bluuebunny/crossref_metadata_2025 huggingface dataset:
Detection, Quantification, and Propagation of Uncertainty in High‐Throughput Experimentation by Monte Carlo Methods
Authors: Osberghaus A. , Baumann P. , Hepbildikler S. , Nath S. , Haindl M. , von Lieres E. , Hubbuch J.
Published: July 2012

Since the efficiency and speed of computing has increased significantly in the last decades, in silico‐approaches, e.g., quasi‐experimental analyses based on mechanistic simulations combined with Monte Carlo (MC) methods, are on the rise for uncertainty analyses and estimation of uncertainty propagation. The power and convenience of these approaches for high‐throughput processes will be demonstrated with a case study including miniaturized screenings on robotic platforms: a binding study for lysozyme on the adsorbent SP Sepharose FF in 96‐well format. All relevant uncertainties during the experimental preparations and automated high‐throughput experimentation were identified, quantified, and then embedded in a simulation algorithm for the calculation of uncertainty propagation based on MC sampling. A proof‐of‐concept for this approach is then followed by the simulation‐based analysis of various case scenarios. The MC‐based approach can easily be transferred to uncertainty analyses in other high‐throughput processes.
Hydrodynamics and Mass Transfer in Gas‐Liquid Flows in Microreactors
Authors: Sobieszuk P. , Aubin J. , Pohorecki R.
Published: July 2012

Over the last ten to fifteen years, microreaction technology has become of increased interest to both academics and industrialists for intensification of multiphase processes. Amongst the vast application possibilities, fast, highly exothermic and/or mass transfer‐limited gas‐liquid reactions benefit from process miniaturization. Recent studies of hydrodynamics and mass transfer in gas‐liquid microreactors with closed and open microchannels, e.g., falling‐film microreactors, are reviewed and compared. Special attention is paid to Taylor or slug flow in closed channels, as this regime seems to be most adapted for practical engineering applications.
Simulation of a Compact Multichannel Membrane Reactor for the Production of Pure Hydrogen via Steam Methane Reforming
Authors: Vigneault A. , Elnashaie S. S. E. H. , Grace J. R.
Published: July 2012

A steady‐state 2D model is developed for a multichannel membrane reactor (MCMR) to produce pure hydrogen. The model includes one reforming channel coupled with a PdAg membrane to produce H2 and one combustion channel to generate the heat needed for the reforming. Both isothermal and non‐isothermal simulations are applied in designing a laboratory‐scale proof‐of‐concept reactor. Isothermal sensitivity analysis indicates parameter adjustments practically available to improve reactor performance. In non‐isothermal simulations, catalyst layer thickness and kinetic pre‐exponential factor are varied along the reactor length. Predictions indicate that the reforming methane conversion increased from 74 % to 91 %, while avoiding hot spots. Compared with other membrane reactors, the MCMR has the potential for one to two orders of magnitude higher H2 production per reactor volume and per mass of catalyst.
Enhancement Factor for Gas Absorption in a Finite Liquid Layer. Part 3: Instantaneous and Second‐Order Reactions in a Liquid in Laminar Flow
Authors: Yue J. , Rebrov E. V. , Schouten J. C.
Published: July 2012

Numerical analysis on gas absorption accompanied by an instantaneous reaction or a second‐order reaction into a liquid layer of finite thickness in laminar flow is presented. A similar influence of the reactant diffusivity ratio, the Fourier number, and the Hatta number on the enhancement factor is reported compared to the ideal situation in which the liquid layer is in plug flow motion. Approximate enhancement factor expressions are developed for both reaction cases by analogy to the plug flow situation, where the predictions according to the original penetration theory tend to give erroneous results in the enhancement factor at Fourier numbers above 0.1. The developed expressions in the case of a second‐order reaction can be extrapolated for estimating the enhancement factor in the more general case of a (1, n)‐th‐order reaction.
ChemInform Abstract: Structural Characterization of Moganite‐Type AlPO4 by NMR and Powder X‐Ray Diffraction.
Authors: Kanzaki Masami , Xue Xianyu
Published: July 2012

A new high‐pressure AlPO4 phase obtained at 5 GPa and 1500 °C is characterized by synchrotron powder XRD and MAS NMR spectroscopy.
ChemInform Abstract: X‐Ray Diffraction and Raman Spectroscopy Studies of Temperature and Composition Induced Phase Transitions in Ba2‐xSrxZnWO6 (0 ≤ x ≤ 2) Double Perovskite Oxides.
Authors: Manoun Bouchaib , Ezzahi A. , Benmokhtar S. , Ider A. , Lazor P. , Bih L. , Igartua J. M.
Published: July 2012

The title compounds are characterized by powder XRD and Raman spectroscopy.
ChemInform Abstract: NaEu3(GeO4)2(OH)2: A High‐Pressure‐Stable Photoluminescent Lanthanide Germanate.
Authors: Zhao Xinguang , Yan Tingting , Wang Kai , Yan Yan , Zou Bo , Yu Jihong , Xu Ruren
Published: July 2012

The title compound is hydrothermally synthesized from a mixture of Eu(NO3)3, GeO2, NaOH, and H2O (autoclave, 230 °C, 7 d).
ChemInform Abstract: High Pressure in situ Differential Thermal Analysis of Na0.5Bi0.5TiO3 Phase Transitions up to 5 GPa.
Authors: Xu Chao , He Duanwei , Wang Haikuo , Liu Chunmei , Yin Shuai , Wang Kaixue , Guan Junwei , Peng Fang , Kou Zili
Published: July 2012

Phase transitions of the title compound are investigated by high pressure in situ DTA up to 5 GPa.
ChemInform Abstract: Synthesis and Properties of New Multinary Silicides R5Mg5Fe4AlxSi18‐x (R: Gd, Dy, Y, x ≈ 12) Grown in Mg/A Flux.
Authors: Ma Xiaowei , Chen Banghao , Latturner Susan E.
Published: July 2012

The compounds Ln5Mg5Fe4Al12Si6 (Ln: Gd, Dy, Y) are synthesized by reaction of Fe, Si, and Ln in an equimolar Mg/Al flux (750 °C, 24 h).
ChemInform Abstract: Highly Enantioselective [4 + 2] Annulations Catalyzed by Amino Acid‐Based Phosphines: Synthesis of Functionalized Cyclohexenes and 3‐Spirocyclohexene‐2‐oxindoles.
Authors: Zhong Fangrui , Han Xiaoyu , Wang Youqing , Lu Yixin
Published: July 2012

By employing isatin‐derived alkenes, the cycloaddition yields spirocyclohexene‐2‐oxindoles (V), a framework of biological significance.
ChemInform Abstract: Coinage Metals Catalyzed Cascade Reactions of Aryl Alkynylaziridines: Silver(I)‐Single vs. Gold(I)‐Double Cyclizations.
Authors: Kern Nicolas , Blanc Aurelien , Miaskiewicz Solene , Robinette Michelle , Weibel Jean‐Marc , Pale Patrick
Published: July 2012

In the presence of Ag(I) salts, the substrates undergo efficient rearrangement to aminoallenylidene isochromans, isoquinolines, and tetrahydronaphthalenes.
ChemInform Abstract: Pd(II) Catalyzed Transformation of Schiff Bases in Complexes of the Type trans‐[PdCl2(NH2Ar—X)2] (X: H, CH3, Cl): Reactivity with Aldehydes and Heck Coupling Reaction.
Authors: Kumari Niraj , Yadav Vinod Kumar , Zalis Stanislav , Mishra Lallan
Published: July 2012

Aniline‐palladium complexes of the type trans‐[PdCl2(H2N‐Ar)2] are synthesized, which efficiently catalyze the Heck reaction of bromobenzene with functionalized olefins (II).
ChemInform Abstract: Novel Basic Ionic Liquid Based on Alkylammonium as Efficient Catalyst for Knoevenagel Reaction.
Authors: Zhou Shuai , Liu Lu , Wang Bo , Ma Mingguo , Xu Feng , Sun Runcang
Published: July 2012

The novel basic ionic liquid exhibits excellent catalytic activities for Knoevenagel condensation [→(III)] and marked catalytic activities in Claisen—Schmidt [→(VI)], Michael [→(VIII)], aldol [→(X)] and epoxidation reactions.
ChemInform Abstract: Catalyst‐Free and Highly Selective Electrophilic Mono‐Fluorination of Acetoacetamides: Facile and Efficient Preparation of 2‐Fluoroacetoacetamides in PEG‐400.
Authors: Bi Jingjing , Zhang Zhiguo , Liu Qingfeng , Zhang Guisheng
Published: July 2012

Treatment of acetoacetamides (I) with almost equimolar amounts of Selectfluor affords monofluorinated β‐ketoamides (II), whilst the use of a double amount of Selectfluor for the fluorination of compound (Ib) leads to difluorinated derivative (III) as a single product.
ChemInform Abstract: Iron‐Catalyzed Cyclopropanation with Glycine Ethyl Ester Hydrochloride in Water.
Authors: Morandi Bill , Dolva Amund , Carreira E. M.
Published: July 2012

Electron‐donating and electron‐withdrawing substrates produce aromatic cyclopropyl esters in good isolated yields of pure trans‐products [cf.
ChemInform Abstract: The Diels—Alder Cyclization of Ketenimines.
Authors: Erb Jeremy , Strull Jessica , Miller David , He Jean , Lectka Thomas
Published: July 2012

The reaction with cyclopentadiene affords the target aminoketones after hydrolysis.
ChemInform Abstract: Nitrosation of Aryl and Heteroaryltrifluoroborates with Nitrosonium Tetrafluoroborate.
Authors: Molander Gary A. , Cavalcanti Livia N.
Published: July 2012

The new, mild, and widely applicable method allows the access to various target compounds as important synthetic intermediates.
ChemInform Abstract: Access to Chiral α‐Bromo and α‐H‐Substituted Tertiary Allylic Alcohols via Copper(I) Catalyzed 1,2‐Addition of Grignard Reagents to Enones.
Authors: Madduri Ashoba V. R. , Minnaard Adriaan J. , Harutyunyan Syuzanna R.
Published: July 2012

The methodology provides tertiary allylic alcohols with excellent yields.
ChemInform Abstract: Copper‐Catalyzed N—N Bond Formation by Homocoupling of Ketoximes via N—O Bond Cleavage: Facile, Mild, and Efficient Synthesis of Azines.
Authors: Zhao Mi‐Na , Liang Hao , Ren Zhi‐Hui , Guan Zheng‐Hui
Published: July 2012

A broad spectrum of symmetrical azines is available within 24h in moderate to good yields and high functional group tolerance is observed.
ChemInform Abstract: Direct Palladium(II)‐Catalyzed Synthesis of Arylamidines from Aryltrifluoroborates.
Authors: Saevmarker Jonas , Rydfjord Jonas , Gising Johan , Odell Luke R. , Larhed Mats
Published: July 2012

Compared to the aryltrifluoroborates, both boronic acid and pinacol ester derivatives provide significantly lower yields.
ChemInform Abstract: A Non‐Metal Catalyzed Oxidation of Primary Azides to Nitriles at Ambient Temperature.
Authors: Lamani Manjunath , Devadig Pradeep , Prabhu Kandikere Ramaiah
Published: July 2012

The method provides good selectivity as double and triple bonds are not oxidized.
ChemInform Abstract: Well‐Defined Ruthenium(II) Carboxylate as Catalyst for Direct C—H/C—O Bond Arylations with Phenols in Water.
Authors: Ackermann Lutz , Pospech Jola , Potukuchi Harish Kumar
Published: July 2012

The process is successful in toluene, water or under solvent‐free conditions with tosylates, generated in situ from phenols and TosCl.
ChemInform Abstract: Synthesis of 2,3‐Diiodoindenes and Their Applications in Construction of 13H‐Indeno[1,2‐l]phenanthrenes.
Authors: Zhou Chao , Chen Xiaopeng , Lu Ping , Wang Yanguang
Published: July 2012

The photophysical properties of the target compounds are investigated in cyclohexane.
ChemInform Abstract: Preparation of Trifluoromethyl‐Substituted Aziridines with in situ Generated CF3CHN2.
Authors: Kuenzi Stefan A. , Morandi Bill , Carreira Erick M.
Published: July 2012

The one‐pot two‐step procedure affords the desired products, which are of interest in drug development, with complete regioselectivity and high cis‐diastereoselectivity.
ChemInform Abstract: Pd‐ and Cu‐Catalyzed One‐Pot Multicomponent Synthesis of Hetero α,α′‐Dimers of Heterocycles.
Authors: Murata Takahiro , Murai Masahito , Ikeda Yuji , Miki Koji , Ohe Kouichi
Published: July 2012

The process is highly successful under conditions A) to produce various mixed ‐heterocyclic oligomers, which are of interest in material science.
ChemInform Abstract: Direct Construction of Novel Exo′‐Selective Spiropyrrolidine Bisoxindoles via a Three‐Component 1,3‐Dipolar Cycloaddition Reaction.
Authors: Liu Jie , Sun Hongbao , Liu Xiangjun , Ouyang Liang , Kang Tairan , Xie Yongmei , Wang Xiaoyan
Published: July 2012

Azomethine ylides, generated in situ from isatins and α‐amino acid methyl ester (III) or amino acids (IX) and (XI), react with Knoevenagel adducts to yield the heterocyclic title systems.
ChemInform Abstract: Synthesis of β‐Carbolines Using Microwave‐Assisted aza‐Wittig Methodology in Ionic Liquids.
Authors: Fresneda Pilar M. , Blazquez Jose Antonio
Published: July 2012

The N‐unsubstituted β‐carbolines are formed via an expected aza‐Wittig electrocyclic ring closing sequence accompanied by unexpected simultaneous N‐deprotection.
ChemInform Abstract: Highly Stereoselective Metal‐Free Oxyaminations Using Chiral Hypervalent Iodine Reagents.
Authors: Farid Umar , Wirth Thomas
Published: July 2012

The efficient title reaction is reported for the first time and leads to products of type (II).
ChemInform Abstract: A Practical Synthesis of 2‐Aminobenzothiazoles via the Tandem Reactions of 2‐Haloanilines with Isothiocyanates Catalyzed by Immobilization of Copper in MCM‐41.
Authors: Xiao Ruian , Hao Wenyan , Ai Jinting , Cai Ming‐Zhong
Published: July 2012

The reaction of haloanilines, especially iodo derivatives, can be performed under air to produce biologically important benzothiazole derivatives.
ChemInform Abstract: Cyclocondensation of Amino‐propargyl Silanes.
Authors: Wang Yizhong , Ready Joseph M.
Published: July 2012

The reactions are relatively insensitive to water and air and produce various polycyclic N‐heterocycles bearing an allenic side chain.
ChemInform Abstract: An Efficient Approach to H‐Pyrazolo[5,1‐a]isoquinolines via a Silver Triflate‐Catalyzed Reaction of N′‐(2‐Alkynylbenzylidene)hydrazide with Allenoate.
Authors: Gao Liang , Ye Shengqing , Ding Qiuping , Chen Zhiyuan , Wu Jie
Published: July 2012

A novel reaction for the synthesis of the title compounds is successfully developed under mild conditions.
ChemInform Abstract: Silver Triflate—Copper(II) Acetate Cooperative Catalysis in a Cascade Reaction for Concise Synthesis of 2‐Carbonyl H‐Pyrazolo[5,1‐a]isoquinolines.
Authors: Chen Zhiyuan , Gao Liang , Ye Shengqing , Ding Qiuping , Wu Jie
Published: July 2012

It is assumed that the reaction proceeds through a peroxy‐copper(III) intermediate.
ChemInform Abstract: Desulfonylative Radical Ring Closure onto Aromatics. A Modular Route to Benzazepin‐2‐ones and 5‐Arylpiperidin‐2‐ones.
Authors: Charrier Nicolas , Liu Zhibo , Zard Samir Z.
Published: July 2012

The method includes the radical reaction of N‐xanthylacetyl‐N‐methanesulfanilides with allylamine (II), followed by ring closure.
ChemInform Abstract: TiCl4‐Promoted Tandem Carbonyl or Imine Addition and Friedel—Crafts Cyclization: Synthesis of Benzo‐Fused Oxabicyclooctanes and Nonanes.
Authors: Ghosh Arun K. , Martyr Cuthbert D. , Xu Chun‐Xiao
Published: July 2012

Substituted benzo‐fused 8‐oxabicyclo[3.2.1]octanes and 9‐oxabicyclo[4.2.1]nonanes are prepared from substituted electron‐rich benzyl dihydrofurans and phenethyl dihydrofurans.
ChemInform Abstract: HClO4·SiO2‐Mediated Improved Isomerization of Glycidic Esters to α‐Hydroxy‐β,γ‐unsaturated Esters: Application in the Formal Synthesis of (R)‐Baclofen and β‐Phenyl GABA Analogues.
Authors: Basak Ranjan , Dharuman Suresh , Reddy Y. Suman , Doddi Venkata Ramana , Vankar Yashwant D.
Published: July 2012

Compound (Ve) is easily converted into (R)‐baclofen accordingly to previously published methods.
ChemInform Abstract: Lewis Acid Promoted Highly Diastereoselective Petasis Borono‐Mannich Reaction: Efficient Synthesis of Optically Active β,γ‐Unsaturated α‐Amino Acids.
Authors: Li Yi , Xu Ming‐Hua
Published: July 2012

The reaction of alkenyl boronic acids, (R)‐N‐tbutanesulfonamide (I) and glyoxylic acid (III) is catalyzed by InBr3 and proceeds with excellent diastereoselectivities.
ChemInform Abstract: Daphnioldhamine A, a Novel Alkaloid from Daphniphyllum oldhami.
Authors: Tan Cheng‐Jian , Wang Yue‐Hu , Di Ying‐Tong , He Hong‐Ping , Mu Shu‐Zhen , Li Shi‐Fei , Zhang Yu , Hao Xiao‐Jiang
Published: July 2012

Preliminary tests reveal that (I) exhibits no cytotoxicity.
ChemInform Abstract: Multiple Superconducting Gaps, Anisotropic Spin Fluctuations and Spin‐Orbit Coupling in Iron‐Pnictides
Authors: Yang Jie , Zheng Guo‐qing
Published: July 2012

Review: 56 refs.
ChemInform Abstract: Synthesis, Properties, and Examples of the Use of Carbon Nanomaterials
Authors: Tarasov B. P. , Muradyan V. E. , Volodin A. A.
Published: July 2012

Review: 62 refs.
ChemInform Abstract: Metallosupramolecular Amphiphilic π‐Systems
Authors: Mayoral Munoz Maria Jose , Fernandez Gustavo
Published: July 2012

Review: [58 refs.]
ChemInform Abstract: Recent Developments in the Asymmetric Synthesis of P‐Chiral Phosphorus Compounds.
Authors: Kolodiazhnyi Oleg I.
Published: July 2012

Review: 264 refs.
ChemInform Abstract: Is There No End to the Total Syntheses of Strychnine? Lessons Learned in Strategy and Tactics in Total Synthesis
Authors: Cannon Jeffrey S. , Overman Larry E.
Published: July 2012

Review: 233 refs.
ChemInform Abstract: Aza‐γ‐carbolines and Their Benzanellated Derivatives: Methods of Synthesis, Chemical and Biological Properties
Authors: Alekseyev R. S. , Kurkin A. V. , Yurovskaya M. A.
Published: July 2012

Review: 76 refs.
ChemInform Abstract: Aromatic Polyazides and High‐Spin Nitrenes
Authors: Chapyshev S. V.
Published: July 2012

Review: results of recent studies on synthesis and properties; 97 refs.
ChemInform Abstract: Chemistry and Biology of Multicomponent Reactions
Authors: Domling Alexander , Wang Wei , Wang Kan
Published: July 2012

Review: 380 refs.
ChemInform Abstract: Cystine Knot Folding in Cyclotides
Authors: Daly Norelle L. , Gruber Christian W. , Goransson Ulf , Craik David J.
Published: July 2012

Review: 74 refs.
ChemInform Abstract: Coherent Electric Field Characterization of Molecular Chirality in the Time Domain
Authors: Rhee Hanju , Eom Intae , Ahn Sung‐Hyun , Cho Minhaeng
Published: July 2012

Review: 64 refs.
ChemInform Abstract: Solubility of Gases in Ionic Liquids
Authors: Bermejo Maria Dolores , Martin Angel
Published: July 2012

Review: 112 refs.
ChemInform Abstract: The Art of Fluorescence Imaging with Chemical Sensors
Authors: Schaeferling Michael
Published: July 2012

Review: 250 refs.
Candida tenuis Xylose Reductase Catalyzed Reduction of Aryl Ketones for Enantioselective Synthesis of Active Oxetine Derivatives
Authors: Vogl Michael , Kratzer Regina , Nidetzky Bernd , Brecker Lothar
Published: July 2012

Candida tenuis xylose reductase shows high catalytic efficiencies in carbonyl reduction of acetophenone and 1‐phenyl‐1‐propanone derivatives. The quite low substrate solubility in aqueous buffer systems is circumvented by addition of methanol or by two‐phase solvent systems. In the latter, methanol improves the substrate phase transfer as solvent mediator and leads to reasonable space/time yields. Resulting enantiomerically pure chiral alcohols are key intermediates for synthesis of active pharmaceutical ingredients. (R)‐Atomoxetine is exemplarily synthesized in four steps, and the further use for generation of other oxetine derivatives and a polo‐like kinase 1 inhibitor are discussed. Chirality 00:000–000, 2012. © 2012 Wiley Periodicals, Inc.
A comprehensive discussion of hmbc pulse sequences, part 1: The classical HMBC
Authors: Furrer Julien
Published: July 2012

Since its introduction in 1986, the heteronuclear multiple bond correlation (HMBC) experiment has modernized nuclear magnetic resonance spectroscopy for the structural studies of small to medium molecules. The experiment provides information about which protons are near through bonds (but not directly bonded to) different carbons or to another heteronucleus. This experiment (in conjunction with the heteronuclear single‐quantum coherence experiment) provides significant amount of information about molecular structure, as the long‐range proton–carbon or proton–nitrogen correlations can include quaternary carbons or nitrogens, in addition to protonated carbons or nitrogens. Impressive examples for structure elucidation of organic molecules, peptides, or natural products have been published in the last 20 years. After a short introduction into the basic theory, this article will provide a comprehensive and pedagogical description of the classical HMBC pulse sequences, with the aid of product operator formalism. Building from basic principles, low‐pass filtering for rejecting unwanted 1
JCH correlations, and the role of pulsed‐field gradients for coherence transfer pathway selection are explained in detail. This article is intended to be used as a basic coverage for students and researchers seeking a simple theoretical understanding of the fundamental tools of the HMBC experiment. © 2012 Wiley Periodicals, Inc. Concepts Magn Reson Part A 40A: 101–127, 2012.
Digitally programmable second generation current conveyor‐based FPAA
Authors: Mahmoud Soliman A. , Soliman Eman A.
Published: July 2012

A novel fully differential digitally programmable current conveyor (DPCCII) is presented in this paper. The programmability of the proposed DPCCII is achieved using three‐bit MOS R‐2R ladder current division network. The DPCCII is used to realize a field programmable analog array (FPAA). The FPAA consists of seven configurable analog blocks arranged in a hexagonal form. The FPAA power consumption is 72.3 mW from 1 V voltage supply. A second‐order programmable universal filter is realized using the proposed FPAA as an application. All the circuits are realized and simulated using 90 nm IBM CMOS technology model under balanced supply voltage of ±0.5 V. Copyright © 2012 John Wiley & Sons, Ltd.
Epidermal growth factor receptor and Kras gene expression: Reliability of mutational analysis on cytological samples
Authors: Bozzetti Cecilia , Negri Francesca V. , Azzoni Cinzia , Naldi Nadia , Nizzoli Rita , Bortesi Beatrice , Zobbi Valentina , Bottarelli Lorena , Tiseo Marcello , Silini Enrico Maria , Ardizzoni Andrea
Published: July 2012

Epidermal growth factor receptor (EGFR) and Kras gene mutations are crucial for discriminating patients responsive to anti‐EGFR drugs in non‐small cell lung cancer (NSCLC) and colorectal cancer (CRC), respectively. The majority of NSCLCs come to clinical attention at an advanced stage when surgery is no longer recommended and a considerable number of them are diagnosed by cytology only. A large number of metastatic CRCs are also diagnosed by imaging and minimally invasive techniques such as fine‐needle aspiration biopsy. Here, we report our experience in the mutation analysis of EGFR and Kras on cytological material obtained from superficial and deep lesions of NSCLC and CRC. Our series included 63 cytological specimens from primary or metastatic lesions of 42 NSCLCs and 21 CRCs. The cytological material was adequate for the mutation analysis in 39/42 (93%) NSCLCs and in 20/21(95%) CRCs. EGFR and Kras mutations were found in 9 (23%) and 9 (23%) NSCLC cases, respectively. Kras mutations were found in 9/20 (45%) CRC specimens. Histological samples from the primary tumors were available in 9/42 NSCLCs and in 17/21 CRCs. The agreement of EGFR and Kras mutational status in cytological vs. histological samples was 100% for NSCLC and 88% for CRC. Our results suggest that standard cytology provides adequate material for the assessment of EGFR and Kras mutational status in NSCLC and CRC patients and could be specifically indicated in patients not eligible for surgery but candidate to anti‐EGFR therapy. Diagn. Cytopathol. 2013. © 2012 Wiley Periodicals, Inc.
Closing the gap on drug-induced liver injury
Authors: Maurel Marion , Rosenbaum Jean
Published: July 2012

Drug-induced liver injury (DILI) limits the development and application of many therapeutic compounds and presents major challenges to the pharmaceutical industry and clinical medicine. Acetaminophen-containing compounds are among the most frequently prescribed drugs and are also the most common cause of DILI. Here we describe a pharmacological strategy that targets gap junction communication to prevent amplification of fulminant hepatic failure and acetaminophen-induced hepatotoxicity. We demonstrate that connexin 32 (Cx32), a key hepatic gap junction protein, is an essential mediator of DILI by showing that mice deficient in Cx32 are protected against liver damage, acute inflammation and death caused by liver-toxic drugs. We identify a small-molecule inhibitor of Cx32 that protects against liver failure and death in wild-type mice when co-administered with known hepatotoxic drugs. These findings indicate that gap junction inhibition could provide a pharmaceutical strategy to limit DILI and improve drug safety. (HEPATOLOGY 2012;)
Making the first fracture the last fracture: ASBMR task force report on secondary fracture prevention
Authors: Eisman John A , Bogoch Earl R , Dell Rick , Harrington J Timothy , McKinney Ross E , McLellan Alastair , Mitchell Paul J , Silverman Stuart , Singleton Rick , Siris Ethel ,   for the ASBMR Task Force on Secondary Fracture Prevention
Published: July 2012

Fragility fractures are common, affecting almost one in two older women and one in three older men. Every fragility fracture signals increased risk of future fractures as well as risk of premature mortality. Despite the major health care impact worldwide, currently there are few systems in place to identify and “capture” individuals after a fragility fracture to ensure appropriate assessment and treatment (according to national guidelines) to reduce future fracture risk and adverse health outcomes. The Task Force reviewed the current evidence about different systematic interventional approaches, their logical background, as well as the medical and ethical rationale. This included reviewing the evidence supporting cost-effective interventions and developing a toolkit for reducing secondary fracture incidence. This report presents this evidence for cost-effective interventions versus the human and health care costs associated with the failure to address further fractures. In particular, it summarizes the evidence for various forms of Fracture Liaison Service as the most effective intervention for secondary fracture prevention. It also summarizes the evidence that certain interventions, particularly those based on patient and/or community-focused educational approaches, are consistently, if unexpectedly, ineffective. As an international group, representing 36 countries throughout Asia-Pacific, South America, Europe, and North America, the Task Force reviewed and summarized the international data on barriers encountered in implementing risk-reduction strategies. It presents the ethical imperatives for providing quality of care in osteoporosis management. As part of an implementation strategy, it describes both the quality improvement methods best suited to transforming care and the research questions that remain outstanding. The overarching outcome of the Task Force's work has been the provision of a rational background and the scientific evidence underpinning secondary fracture prevention and stresses the utility of one form or another of a Fracture Liaison Service in achieving those quality outcomes worldwide. © 2012 American Society for Bone and Mineral Research.
Facile Synthesis of Linear and Hyperbranched Ladder Poly(p‐Phenylene)s without Structural Defects
Authors: Bai Libin , Li Dongzhi , Lu Huan , Wu Yonggang , Ba Xinwu , Bo Zhishan
Published: July 2012

Linear and hyperbranched ladder polymers are facilely synthesized by a Pd0‐catalyzed Suzuki polycondensation and Friedel–Crafts alkylation. The polymers show blue light emission with typical features of ladder polymers, such as well‐resolved absorption and emission spectra, and small Stokes shifts. The polymers contain fewer structural defects and they exhibit good optical and thermal stability. No spectral change is observed after the films of ladder polymers are heated at 110 °C in air for 24 h.
Standardizing the power of the Hosmer–Lemeshow goodness of fit test in large data sets
Authors: Paul Prabasaj , Pennell Michael L. , Lemeshow Stanley
Published: July 2012

The Hosmer–Lemeshow test is a commonly used procedure for assessing goodness of fit in logistic regression. It has, for example, been widely used for evaluation of risk‐scoring models. As with any statistical test, the power increases with sample size; this can be undesirable for goodness of fit tests because in very large data sets, small departures from the proposed model will be considered significant. By considering the dependence of power on the number of groups used in the Hosmer–Lemeshow test, we show how the power may be standardized across different sample sizes in a wide range of models. We provide and confirm mathematical derivations through simulation and analysis of data on 31,713 children from the Collaborative Perinatal Project. We make recommendations on how to choose the number of groups in the Hosmer–Lemeshow test based on sample size and provide example applications of the recommendations. Copyright © 2012 John Wiley & Sons, Ltd.
Segmental modeling of viral load changes for HIV longitudinal data with skewness and detection limits
Authors: Huang Yangxin
Published: July 2012

Although it is a common practice to analyze complex HIV longitudinal data using nonlinear mixed‐effects or nonparametric mixed‐effects models in literature, the following issues may standout. (i) In clinical practice, the profile of each subject's viral response may follow a ‘broken‐stick’‐like trajectory, indicating multiple phases of decline and increase in response. Such multiple phases (change points) may be an important indicator to help quantify treatment effect and improve management of patient care. To estimate change points, nonlinear mixed‐effects or nonparametric mixed‐effects models become a challenge because of complicated structures of model formulations. (ii) The commonly assumed distribution for model random errors is normal, but this assumption may unrealistically obscure important features of subject variations. (iii) The response observations (viral load) may be subject to left censoring due to a limit of detection. Inferential procedures can be complicated dramatically when data with asymmetric (skewed) characteristics and left censoring are observed in conjunction with change points as unknown parameters into models. There is relatively little work concerning all these features simultaneously. This article proposes segmental mixed‐effects models with skew distributions for the response process (with left censoring) under a Bayesian framework. A real data example is used to illustrate the proposed methods. Copyright © 2012 John Wiley & Sons, Ltd.
Effect of Carbon Coating on the Physico‐chemical Properties and Toxicity of Copper and Nickel Nanoparticles
Authors: Minocha Shalini , Mumper Russell J.
Published: July 2012

The primary aim of these interdisciplinary studies is to investigate the effect of surface carbon coating on the physico‐chemical properties and toxicity of carbon‐coated and noncoated copper and nickel nanoparticles (C‐Cu, Cu, C‐Ni, Ni NPs) in A549 alveolar epithelial cells. Compared to Cu NPs, C‐Cu NPs exhibit protection against surface oxidation, tenfold higher cellular uptake, and fourfold lower release of soluble Cu. The toxicity of C‐Cu NPs and Cu NPs is associated with pronounced damage to mitochondrial function and plasma membrane integrity, respectively. Compared to Cu and C‐Cu NPs, Ni and C‐Ni NPs are less toxic. These studies demonstrate that correlations can be drawn between physico‐chemical properties and resultant toxicity of NPs as a function of surface carbon coating.
Differential photosynthetic characteristics between seedlings and saplings of Abies sachalinensis and Picea glehnii, in the field
Authors: Bontempo e Silva Edgard A. , Hasegawa Shigeaki F. , Ono Kiyomi , Sumida Akihiro , Uemura Shigeru , Hara Toshihiko
Published: July 2012

Abies sachalinensis and Picea glehnii are co‐dominant tree species and major components of the forests of Hokkaido, Japan. Recent work suggests that a reversal in potential competitive superiority at different developmental stages could be important to explain their coexistence. Such shifts in competitive advantage can be mechanistically understood by studying the corresponding physiological differences between distinct life stages. Accordingly, our objective was to investigate in the field the photosynthesis of shade‐growing juveniles of these species from two different size‐classes, seedlings and saplings. Our results show that seedlings of both species had higher concentrations of photoprotective xanthophylls than saplings, especially in spring, and suggest that seedlings have a lower threshold of stress tolerance than saplings. Photosynthetic capacity per needle area and lateral shoot extension rate decreased from the seedling to the sapling stage in A. sachalinensis, while in P. glehnii, both increased from the seedling to the sapling stage. Abies sachalinensis had higher photosynthetic rates at the seedling stage but lower rates at the sapling stage than P. glehnii. Nevertheless, A. sachalinensis had a higher lateral shoot extension rate than P. glehnii at both stages. Our physiological results support previous ecological observations that A. sachalinensis is a superior competitor to P. glehnii in the understory, and show that its competitive advantage is higher at the seedling stage than at the sapling stage.
A Theory of Deference in Administrative Law
Authors: Daly Paul
Published: July 2012

In the modern administrative state, hundreds if not thousands of officials wield powers that can be used to the benefit or detriment of individuals and corporations. When the exercise of these powers is challenged, a great deal can be at stake. Courts are confronted with difficult questions about how to apply the general principles of administrative law in different contexts. Based on a comparative theoretical analysis of the allocation of authority between the organs of government, A Theory of Deference in Administrative Law provides courts with a methodology to apply no matter how complex the subject matter. The firm theoretical foundation of deference is fully exposed and a comprehensive doctrine of curial deference is developed for application by courts in judicial review of administrative action. A wide scope is urged, spanning the whole spectrum of government regulation, thereby ensuring wide access to public law remedies.
The Economic History of the Medieval Middle East: Strengths, Weaknesses, and the Challenges Ahead
Authors: Shatzmiller Maya
Published: July 2012

One may say that our field has had a respectable crop of scholars engaged in research and numerous important publications to its credit. Past investigations of the agricultural sector have included excellent coverage of taxation systems and tax rates, good coverage of cultivation methods and crops, not very thorough coverage of landholding patterns, and almost no studies of productivity rates. For the manufacturing sector we have very good coverage of manufacturing techniques and good coverage of labor organization and division of labor but little on the productivity rates of individual sectors such as textiles, on apprenticeship and wages for either skilled or unskilled labor, or on the relationship of wages to prices. We have important studies on both regional and long-distance trade and commerce, including on routes and trade-related institutions and on tools of trade such as credit and investment partnerships (qirād/commenda), and related studies regarding urbanization, exchange, and markets. The auxiliary fields of numismatics and archeology have yielded important studies on coinage and minting and on settlement patterns that are likely to improve our grasp of the economic history of the medieval Middle East. We also have at our disposal volumes of statistical data, collected from literary and documentary sources, on prices, wages, commodities, weights, measures, and coins. Several online projects scrutinizing data from primary sources, mainly papyri and Geniza documents, yield more figures, though mostly on the economic history of early Islamic societies. Among the lacunae are studies related to topics such as economic institutions, property rights, standards of living and inequality, GDP estimations, sector productivity, market integration, exogenous shocks, and economic growth.
Invariant syllable skeleton, complex segments and word edges
Authors: SCHEER TOBIAS
Published: July 2012

San Duanmu'sSyllable Structure: The Limits of Variationraises a number of questions that are of general interest for phonological theory. Of special interest here are: the genesis and management of linearity in complex segments, the place of analogy (or paradigm uniformity) in grammar, the role of morphology in accounting for phonological patterns, the balance of static (distributional patterns) and dynamic (phonological processes) evidence for syllable structure, the role of stress in syllabification, and the import of corpus-based data for phonological analysis. In each case, Duanmu's proposals are evaluated according to their intrinsic consistency, the empirical record and the relevant body of literature. Alternative ways of handling the phenomena are offered, and these are fairly traditional in most cases. Duanmu's book is particularly relevant in the current constitution of the field where the see-saw movement between computation and representations seems to swing back in direction of the latter after having long been immobilised on the computational end. Standing clearly on the representational side, the theory exposed in the book aims to show that all surface strings may be reduced to a fixed and invariant syllable template, C(onsonant)V(owel)X. This enterprise is interesting especially in presence of another representationally-oriented theory, CVCV (Lowenstamm 1996, Scheer 2004), which also aims at reducing surface variation to an invariant syllabic skeleton, made of a monotonic sequence of CV units. However, the CVX and the CVCV templates are quite distinct, and the strategies that are used in order to accommodate the surface string are opposite (shrinking in the former case, expanding in the latter).
Trajectory deconfliction with constraint programming
Authors: Barnier Nicolas , Allignol Cyril
Published: July 2012

As acknowledged by the SESAR (Single European Sky ATM (Air Traffic Management) Research) program, current Air Traffic Control (ATC) systems must be drastically improved to accommodate the predicted traffic growth in Europe. In this context, the Episode 3 project aims at assessing the performance of new ATM concepts, like 4D-trajectory planning and strategic deconfliction.

One of the bottlenecks impeding ATC performances is the hourly capacity constraints defined on each en-route ATC sector to limit the rate of aircraft. Previous works were mainly focused on optimizing the current ground holding slot allocation process devised to satisfy these constraints. We propose to estimate the cost of directly solving all conflicts in the upper airspace with ground holding, provided that aircraft were able to follow their trajectories accurately.

We present a Constraint Programming model of this large-scale combinatorial optimization problem and the results obtained with the FaCiLe (Functional Constraint Library). We study the effect of uncertainties on the departure time and estimate the cost of improving the robustness of our solutions with the Complete Air Traffic Simulator (CATS). Encouraging results were obtained without uncertainty but the costs of robust solutions are prohibitive. Our approach may however be improved, for example, with a prior flight level allocation and the dynamic resolution of remaining conflicts with one of CATS’ modules.
TCAS software verification using constraint programming
Authors: Gotlieb Arnaud
Published: July 2012

Safety-critical software must be thoroughly verified before being exploited in commercial applications. In particular, any TCAS (Traffic Alert and Collision Avoidance System) implementation must be verified against safety properties extracted from the anti-collision theory that regulates the controlled airspace. This verification step is currently realized with manual code reviews and testing. In our work, we explore the capabilities of Constraint Programming for automated software verification and testing. We built a dedicated constraint solving procedure that combines constraint propagation with Linear Programming to solve conditional disjunctive constraint systems over bounded integers extracted from computer programs and safety properties. An experience we made on verifying a publicly available TCAS component implementation against a set of safety-critical properties showed that this approach is viable and efficient.
Application of Electron Backscatter Diffraction for Crystallographic Characterization of Tin Whiskers
Authors: Michael Joseph R. , McKenzie Bonnie B. , Susan Donald F.
Published: July 2012

Understanding the growth of whiskers or high aspect ratio features on substrates can be aided when the crystallography of the feature is known. This study has evaluated three methods that utilize electron backscatter diffraction (EBSD) for the determination of the crystallographic growth direction of an individual whisker. EBSD has traditionally been a technique applied to planar, polished samples, and thus the use of EBSD for out-of-surface features is somewhat more difficult and requires additional steps. One of the methods requires the whiskers to be removed from the substrate resulting in the loss of valuable physical growth relationships between the whisker and the substrate. The other two techniques do not suffer this disadvantage and provide the physical growth information as well as the crystallographic growth directions. The final choice of method depends on the information required. The accuracy and the advantages and disadvantages of each method are discussed.
Social networks, support and early psychosis: a systematic review
Authors: Gayer-Anderson C. , Morgan C.
Published: July 2012

Background.

There is strong evidence that those with a long-standing psychotic disorder have fewer social contacts and less social support than comparison groups. There is less research on the extent of social contacts and support prior to or at the onset of psychosis. In the light of recent evidence implicating a range of social experiences and contexts at the onset of psychosis, it is relevant to establish whether social networks and support diminished before or at the time of onset and whether the absence of such supports might contribute to risk, either directly or indirectly. We, therefore, conducted a systematic review of this literature to establish what is currently known about the relationship between social networks, support and early psychosis.

Methods.

We identified all studies investigating social networks and support in first episode psychosis samples and in general population samples with measures of psychotic experiences or schizotype by conducting systematic searches of electronic databases using pre-defined search terms and criteria. Findings were synthesized using non-quantitative approaches.

Results.

Thirty-eight papers were identified that met inclusion criteria. There was marked methodological heterogeneity, which limits the capacity to draw direct comparisons. Nonetheless, the existing literature suggests social networks (particularly close friends) and support diminished both among first episode samples and among non-clinical samples reporting psychotic experiences or with schizotype traits, compared with varying comparison groups. These differences may be more marked for men and for those from minority ethnic populations.

Conclusions.

Tentatively, reduced social networks and support appear to pre-date onset of psychotic disorder. However, the substantial methodological heterogeneity among the existing studies makes comparisons difficult and suggests a need for more robust and comparable studies on networks, support and early psychosis.
Kognitive Basisfunktionen und motorisch-koordinative Kompetenzen in Abhängigkeit des Peerstatus bei Kindern zu Beginn der Schulzeit
Authors: Kauer Marianne , Roebers Claudia M.
Published: July 2012

Zusammenfassung. In der vorliegenden Studie wird der Frage nachgegangen, ob sich zwischen beliebten, durchschnittlichen, unbeachteten und zurückgewiesenen Kindern Unterschiede in spezifischen kognitiven und motorischen Fähigkeiten finden lassen. Zu drei verschiedenen Zeitpunkten wurden mit 177 regulär eingeschulten 7-jährigen Kindern Peernominationen und Peerratings erhoben, um reliable soziometrische Daten zu erhalten und ein Vergleich der beiden Methoden vorzunehmen. Außerdem wurde eine umfassende Testbatterie von insgesamt 20 Aufgaben in den Bereichen Informationsverarbeitungsgeschwindigkeit, Kurzzeit- und Arbeitsgedächtnis, Inhibition, Sprache und Motorik durchgeführt. Mit Ausnahme der Kurzzeitgedächtniskapazität wurden für alle Funktionsbereiche signifikante Unterschiede zwischen den Statusgruppen gefunden. Die kontinuierlichen soziometrischen Werte der Ratingmethode zeigten sich etwas sensitiver als die der Nominationsmethode. Korrelativ wurde mit beiden Methoden ersichtlich, dass bessere Leistungen im kognitiven und motorischen Bereich nicht nur mit mehr Beliebtheit zusammenhingen, sondern auch, dass schlechte Leistungen in Verbindung standen mit sozialer Zurückweisung.
Modeling colloid and microorganism transport and release with transients in solution ionic strength
Authors: Bradford Scott A. , Torkzaban Saeed , Kim Hyunjung , Simunek Jiri
Published: July 2012

The transport and fate of colloids, microorganisms, and nanoparticles in subsurface environments is strongly influenced by transients in solution ionic strength (IS). A sophisticated dual‐permeability transport model was modified and a theory was developed to mechanistically account for the transport, retention, and release of colloids with transients in IS. In particular, colloid release in the model was directly related to the balance of applied hydrodynamic and resisting adhesive torques that determined the fraction of the solid surface area that contributed to colloid immobilization (Sf). The colloid sticking efficiency (α) and Sf were explicit functions of IS that determined the rates of colloid interaction with the solid, immobilization on the solid, colloid release from the solid and back into the bulk aqueous phase, and the maximum amount of colloid retention. The developed model was used to analyze experimental transport and release data with transients in IS for 1.1 and 0.11 μm latex microspheres, E. coli D21g, and coliphage ϕX174. Comparison of experimental values of Sf(IS) with predictions based on mean interaction energies indicated that predictions needed to account for the influence of physical and/or chemical heterogeneity on colloid immobilization. This was especially true for smaller colloids because they were more sensitive to microscopic heterogeneities that produced mainly irreversible interaction in a primary minimum and greater hysteresis in Sf(IS) with IS. Significant deviations between experimental and predicted values of α(IS) were observed for larger colloids when hydrodynamic forces were not accounted for in the predictions. A sensitivity analysis indicated that colloid release with IS transients was not diffusion controlled, but rather occurred rapidly and with low levels of dispersion. The calibrated model provided a satisfactory description of the observed release behavior for a range of colloid types and sizes and a general theoretical foundation to develop predictions for the influence of solution chemistry on the transport, retention, and release of colloids.