catalyst is applied in the preparation of 3‐(diarylmethyl)indoles and 3,3′‐di(indolyl)oxindole and is reused in five consecutive reaction cycles with slight loss of its activity.
ChemInform Abstract: nBu4NI‐Catalyzed Intermolecular C—O Cross‐Coupling Reactions: Synthesis of Alkyloxyamines.
Authors: Lv Yunhe , Sun Kai , Wang Tingting , Li Gang , Pu Weiya , Chai Nannan , Shen Huihui , Wu Yingtao
Published: December 2015

Various benzylic and allylic hydrocarbons are highly regioselectively coupled with N‐hydroxyphthalimide using TBHP as inexpensive and environmentally friendly oxidant.
ChemInform Abstract: Rh‐Catalyzed Cyclization of 3‐Aryloxycarbonyldiazonaphthoquinones for the Synthesis of β‐Phenylnaphthalene Lactones and Formal Synthesis of Pradimicinone.
Authors: Kitamura Mitsuru , Takahashi Shuhei , Okauchi Tatsuo
Published: December 2015

This method is used in the preparation of pradimicinone precursor (X).
ChemInform Abstract: RhIII‐Catalyzed C—H Activation with Pyridotriazoles: Direct Access to Fluorophores for Metal‐Ion Detection.
Authors: Kim Ju Hyun , Gensch Tobias , Zhao Dongbing , Stegemann Linda , Strassert Cristian A. , Glorius Frank
Published: December 2015

Substituted pyridines and isoquinoline (VI) are used as coupling partners under conditions A).
ChemInform Abstract: Synthesis of Novel Cyano Quinoline Derivatives.
Authors: Oekten Salih , Cakmak Osman
Published: December 2015

Bromine substituted quinoline derivatives (I) and (V) are converted into cyano quinolines via nucleophilic substitution reactions with CuCN.
ChemInform Abstract: Rhodium‐Catalyzed C—H Activation of Hydrazines Leads to Isoquinolones with Tunable Aggregation‐Induced Emission Properties.
Authors: Yu Bole , Chen Ying , Hong Mei , Duan Pingping , Gan Shifeng , Chao Hui , Zhao Zujin , Zhao Jing
Published: December 2015

A variety of isoquinolones (III) and (V) is readily obtained by a Rh‐catalyzed reaction of benzoylhydrazines with the corresponding alkynes (II) and (IV), respectively.
ChemInform Abstract: Acid/Base‐Controlled Chemodivergent Synthesis of Two Differently Functionalized Tetrahydroimidazo[1,2‐a]pyridines.
Authors: Guo Wei‐Si , Xin Xing , Zhao Ke‐Long , Wen Li‐Rong , Li Ming
Published: December 2015

Altering the reaction conditions in the second step from basic to acidic medium changes the selectivity of the reaction.
ChemInform Abstract: Iron‐Catalyzed Four‐Member Multicomponent Reaction for Assembly of (E)‐6‐Arylvinyl‐3,4‐dihydropyrimidin‐2(1H)‐ones.
Authors: Zhang Zhiguo , Zhang Lianqiang , Duan Xinyu , Yan Xiangqian , Yan Yan , Liu Qingfeng , Liu Tongxin , Zhang Guisheng
Published: December 2015

Starting from β‐ketoamides, urea, and various aryl aldehydes a scalable high‐yielding one‐step access to the title products is developed.
ChemInform Abstract: Synthesis of Quinoxalines or Quinolin‐8‐amines from N‐Propargyl Aniline Derivatives Employing Tin and Indium Chlorides.
Authors: Aichhorn Stefan , Himmelsbach Markus , Schoefberger Wolfgang
Published: December 2015

The intramolecular annulation of N‐propargyl anilides (I) gives rise to 2‐methylquinoxalines (II), whilst internal alkynes (V) afford quinoline‐8‐amines (VI).
ChemInform Abstract: Steroidal and α‐Tocopherylhydroquinone Glycosides from Two Soft Corals Cladiella hirsuta and Sinularia nanolobata.
Authors: Chao Chih‐Hua , Huang Tzu‐Zin , Wu Chia‐Yun , Chen Bo‐Wei , Huang Chiung‐Yao , Hwang Tsong‐Long , Dai Chang‐Feng , Sheu Jyh‐Horng
Published: December 2015

Hirsutosterosides A (Ia) and B (Ib), cladophenol glycosides A (IIa) and B (IIb) and lobatasteroside A (III) together with six known compounds are isolated from the title corals.
ChemInform Abstract: Metal‐Catalyzed Cross‐Coupling Reactions of Aminopyridines
Authors: Dias Pires Marina J. , Poeira Diogo L. , Marques M. Manuel B.
Published: December 2015

Review: [183 refs.
ChemInform Abstract: Two‐Dimensional Nanomaterials for Biomedical Applications: Emerging Trends and Future Prospects
Authors: Chimene David , Alge Daniel L. , Gaharwar Akhilesh K.
Published: December 2015

Review: [115 refs.
ChemInform Abstract: Introduction for Solid State Membranes for Bio‐Molecules Sensing and Manipulation
Authors: Leburton Jean‐Pierre , Di Ventra Massimiliano
Published: December 2015

Review: introduction to a special issue of the Journal of Computational Electronics with about 30 articles devoted to the “Computational Approaches to Solid State Membranes for DNA sensing/sequencing”
Ginkgolide
Authors: Schäfer Bernd
Published: December 2015

Die Ginkgolide sind neben dem Bilobalid und einer Reihe an Flavonoiden die wichtigsten Wirkstoffe des Ginkgo‐Baums (Ginkgo biloba). Sie entstammen dem Terpenstoffwechsel und werden durch Zyklisierung von Geranylgeranyldiphosphat, oxidativer Funktionalisierung und Gerüstumlagerungen aufgebaut. Prominente Totalsynthesen des Ginkgolides B wurden von Elias J. Corey und Michael T. Crimmins publiziert. Willmar Schwabe III entwickelte in den 1950er Jahren einen Extrakt der getrockneten Blätter, der verschiedene Ginkgolide, Bilobalid und Flavonoide in angereicherter Form enthält. Dieser wird zur symptomatischen Behandlung von Gedächtnis‐ und Konzentrationsstörungen, Schwindel, Tinnitus und Demenz verwendet.
Neue Ansätze gegen Alzheimer
Authors: John Torsten
Published: December 2015

In den Gehirnen von Alzheimer‐Patienten aggregieren vermehrt amyloide Peptide. Diese Ablagerungen verursachen Gedächtnis‐ und Orientierungsstörungen bei älteren Menschen. Neue Erkenntnisse verschiedener Forschergruppen weisen auf diverse Ansätze hin, wie man der Erkrankung begegnen kann. So haben Tierversuche gezeigt, dass Ultraschall diese Peptidablagerungen zerstört. Die Gedächtnisleistung der Mäuse verbesserte sich nach der Behandlung.
Enhanced NIR Luminescence of Nanozeolite L Loading Lanthanide β‐Diketonate Complexes
Authors: Liang Dong , Li Zhiqiang , Li Peng , Chen Yuhuan , Zhang Shuming , Wang Yige
Published: December 2015

Herein, we report the preparation of zeolite NIR luminescence materials with a remarkable increase of luminescence intensity by attaching stopper molecule (an imidazolium salt) to the channel entrances of zeolite L loading with NIR lanthanide (Er3+ or Nd3+) β‐diketonate complexes. This results from the formation of Ln3+‐β‐diketonate complexes (Ln=Er or Nd) with high coordination numbers through the decreasing of the proton strength in the zeolite channels. The obtained materials were characterized with SEM and photoluminescence spectroscopy. We believe that this hybrid material will be an appealing candidate for the applications of optical fiber, telecommunications and bio‐imaging.
A component lasso
Authors: Hussami Nadine , Tibshirani Robert J.
Published: December 2015

We propose a new sparse regression method called thecomponent lasso, based on a simple idea. The method uses the connected‐components structure of the sample covariance matrix to split the problem into smaller ones. It then applies the lasso to each subproblem separately, obtaining a coefficient vector for each one. Finally, it uses non‐negative least squares to recombine the different vectors into a single solution. This step is useful in selecting and reweighting components that are correlated with the response. We prove that the component lasso is strongly sign consistent in a block‐diagonal setting. Simulated and real data examples show that the component lasso can outperform standard regression methods such as the lasso and elastic net, achieving a lower mean squared error as well as better support recovery. The modular structure of the algorithm also lends itself naturally to parallel computation.The Canadian Journal of Statistics43: 624–646; 2015 © 2015 Statistical Society of Canada
Survivors of Aortic Dissection: Activity, Mental Health, and Sexual Function
Authors: Chaddha Ashish , Kline‐Rogers Eva , Braverman Alan C. , Erickson Steven R. , Jackson Elizabeth A. , Franklin Barry A. , Woznicki Elise M. , Jabara Justin T. , Montgomery Daniel G. , Eagle Kim A.
Published: December 2015

Background

Currently no research exists assessing lifestyle modifications and emotional state of acute aortic dissection (AAD) survivors. We sought to assess activity, mental health, and sexual function in AAD survivors.

Hypothesis

Physical and sexual activity will decrease in AAD survivors compared to pre‐dissection. Incidence of anxiety and depression will be significant after AAD.

Methods

A cross sectional survey was mailed to 197 subjects from a single academic medical center (part of larger IRAD database). Subjects were ≥18 years of age surviving a type A or B AAD between 1996 and 2011. 82 surveys were returned (overall response rate 42%).

Results

Mean age ± SD was 59.5 ± 13.7 years, with 54.9% type A and 43.9% type B patients. Walking remained the most prevalent form of physical activity (49 (60%) pre‐dissection and 47 (57%) post‐dissection). Physical inactivity increased from 14 (17%) before AAD to 20 (24%) after AAD; sexual activity decreased from 31 (38%) to 9 (11%) mostly due to fear. Most patients (66.7%) were not exerting themselves physically or emotionally at AAD onset. Systolic blood pressure (SBP) at 36 months post‐discharge for patients engaging in ≥2 sessions of aerobic activity/week was 126.67 ± 10.30 vs. 141.10 ± 11.87 (p‐value 0.012) in those who did not. Self‐reported new‐onset depression after AAD was 32% and also 32% for new‐onset anxiety.

Conclusions

Alterations in lifestyle and emotional state are frequent in AAD survivors. Clinicians should screen for unfounded fears or beliefs after dissection that may reduce function and/or quality of life for AAD survivors.
Angina in Coronary Artery Disease Patients With and Without Diabetes: US National Health and Nutrition Examination Survey 2001–2010
Authors: Hui Gavin , Koch Bruce , Calara Federico , Wong Nathan D.
Published: December 2015

Background

Angina pectoris (AP) is common in coronary artery disease (CAD), but whether those with diabetes mellitus (DM) experience AP as often as those without DM is unclear.

Hypothesis

AP prevalence is similar in those with vs without DM in a community sample with CAD.

Methods

In adults with CAD in the US NHANES 2001–2010, AP was determined by self‐report and Rose questionnaire and compared by DM status. Physical functioning and medication use were also evaluated.

Results

Of 1957 adults with CAD, 619 (28.2%) had DM. Prevalence of AP was similar in those with vs without DM (48.9% vs 46.3%; P = 0.38). There was a trend toward more severe AP in those with glycated hemoglobin ≥7% (50.4%) vs <7% (27.1%; P = 0.09). Adjusted logistic regression showed a similar odds of AP (1.06, 95% CI: 0.84‐1.33) in those with vs without DM, although among DM, a 2‐fold greater odds of AP in women vs men. Physical functioning was worse in those with vs without AP overall (score of 25.9 vs 24.3; P < 0.001) and further diminished within those with comorbid DM (26.7 vs 24.0; P < 0.001). Among those with AP, those with vs without DM were more likely on β‐blockers, statins, angiotensin‐converting enzyme inhibitors, and antiplatelet therapy.

Conclusions

AP in CAD patients is similar among those with vs without DM, despite greater use of evidence‐based therapies in DM patients. Greater physical limitations exist in those with vs without AP, and further diminish with comorbid DM.
Highly Concentrated Ethanol Solutions: Good Solvents for DNA as Revealed by Single‐Molecule Observation
Authors: Oda Yuki , Sadakane Koichiro , Yoshikawa Yuko , Imanaka Tadayuki , Takiguchi Kingo , Hayashi Masahito , Kenmotsu Takahiro , Yoshikawa Kenichi
Published: December 2015

We observed single DNA molecules at different ethanol concentrations by using fluorescence microscopy. Large single DNA molecules undergo reentrant conformational transitions from elongated coil into folded globule and then into elongated coil state, accompanied by the increase of the concentration of ethanol in a low‐salt aqueous environment. The second transition from globule into the coil state occurs at around 70 % (v/v) ethanol. From circular dichroism (CD) measurements, it is confirmed that the reentrant transition of the higher order structure proceeds together with the transitions of the secondary structure from B to C and, then, from C to A in a cooperative manner. The determined mechanism of the reentrant transition is discussed in relation to the unique characteristics of solutions with higher ethanol content, for which clathrate‐like nanostructures of alcohol molecules are generated in the surrounding water.
Far‐ and Deep‐UV Spectroscopy of Semiconductor Nanoparticles Measured Based on Attenuated Total Reflectance spectroscopy
Authors: Tanabe Ichiro , Yamada Yosuke , Ozaki Yukihiro
Published: December 2015

Far‐ and deep‐ultraviolet spectra (150–300 nm) of semiconductor nanoparticles (zinc oxide and zinc sulfide) are successfully measured by using attenuated total reflectance (ATR) spectroscopy, and analyzed using finite‐difference time‐domain (FDTD) simulations. The obtained spectra show good consistency with earlier synchrotron‐radiation spectra and with theoretical calculations. The FDTD simulation results show that the present system collected the correct spectra. In the present system, the obtained spectra are affected by the real part n of the complex refractive index more strongly than the imaginary part k. It is also revealed both experimentally and theoretically that spectral intensities of the semiconductor nanoparticles are approximately one tenth those of liquid samples. These results provide insights into the far‐ and deep‐ultraviolet spectroscopy based on the ATR system, and show the general applicability of our original ATR spectroscopy to semiconductor nanoparticles. The system needs neither high vacuum nor much space, and enables rapid and systematic investigation of the electronic states of various materials.
Pressure—A Gateway to Fundamental Insights into Protein Solvation, Dynamics, and Function
Authors: Luong Trung Quan , Kapoor Shobhna , Winter Roland
Published: December 2015

The front cover artwork is provided by the group of Prof. Roland Winter at TU Dortmund University. The image shows the effect of pressure on protein′s energy landscape, which is controlled by the hydration sphere. Read the full text of the article at 10.1002/cphc.201500669
Perovskite Solar Cells: Influence of Hole Transporting Materials on Power Conversion Efficiency
Authors: Ameen Sadia , Rub Malik Abdul , Kosa Samia A. , Alamry Khalid A. , Akhtar M. Shaheer , Shin Hyung‐Shik , Seo Hyung‐Kee , Asiri Abdullah M. , Nazeeruddin Mohammad Khaja
Published: December 2015

The recent advances in perovskite solar cells (PSCs) created a tsunami effect in the photovoltaic community. PSCs are newfangled high‐performance photovoltaic devices with low cost that are solution processable for large‐scale energy production. The power conversion efficiency (PCE) of such devices experienced an unprecedented increase from 3.8 % to a certified value exceeding 20 %, demonstrating exceptional properties of perovskites as solar cell materials. A key advancement in perovskite solar cells, compared with dye‐sensitized solar cells, occurred with the replacement of liquid electrolytes with solid‐state hole‐transporting materials (HTMs) such as 2,2′,7,7′‐tetrakis‐(N,N‐di‐4‐methoxyphenylamino)‐9,9′‐spirobifluorene (Spiro‐OMeTAD), which contributed to enhanced PCE values and improved the cell stability. Following improvements in the perovskite crystallinity to produce a smooth, uniform morphology, the selective and efficient extraction of positive and negative charges in the device dictated the PCE of PSCs. In this Review, we focus mainly on the HTMs responsible for hole transport and extraction in PSCs, which is one of the essential components for efficient devices. Here, we describe the current state‐of‐the‐art in molecular engineering of hole‐transporting materials that are used in PSCs and highlight the requisites for market‐viability of this technology. Finally, we include an outlook on molecular engineering of new functional HTMs for high efficiency PSCs.
From V. B. Aleskovskii's “Framework” Hypothesis to the Method of Molecular Layering/Atomic Layer Deposition
Authors: Malygin Anatolii A. , Drozd Victor E. , Malkov Anatolii A. , Smirnov Vladimir M.
Published: December 2015

This essay is dedicated to the history of creation and development of the molecular layering technique (ML) which, in the modern community of non‐Russian scientists, is commonly referred to as atomic layer deposition (ALD). Basic research in the field of chemical transformations of solid surfaces using the ML method in the light of the “framework” hypothesis proposed by V. B. Aleskovskii in 1952 is discussed. A number of questions raised by international scientists including those involved in the Virtual Project on the History of ALD (VPHA, 2013), and scientists from conferences in Helsinki (Finland, May 2014.), Kyoto (Japan, June 2014), and personal communications amongst peers are addressed. For the first time in English, this article provides information about V. B. Aleskovskii and S. I. Kol'tsov who are closely associated with development of the ML technique in the Soviet Union. This paper also informs the scientific community about research groups currently engaged in ML research in Russia and introduces the scientific school of “Chemistry of highly organized substances”, founded and supervised by V. B. Aleskovskii.
Two cases of primary non‐Hodgkin's lymphoma of female breast: Role of fine‐needle aspiration cytology and cell‐block immunohistochemistry
Authors: Banik Tarak , Mondal Krishnendu , Mandal Rupali
Published: December 2015

Primary breast lymphoma (PBL) is an uncommon neoplastic condition. Though HIV‐infection is a known risk factor for the development of extranodal lymphomas, mammary involvement is still a rarity. Radiologically, PBL appears as well circumscribed, heteroechoic, noncalcifying mass. Fine‐needle aspiration cytology (FNAC) is commonly used to diagnose this neoplasm; however, subcategorization requires immunophenotypic characterization of the neoplastic cells. Herein, we report two cases of PBL, including a HIV‐infected lady; in both the cases FNAC expressed features of non‐Hodgkin's lymphoma. Finally, immunohistochemistry on cell‐block with CD20 diagnosed both the cases as diffuse large B‐cell lymphoma (DLBCL). Diagn. Cytopathol. 2016;44:235–240. © 2015 Wiley Periodicals, Inc.
Cytology of low‐grade cribriform cystadenocarcinoma in salivary glands: Cytological and immunohistochemical distinctions from other salivary gland neoplasms
Authors: Ohta Yoshiki , Hirota Yuko , Kohno Yohko , Kishimoto Koji , Norose Tomoko , Ohike Nobuyuki , Takimoto Masafumi , Shiokawa Akira , Ota Hidekazu
Published: December 2015

Low‐grade cribriform cystadenocarcinoma of the parotid gland is rare malignancy that is classified as a variant of cystadenocarcinoma. In routine cytologic slides from fine‐needle aspiration of a parotid gland, we found several pseudopapillary clusters comprising mucus‐producing cells. They included a few tumor cells having three‐dimensional nuclear atypia and slight hyperchromatism, although most of the tumor cells showed bland nuclei. Our initial cytological diagnosis was: “Indeterminate. Uncertain whether cystadenocarcinoma or cystadenoma.” The subsequent histological diagnosis was low‐grade cribriform cystadenocarcinoma. Immunohistochemical staining showed diffuse and strong reactivity for S‐100; tumor nests that were rimmed by p63+ cells, which suggests intraductal proliferation. Here, we report cytomorphological findings of this case, and discuss cytological and immunohistochemical distinctions between low‐grade cribriform cystadenocarcinoma and other salivary gland tumors, including a review of the literature. Diagn. Cytopathol. 2016;44:241–245. © 2015 Wiley Periodicals, Inc.
Substituent‐Influenced Spin Cross­over in FeIII Quinolylsalicylaldimin­ates
Authors: Sertphon Darunee , Harding David J. , Harding Phimphaka , Murray Keith S. , Moubaraki Boujemaa , Adams Harry , Alkaş Adil , Telfer Shane G.
Published: December 2015

The new ligand Hqsal‐4‐OMe was synthesized, and four iron(III) complexes, [Fe(qsal‐4‐OMe)2]Y·CH2Cl2 [Hqsal‐4‐OMe = 4‐methoxy‐N‐(8‐quinolyl)salicylaldimine; Y = ClO4 (1), NO3 (2)] and [Fe(qsal‐4‐OMe)2]Y (Y = PF6 (3), OTf (4)] as well as the isomer [Fe(qsal‐5‐OMe)2]PF6·CH2Cl2 (5), were prepared. UV/Vis spectroscopic studies indicated that the complexes are high‐spin in solution and exhibit a ligand‐to‐metal charge‐transfer band around 400 nm. X‐ray crystallographic studies on [Fe(qsal‐4‐OMe)2]Y·CH2Cl2 (Y = ClO4, NO3) and [Fe(qsal‐4‐OMe)2]PF6 at 97 K revealed high‐spin FeIII centres with one of the qsal‐4‐OMe ligands significantly distorted from planarity. In contrast, in 5 the FeIII centre is low‐spin at low temperature, and the room‐temperature structure of 5 shows about 25 % spin crossover (SCO). The structure of [Fe(qsal‐4‐OMe)2]Y·sol shows weak π–π interactions between neighbouring cations, while 5 exhibits stronger π–π interactions that link it into a 1D chain. SQUID magnetometric studies revealed that 1–4 are essentially high‐spin, whereas 5 undergoes gradual and almost complete SCO up to 350 K. A combination of distortions to the qsal‐4‐OMe ligand and intermolecular C–H···O interactions involving both the coordinated phenolate oxygen atom and the OMe group seem to be responsible for the loss of SCO.
Half‐Sandwich Guanidinate–Osmium(II) Complexes: Synthesis and Application in the Selective Dehydration of Aldoximes
Authors: Francos Javier , González‐Liste Pedro J. , Menéndez‐Rodríguez Lucía , Crochet Pascale , Cadierno Victorio , Borge Javier , Antiñolo Antonio , Fernández‐Galán Rafael , Carrillo‐Hermosilla Fernando
Published: December 2015

The novel guanidinate–osmium(II) complexes [OsCl{κ2‐(N,N′)‐C(NR)(NiPr)NHiPr}(η6‐p‐cymene)] [R = Ph (3a), 4‐C6H4F (3b), 4‐C6H4Cl (3c), 4‐C6H4CF3 (3d), 3‐C6H4CF3 (3e), 3,5‐C6H3(CF3)2 (3f), 4‐C6H4CN (3g), 4‐C6H4Me (3h), 3‐C6H4Me (3i), 2‐C6H4Me (3j), 4‐C6H4tBu (3k), 2,6‐C6H3iPr2 (3l), 2,4,6‐C6H2Me3 (3m)] have been synthesized in high yields (70–88 %) by treatment of THF solutions of the dimeric precursor [{OsCl(µ‐Cl)(η6‐p‐cymene)}2] (1) with 4 equivalents of the corresponding guanidine (iPrHN)2C=NR (2a–m) at room temperature. The easily separable guanidinium chloride salts [(iPrHN)2C(NHR)]Cl (4a–m) were also formed in these reactions. The structures of 3a, 3d, and 3h were unequivocally confirmed by X‐ray diffraction methods. Complexes 3a–m proved to be active in the catalytic dehydration of aldoximes. The best results were obtained with [OsCl{κ2‐(N,N′)‐C(N‐4‐C6H4CF3)(NiPr)NHiPr}(η6‐p‐cymene)] (3d; 5 mol‐%), which, in acetonitrile at 80 °C, was able to convert selectively a large variety of aromatic, heteroaromatic, α,β‐unsaturated, and aliphatic aldoximes into the corresponding nitriles in high yields and short reaction times.
Generator‐collector Voltammetry at Dual‐plate Gold‐gold Microtrench Electrodes as Diagnostic Tool in Ionic Liquids
Authors: Angel Montiel Miguel , Iniesta Jesus , Gross Andrew J. , Thiemann Thies , Marken Frank
Published: December 2015

Ionic liquids provide high viscosity solvent environments with interesting voltammetric characteristics and new electrochemical mechanisms. Here, a gold‐gold dual‐plate microtrench electrode is employed in generator‐collector mode to enhance viscosity‐limited currents in ionic liquids due to fast feedback within small inter‐electrode gaps (5 μm inter‐electrode gap, 27 μm microtrench depth) and to provide a mechanistic diagnosis tool. Three redox systems in the ionic liquid BMIm+BF4− are investigated: (i) ferrocene oxidation, (ii) oxygen reduction, and (iii) 2‐phenyl‐naphthyl‐1,4‐dione reduction. Both transient and steady state voltammetric responses are compared. Asymmetric diffusion processes, reaction intermediates, and solubility changes in the ionic liquid are revealed.
Field testing of thermoplastic encapsulants in high‐temperature installations
Authors: Kempe Michael D. , Miller David C. , Wohlgemuth John H. , Kurtz Sarah R. , Moseley John M. , Shah Qurat A. , Tamizhmani Govindasamy , Sakurai Keiichiro , Inoue Masanao , Doi Takuya , Masuda Atsushi , Samuels Sam L. , Vanderpan Crystal E.
Published: December 2015

Recently there has been increased interest in using thermoplastic encapsulant materials in photovoltaic modules, but concerns have been raised about whether these would be mechanically stable at high temperatures in the field. Recently, this has become a significant topic of discussion in the development of IEC 61730 and IEC 61215. We constructed eight pairs of crystalline‐silicon modules and eight pairs of glass/encapsulation/glass thin‐film mock modules using different encapsulant materials, of which only two were formulated to chemically crosslink. One module set was exposed outdoors with thermal insulation on the back side in Mesa, Arizona, in the summer (hot‐dry), and an identical module set was exposed in environmental chambers. High‐precision creep measurements (±20 μm) and electrical performance measurements indicate that despite many of these polymeric materials operating in the melt or rubbery state during outdoor deployment, no significant creep was seen because of their high viscosity, lower operating temperature at the edges, and/or the formation of chemical crosslinks in many of the encapsulants with age despite the absence of a crosslinking agent. Only an ethylene‐vinyl acetate (EVA) encapsulant formulated without a peroxide crosslinking agent crept significantly. In the case of the crystalline‐silicon modules, the physical restraint of the backsheet reduced creep further and was not detectable even for the EVA without peroxide. Because of the propensity of some polymeric materials to crosslink as they age, typical thermoplastic encapsulants would be unlikely to result in creep in the vast majority of installations.
Large‐scale validation and benchmarking of a network of power‐conservative systems using ETSI's Green Abstraction Layer
Authors: Bolla Raffaele , Bruschi Roberto , Davoli Franco , Lago Paolo , Bakay Árpád , Grosso Renato , Kamola Mariusz , Karpowicz Michał , Koch Lavi , Levi David , Parladori Giorgio , Suino Diego
Published: December 2015

The increasing energy demands of networks and networked devices represent a threat to the development of the Future Internet. In this respect, recent research projects were devoted to extending next generation networks, architectures and protocols in the green direction. This paper presents a complex demonstration network specifically designed to assess the viability and the real impact of green networking mechanisms on industrial prototypes. The demonstrator reproduces a complete wire‐line network chain from the core devices to the subscriber terminals, integrating quite a few green mechanisms able to interoperate efficiently and achieve significant reductions in energy consumption. The experimental results and the ensuing impact analysis show how the aggregation of multiple devices with green capabilities can guarantee a satisfactory performance level, while also allowing huge energy savings. Copyright © 2015 John Wiley & Sons, Ltd.
The Effects of Holocene Landscape Changes on the Formation of the Archaeological Record in the Fayum Basin, Egypt
Authors: Koopman Annelies , Kluiving Sjoerd , Holdaway Simon , Wendrich Willeke
Published: December 2015

Geoarchaeological research was performed across an archaeological landscape along the hyperarid northern paleoshores of the modern Lake Qarun, Fayum Basin, Egypt. Objectives were to record sedimentary variability and to consider the correlation between the paleoenvironmental interpretations of these sedimentary data and the observed archaeological record dated to the early and mid‐Holocene. Our approach combines hand‐drilling and stratigraphic descriptions with detailed studies of sediments (grain size analysis, analyses of CaCO3, and organic matter contents), densities of stone artifacts and bones, and chronometric data from associated contexts (AMS14C dates on charcoal from hearths). Analysis of deposits indicates initiation of lake deposition, reworking of lake deposits, and subsequent accumulation of wind‐blown deposits occurred prior to the deposition of archaeological materials. Correlations between sediment and the archaeological deposits indicate a different use of areas covered by relatively coarse‐grained sediment (sand) compared to areas where relatively fine‐grained deposits are exposed (clay and silt). Reassessment of the associations between archaeological materials and sediments in the Fayum Basin is required to improve knowledge of the interrelationships between the Nile flood history, regional climatic changes, oscillations in levels of paleo‐Lake Qarun, compared to the chronology of human occupation in the Fayum Basin.
Reorganization of functionally connected brain subnetworks in high‐functioning autism
Authors: Glerean Enrico , Pan Raj K. , Salmi Juha , Kujala Rainer , Lahnakoski Juha M. , Roine Ulrika , Nummenmaa Lauri , Leppämäki Sami , Nieminen‐von Wendt Taina , Tani Pekka , Saramäki Jari , Sams Mikko , Jääskeläinen Iiro P.
Published: December 2015

Previous functional connectivity studies have found both hypo‐ and hyper‐connectivity in brains of individuals having autism spectrum disorder (ASD). Here we studied abnormalities in functional brain subnetworks in high‐functioning individuals with ASD during free viewing of a movie containing social cues and interactions. Twenty‐six subjects (13 with ASD) watched a 68‐min movie during functional magnetic resonance imaging. For each subject, we computed Pearson's correlation between haemodynamic time‐courses of each pair of 6‐mm isotropic voxels. From the whole‐brain functional networks, we derived individual and group‐level subnetworks using graph theory. Scaled inclusivity was then calculated between all subject pairs to estimate intersubject similarity of connectivity structure of each subnetwork. Additional 54 individuals (27 with ASD) from the ABIDE resting‐state database were included to test the reproducibility of the results. Between‐group differences were observed in the composition of default‐mode and ventro‐temporal‐limbic (VTL) subnetworks. The VTL subnetwork included amygdala, striatum, thalamus, parahippocampal, fusiform, and inferior temporal gyri. Further, VTL subnetwork similarity between subject pairs correlated significantly with similarity of symptom gravity measured with autism quotient. This correlation was observed also within the controls, and in the reproducibility dataset with ADI‐R and ADOS scores. Our results highlight how the reorganization of functional subnetworks in individuals with ASD clarifies the mixture of hypo‐ and hyper‐connectivity findings. Importantly, only the functional organization of the VTL subnetwork emerges as a marker of inter‐individual similarities that co‐vary with behavioral measures across all participants. These findings suggest a pivotal role of ventro‐temporal and limbic systems in autism. Hum Brain Mapp 37:1066–1079, 2016. © 2015 Wiley Periodicals, Inc.
A novel joint sparse partial correlation method for estimating group functional networks
Authors: Liang Xiaoyun , Connelly Alan , Calamante Fernando
Published: December 2015

Advances in graph theory have provided a powerful tool to characterize brain networks. In particular, functional networks at group‐level have great appeal to gain further insight into complex brain function, and to assess changes across disease conditions. These group networks, however, often have two main limitations. First, they are popularly estimated by directly averaging individual networks that are compromised by confounding variations. Secondly, functional networks have been estimated mainly through Pearson cross‐correlation, without taking into account the influence of other regions. In this study, we propose a sparse group partial correlation method for robust estimation of functional networks based on a joint graphical models approach. To circumvent the issue of choosing the optimal regularization parameters, a stability selection method is employed to extract networks. The proposed method is, therefore, denoted as JGMSS. By applying JGMSS across simulated datasets, the resulting networks show consistently higher accuracy and sensitivity than those estimated using an alternative approach (the elastic‐net regularization with stability selection, ENSS). The robustness of the JGMSS is evidenced by the independence of the estimated networks to choices of the initial set of regularization parameters. The performance of JGMSS in estimating group networks is further demonstrated with in vivo fMRI data (ASL and BOLD), which show that JGMSS can more robustly estimate brain hub regions at group‐level and can better control intersubject variability than it is achieved using ENSS.Hum Brain Mapp 37:1162–1177, 2016. ©2015 Wiley Periodicals, Inc.
‘A Theory of the Allocation of Time’ Turns Fifty: Its Impact on the Field of Health Economics
Authors: Grossman Michael
Published: December 2015

The year 2015 is the 50th anniversary of the publication of ‘A Theory of the Allocation of Time,’ by Gary S. Becker in the 1965 volume of The Economic Journal. To mark that occasion, this editorial focuses on the importance of that paper in the history and evolution of the field of health economics. Copyright © 2015 John Wiley & Sons, Ltd.
Crystal storing histiocytosis clinically mimicking metastatic carcinoma: Report of a case and reviews of literature
Authors: Balakrishna Jayalakshmi , Chen Angela , Urken Mark
Published: December 2015

Background

Crystal storing histiocytosis (CSH) is a rare disorder characterized by accumulation of histiocytes containing crystalline material inclusions. This entity can be misdiagnosed as infection or tumor. We present a case of idiopathic CSH mimicking metastatic squamous cell carcinoma in a cervical lymph node and review of literature regarding this rare entity.

Methods and Results

The patient was a 70‐year‐old man with a medical history of squamous cell carcinoma of the right base of the tongue. The patient presented with an enlarged cervical lymph node, which was clinically diagnosed as metastatic carcinoma. At intraoperative consultation, it was unexpectedly discovered that the lymph node exhibited extensive histiocytosis containing crystal materials. Final pathology identified “crystal storing histiocytosis” because of amyloidal depositions. No metastatic carcinoma was seen.

Conclusion

After 10 months of follow‐up, the patient is disease free. To the best of our knowledge, this unusual clinical presentation is the first to describe CSH mimicking a metastatic carcinoma. © 2015 Wiley Periodicals, Inc. Head Neck 38: E95–E98, 2016
The 3‐month readmission rate remains unacceptably high in a large North American cohort of patients with cirrhosis
Authors: Bajaj Jasmohan S. , Reddy K. Rajender , Tandon Puneeta , Wong Florence , Kamath Patrick S. , Garcia‐Tsao Guadalupe , Maliakkal Benedict , Biggins Scott W. , Thuluvath Paul J. , Fallon Michael B. , Subramanian Ram M. , Vargas Hugo , Thacker Leroy R. , O'Leary Jacqueline G. ,   ; on behalf of the North American Consortium for the Study of End‐Stage Liver Disease
Published: December 2015

In smaller single‐center studies, patients with cirrhosis are at a high readmission risk, but a multicenter perspective study is lacking. We evaluated the determinants of 3‐month readmissions among inpatients with cirrhosis using the prospective 14‐center North American Consortium for the Study of End‐Stage Liver Disease cohort. Patients with cirrhosis hospitalized for nonelective indications provided consent and were followed for 3 months postdischarge. The number of 3‐month readmissions and their determinants on index admission and discharge were calculated. We used multivariable logistic regression for all readmissions and for hepatic encephalopathy (HE), renal/metabolic, and infection‐related readmissions. A score was developed using admission/discharge variables for the total sample, which was validated on a random half of the total population. Of the 1353 patients enrolled, 1177 were eligible on discharge and 1013 had 3‐month outcomes. Readmissions occurred in 53% (n = 535; 316 with one, 219 with two or more), with consistent rates across sites. The leading causes were liver‐related (n = 333; HE, renal/metabolic, and infections). Patients with cirrhosis and with worse Model for End‐Stage Liver Disease score or diabetes, those taking prophylactic antibiotics, and those with prior HE were more likely to be readmitted. The admission model included Model for End‐Stage Liver Disease and diabetes (c‐statistic = 0.64, after split‐validation 0.65). The discharge model included Model for End‐Stage Liver Disease, proton pump inhibitor use, and lower length of stay (c‐statistic = 0.65, after split‐validation 0.70). Thirty percent of readmissions could not be predicted. Patients with liver‐related readmissions consistently had index‐stay nosocomial infections as a predictor for HE, renal/metabolic, and infection‐associated readmissions (odds ratio = 1.9‐3.0). Conclusions: Three‐month readmissions occurred in about half of discharged patients with cirrhosis, which were associated with cirrhosis severity, diabetes, and nosocomial infections; close monitoring of patients with advanced cirrhosis and prevention of nosocomial infections could reduce this burden. (Hepatology 2016;64:200–208)
Discrimination of skin sensitizers from non‐sensitizers by interleukin‐1α and interleukin‐6 production on cultured human keratinocytes
Authors: Jung Daun , Che Jeong‐Hwan , Lim Kyung‐Min , Chun Young‐Jin , Heo Yong , Seok Seung Hyeok
Published: December 2015

In vitro testing methods for classifying sensitizers could be valuable alternatives to in vivo sensitization testing using animal models, such as the murine local lymph node assay (LLNA) and the guinea pig maximization test (GMT), but there remains a need for in vitro methods that are more accurate and simpler to distinguish skin sensitizers from non‐sensitizers. Thus, the aim of our study was to establish an in vitro assay as a screening tool for detecting skin sensitizers using the human keratinocyte cell line, HaCaT. HaCaT cells were exposed to 16 relevant skin sensitizers and 6 skin non‐sensitizers. The highest dose used was the dose causing 75% cell viability (CV75) that we determined by an MTT [3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide] assay. The levels of extracellular production of interleukin‐1α (IL‐1α) and IL‐6 were measured. The sensitivity of IL‐1α was 63%, specificity was 83% and accuracy was 68%. In the case of IL‐6, sensitivity: 69%, specificity: 83% and accuracy: 73%. Thus, this study suggests that measuring extracellular production of pro‐inflammatory cytokines IL‐1α and IL‐6 by human HaCaT cells may potentially classify skin sensitizers from non‐sensitizers. Copyright © 2015 John Wiley & Sons, Ltd.
Synthetic surgical meshes used in abdominal wall surgery: Part II—Biomechanical aspects
Authors: Todros S. , Pavan P.G. , Pachera P. , Natali A.N.
Published: December 2015

This work reports the second part of a review on synthetic surgical meshes used for abdominal hernia repair. While material and structural characteristics, together with mesh–tissue interaction, were considered in a previous article (Part I), biomechanical behavior is described here in more detail. The role of the prosthesis is to strengthen the impaired abdominal wall, mimicking autologous tissue without reducing its compliance. Consequently, mesh mechanical properties play a crucial role in a successful surgical repair. The main available techniques for mechanical testing, such as uniaxial and biaxial tensile testing, ball burst, suture retention strength, and tear resistance testing, are described in depth. Among these methods, the biaxial tensile test is the one that can more faithfully reproduce the physiological loading condition. An outline of the most significant results documented in the literature is reported, showing the variety of data on mesh mechanical properties. Synthetic surgical meshes generally follow a non‐linear stress–strain behavior, with mechanical characteristics dependant on test direction due to mesh anisotropy. Ex‐vivo tests revealed an increased stiffness in mesh explants due to the gradual ingrowth of the host tissue after implant. In general, the absence of standardization in test methods and terminology makes it difficult to compare results from different studies. Numerical models of the abdominal wall interacting with surgical meshes were also discussed representing a potential tool for the selection of suitable prostheses. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 892–903, 2017.
Flexible CDOCKER: Development and application of a pseudo‐explicit structure‐based docking method within CHARMM
Authors: Gagnon Jessica K. , Law Sean M. , Brooks Charles L.
Published: December 2015

Protein‐ligand docking is a commonly used method for lead identification and refinement. While traditional structure‐based docking methods represent the receptor as a rigid body, recent developments have been moving toward the inclusion of protein flexibility. Proteins exist in an interconverting ensemble of conformational states, but effectively and efficiently searching the conformational space available to both the receptor and ligand remains a well‐appreciated computational challenge. To this end, we have developed the Flexible CDOCKER method as an extension of the family of complete docking solutions available within CHARMM. This method integrates atomically detailed side chain flexibility with grid‐based docking methods, maintaining efficiency while allowing the protein and ligand configurations to explore their conformational space simultaneously. This is in contrast to existing approaches that use induced‐fit like sampling, such as Glide or Autodock, where the protein or the ligand space is sampled independently in an iterative fashion. Presented here are developments to the CHARMM docking methodology to incorporate receptor flexibility and improvements to the sampling protocol as demonstrated with re‐docking trials on a subset of the CCDC/Astex set. These developments within CDOCKER achieve docking accuracy competitive with or exceeding the performance of other widely utilized docking programs. © 2015 Wiley Periodicals, Inc.
The Excitation Spectra of Naphthalene Dimers: Frenkel and Charge‐transfer Excitons
Authors: Fliegl Heike , You Zhi‐Qiang , Hsu Chao‐Ping , Sundholm Dage
Published: December 2015

Vertical electronic excitation energies have been calculated at the second‐order approximate coupled‐cluster (CC2) level for a series of dimeric naphthalene systems. The calculated excitation energies are compared with values obtained for a single naphthalene molecule and provide information about the coupling between the naphthalene moieties in the dimers. The calculations show that the coupling between the naphthalenes depends on the distance and the energy of the exciton. At long distances and high energies the excitons on the two naphthalenes are strongly coupled, whereas the excitation energies of the few lowest states are almost unaffected by the presence of the neighboring molecules. We have also analyzed the composition of the dimeric states that consist of the individual monomer states, to investigate the charge‐transfer (CT) and the Frenkel character of the excitons. Our results indicate that the CT exciton exists at short distances, and that its population drops as the distance between the two naphthalene increases.
Free water elimination diffusion tractography: A comparison with conventional and fluid‐attenuated inversion recovery, diffusion tensor imaging acquisitions
Authors: Hoy Andrew R. , Kecskemeti Steven R. , Alexander Andrew L.
Published: December 2015

Purpose

White matter tractography reconstructions using conventional diffusion tensor imaging (DTI) near cerebrospinal fluid (CSF) spaces are often adversely affected by CSF partial volume effects (PVEs). This study evaluates the ability of free water elimination (FWE) DTI methods to minimize the PVE of CSF for deterministic tractography applications.

Materials and Methods

Ten healthy individuals were scanned with "traditional," FLAIR (fluid‐attenuated inversion recovery), and FWE DTI scans. The fornix, corpus callosum, and cingulum bundles were reconstructed using deterministic tractography. The FWE DTI scan was performed twice to separately match total acquisition time (long FWE) and number of measurements (encoding directions, short FWE) to the FLAIR and "traditional" DTI scans. PVE resolution was determined based on reconstructed tract volume. All reconstructions underwent blinded review for anatomical correctness, symmetry, and completeness.

Results

Reconstructions of the fornix demonstrated that the FWE and FLAIR scans produce more complete, anatomically plausible reconstructions than "traditional" DTI. Additionally, the tract reconstructions using FWE‐DTI were significantly larger than when FLAIR was used with DTI (P < 0.0005). FLAIR and the FWE methods led to signal‐to‐noise ratio (SNR) reductions of 33% and 11%, respectively, compared with conventional DTI. The long and short FWE acquisitions did not significantly (P ≥ 0.31) differ from one another for any of the reconstructed tracts.

Conclusion

The FWE diffusion model overcomes CSF PVE without the time, SNR, and volumetric coverage penalties inherent to FLAIR DTI. J. MAGN. RESON. IMAGING 2015;42:1572–1581.