bluuebunny/crossref_metadata_2025 huggingface dataset:
Influence of microvascular resistance on fractional flow reserve after successful percutaneous coronary intervention
Authors: Murai Tadashi , Lee Tetsumin , Yonetsu Taishi , Isobe Mitsuaki , Kakuta Tsunekazu
Published: March 2014

Objectives and Background

Increased microvascular resistance may impair hyperemic coronary flow by limiting the maximal and constant vasodilation, resulting in increased fractional flow reserve (FFR) due to the underestimation of the translesional pressure gradient. We examined whether microvascular resistance affects FFR after successful percutaneous coronary intervention (PCI). Methods and Results: We measured FFR and the index of microcirculatory resistance (IMR) in 104 coronary arteries of 98 patients after successful elective stenting. FFR values were compared according to the quartiles of the IMR values. Coronary flow was assessed using the hyperemic mean transit time (Tmn). The IMR values for the interquartile ranges of 8.5–11.3, 13.9–16.3, 20.9–24.5, and 34.2–61.6 were 10.2, 15.1, 22.8, and 38.2, respectively. Both FFR and Tmn values differed significantly across the IMR quartiles (P < 0.001). The angiographic and intravascular ultrasound findings and post‐PCI cardiac troponin levels showed no significant difference across the IMR quartiles. Multivariate logistic regression analysis revealed that the left anterior descending artery lesion location (odds ratio [OR] 0.17, 95% confidence interval [CI] 0.06–0.49, P = 0.001), IMR (OR 1.05, 95% CI 1.01–1.09, P = 0.012), and minimal cross‐sectional lumen area (OR 1.49, 95% CI 1.03–2.17, P = 0.036) were independent predictors of increased FFR. Conclusions: Increased microvascular resistance may reduce coronary flow and increase FFR after successful elective PCI. © 2014 Wiley Periodicals, Inc. © 2014 Wiley Periodicals, Inc.
The NICS‐XY‐Scan: Identification of Local and Global Ring Currents in Multi‐Ring Systems
Authors: Gershoni‐Poranne Renana , Stanger Amnon
Published: March 2014

Nucleus‐independent chemical shift (NICS)‐based methods are very popular for the determination of the induced magnetic field under an external magnetic field. These methods are used mostly (but not only) for the determination of the aromaticity and antiaromaticity of molecules and ions, both qualitatively and quantitatively. The ghost atom that serves as the NICS probe senses the induced magnetic field and reports it in the form of an NMR chemical shift. However, the source of the field cannot be determined by NICS. Thus, in a multi‐ring system that may contain more than one induced current circuit (and therefore more than one source of the induced magnetic field) the NICS value may represent the sum of many induced magnetic fields. This may lead to wrong assignments of the aromaticity (and antiaromaticity) of the systems under study. In this paper, we present a NICS‐based method for the determination of local and global ring currents in conjugated multi‐ring systems. The method involves placing the NICS probes along the X axis, and if needed, along the Y axis, at a constant height above the system under study. Following the change in the induced field along these axes allows the identification of global and local induced currents. The best NICS type to use for these scans is NICSπZZ, but it is shown that at a height of 1.7 Å above the molecular plane, NICSZZ provides the same qualitative picture. This method, namely the NICS‐XY‐scan, gives information equivalent to that obtained through current density analysis methods, and in some cases, provides even more details.
A Microporous Anionic Metal–Organic Framework for Sensing Luminescence of Lanthanide(III) Ions and Selective Absorption of Dyes by Ionic Exchange
Authors: Qin Jun‐Sheng , Zhang Shu‐Ran , Du Dong‐Ying , Shen Ping , Bao Shao‐Juan , Lan Ya‐Qian , Su Zhong‐Min
Published: March 2014

Herein, a novel anionic framework with primitive centered cubic (pcu) topology, [(CH3)2NH2]4[(Zn4dttz6)Zn3]⋅15 DMF⋅4.5 H2O, (IFMC‐2; H3dttz=4,5‐di(1H‐tetrazol‐5‐yl)‐2H‐1,2,3‐triazole) was solvothermally isolated. A new example of a tetranuclear zinc cluster {Zn4dttz6} served as a secondary building unit in IFMC‐2. Furthermore, the metal cluster was connected by ZnII ions to give rise to a 3D open microporous structure. The lanthanide(III)‐loaded metal–organic framework (MOF) materials Ln3+@IFMC‐2, were successfully prepared by using ion‐exchange experiments owing to the anionic framework of IFMC‐2. Moreover, the emission spectra of the as‐prepared Ln3+@IFMC‐2 were investigated, and the results suggested that IFMC‐2 could be utilized as a potential luminescent probe toward different Ln3+ ions. Additionally, the absorption ability of IFMC‐2 toward ionic dyes was also performed. Cationic dyes can be absorbed, but not neutral and anionic dyes, thus indicating that IFMC‐2 exhibits selective absorption toward cationic dyes. Furthermore, the cationic dyes can be gradually released in the presence of NaCl.
ChemInform Abstract: Investigation of the Phase Formation and Dielectric Properties of Bi7Ta3O18.
Authors: Chon M. P. , Tan K. B. , Khaw C. C. , Zainal Z. , Taufiq Yap Y. H. , Chen S. K. , Tan P. Y.
Published: March 2014

Polycrystalline Bi7Ta3O18 is prepared by firing a stoichiometric mixture of Bi2O3 and Ta2O5 (Pt boat, 950 °C, 18 h).
ChemInform Abstract: The V—Cu—Sb Ternary System at 773 K: Crystal, Band Structure, and Physical Properties.
Authors: Konyk M. , Romaka L. , Demchenko P. , Romaka V. V. , Stadnyk Yu. , Horyn A.
Published: March 2014

The V—Cu—Sb ternary system is studied over the whole concentration range at 773 K by powder XRD and electron probe microanalyses.
ChemInform Abstract: One Step Preparation of a High Performance Ge—C Nanocomposite Anode for Lithium Ion Batteries by Tandem Plasma Reactions.
Authors: Li Wei , Zheng Jie , Chen Tiankai , Wang Teng , Wang Xiaojuan , Li Xingguo
Published: March 2014

Ultrafine Ge nanoparticles embedded in a carbon matrix are prepared in a tandem plasma reactor.
ChemInform Abstract: Facile Synthesis of Li2MnO3 Nanowires for Lithium‐Ion Battery Cathodes.
Authors: Wu Xiaomin , Li Huan , Fei Hailong , Zheng Cheng , Wei Mingdeng
Published: March 2014

Li2MnO3 nanowires with a good electrochemical performance are prepared by a low‐temperature molten salt method using a mixture of Mn2O3 nanowires and excess LiNO3 (540 °C, 3 h) with the nanowires obtained from a mixture of NaNO3 and MnF2 under the same reaction conditions.
ChemInform Abstract: Explorations of New Second‐Order Nonlinear Optical Materials in the Ternary Rubidium Iodate System: Noncentrosymmetric β‐RbIO3(HIO3)2 and Centrosymmetric Rb3(IO3)3(I2O5) (HIO3)4(H2O).
Authors: Xu Xiang , Yang Bing‐Ping , Huang Chao , Mao Jiang‐Gao
Published: March 2014

The structures of the new compounds (III) and (IV) are determined by single crystal XRD.
ChemInform Abstract: Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T= Rh and Ir) Compounds.
Authors: Maurya Arvind , Thamizhavel Arumugam , Provino Alessia , Pani Marcella , Manfrinetti Pietro , Paudyal Durga , Dhar Sudesh Kumar
Published: March 2014

Single crystals of the title compounds are prepared from the elements using an eutectic Al—Si mixture as a flux (alumina crucible, 1100 °C, 24 h).
ChemInform Abstract: Coordinating Chiral Ionic Liquids.
Authors: Vasiloiu Maria , Leder Sonja , Gaertner Peter , Mereiter Kurt , Bica Katharina
Published: March 2014

The synthesis of a series of novel chiral ionic liquids with an amino alcohol structural motif is developed starting from commercially available amino alcohols.
ChemInform Abstract: A Novel Organocatalytic Asymmetric Transfer Hydrogenation of α,β‐Unsaturated Aldehydes.
Authors: Zhang Bao‐Hua , Shi Lan‐Xiang , Guo Rui‐Xia
Published: March 2014

α,β‐Unsaturated aldehydes (I) react with diimide in the presence of an optically active ammonium salt as catalyst to give the corresponding saturated aldehydes (II) in high yields and enantioselectivities.
ChemInform Abstract: Thermolysis of Trifluoromethyl‐Containing Vinyldiazocarbonyl Compounds and X‐Ray Crystal Structure Analysis of Unexpected Reaction Products.
Authors: Nikolaev Valerij A. , Supurgibekov Murat B. , Haiges Ralf , Linden Anthony , Prakash G. K. Surya
Published: March 2014

Thermolysis of the title compounds results in the formation of different products due to different pathways of decomposition.
ChemInform Abstract: Nucleophilic Substitution of Azide Acting as a Pseudo Leaving Group: One‐Step Synthesis of Various Aza Heterocycles.
Authors: Doebelin Christelle , Schmitt Martine , Antheaume Cyril , Bourguignon Jean‐Jacques , Bihel Frederic
Published: March 2014

It is found that 3‐azidopropanoic acid reacts with carbodiimides to afford a six‐membered ring intermediate.
ChemInform Abstract: Metal‐Free Carbonitration of Alkenes Using K2S2O8.
Authors: Li Ya‐Min , Wei Xiao‐Hong , Li Xi‐An , Yang Shang‐Dong
Published: March 2014

A novel metal‐free oxidative carbonitration of alkenes (I) and (III) by a nitration and C—H functionalization cascade process is reported.
ChemInform Abstract: Chiral Hybrid Inorganic—Organic Materials: Synthesis, Characterization, and Application in Stereoselective Organocatalytic Cycloadditions.
Authors: Puglisi Alessandra , Benaglia Maurizio , Annunziata Rita , Chiroli Valerio , Porta Riccardo , Gervasini Antonella
Published: March 2014

The chiral imidazolidinone (SMI) immobilized on mesoporous silica nanoparticles, efficiently promotes the asymmetric cycloaddition of unsaturated aldehydes to cyclopentadiene.
ChemInform Abstract: Palladium‐Catalyzed Oxidative Coupling of Aromatic Primary Amines and Alkenes under Molecular Oxygen: Stereoselective Assembly of (Z)‐Enamines.
Authors: Ji Xiaochen , Huang Huawen , Wu Wanqing , Li Xianwei , Jiang Huanfeng
Published: March 2014

The title reaction allows an efficient, highly regio‐ and stereoselective access to aromatic (Z)‐enamines.
ChemInform Abstract: Synthesis of Enantioenriched Tertiary Boronic Esters by the Lithiation/Borylation of Secondary Alkyl Benzoates.
Authors: Pulis Alexander P. , Blair Daniel J. , Torres Eva , Aggarwal Varinder K.
Published: March 2014

Unactivated secondary Tib esters react to afford a range of neopentyl boronic esters, which are transformed to the corresponding tertiary alcohols in high yields and generally high enantioselectivities.
ChemInform Abstract: Ruthenium‐ and Rhodium‐Catalyzed Oxidative Alkylation of C—H Bonds: Efficient Access to β‐Aryl Ketones.
Authors: Qi Ji , Huang Liangbin , Wang Zhaoyang , Jiang Huanfeng
Published: March 2014

A Ru‐catalyzed amide‐directed C—H alkylation and a Rh‐catalyzed pyridine‐ or pyrimidine‐directed C—H alkylation of arenes with allylic alcohols (II) and (V) is reported.
ChemInform Abstract: Selective Catalytic Oxidation of Alcohols, Aldehydes, Alkanes and Alkenes Employing Manganese Catalysts and Hydrogen Peroxide.
Authors: Saisaha Pattama , Buettner Lea , van der Meer Margarethe , Hage Ronald , Feringa Ben L. , Browne Wesley R. , de Boer Johannes W.
Published: March 2014

Oxidation of a wide range of organic substrates to ketones or carboxylic acids is developed using aqueous hydrogen peroxide in the presence of a binary Mn‐complex as a catalyst and carboxylic acids as a co‐catalyst.
ChemInform Abstract: Radical Migration—Addition of N‐tert‐Butanesulfinyl Imines with Organozinc Reagents.
Authors: Huang Wei , Ye Jian‐Liang , Zheng Wei , Dong Han‐Qing , Wei Bang‐Guo
Published: March 2014

The reaction of tert‐butanesulfinyl iminoacetate (Ia) with benzyl zinc bromides results in unusual formation of migration—addition products without any catalyst.
ChemInform Abstract: Rhodium(III)‐Catalyzed Direct Regioselective Synthesis of 7‐Substituted Indoles.
Authors: Song Zengqiang , Samanta Rajarshi , Antonchick Andrey P.
Published: March 2014

An efficient, atom‐economic one‐pot method is developed for the preparation of 7‐substituted indoles via rhodium(III)‐catalyzed oxidative cross‐coupling.
ChemInform Abstract: Enantioselective Organocatalytic Addition of Nitroalkanes to Oxindolylideneindolenines for the Construction of Chiral 3,3‐Disubstituted Oxindoles.
Authors: Huang Jian‐Zhou , Wu Xiang , Gong Liu‐Zhu
Published: March 2014

The title addition reaction proceeds in the presence of a cinchona‐derived urea as the optically active catalyst to give 3,3‐disubstituted oxindoles in high yields and excellent enantioselectivties.
ChemInform Abstract: Preparation of (‐)‐Nutlin‐3 Using Enantioselective Organocatalysis at Decagram Scale.
Authors: Davis Tyler A. , Vilgelm Anna E. , Richmond Ann , Johnston Jeffrey N.
Published: March 2014

The target compound is synthesized in 13 steps with a longest linear sequence of 8 steps.
ChemInform Abstract: Reaction of 3‐Arylhydrazono‐3H‐furan‐2‐ones with o‐Phenylenediamine.
Authors: Maiorova O. A. , Egorova A. Yu.
Published: March 2014

The title reaction results in the formation of pyrazolyl‐benzimidazoles (III) or benzopyrroloimidazolones (IV) depending on the reaction conditions.
ChemInform Abstract: An Improved Protocol for Synthesis of N‐Arylamides and Benzoxazoles by the Copper‐Catalyzed Reaction of Aryl Halides with Nitriles.
Authors: Zhang Dong‐Xue , Xiang Shi‐Kai , Hu Hao , Tan Wen , Feng Chun , Wang Bi‐Qin , Zhao Ke‐Qing , Hu Ping , Yang Hua
Published: March 2014

Atom‐efficient and environmentally benign syntheses of title amides [(III) and (V)] and benzoxazoles [(VII) and (IX)] are accomplished by an improved protocol using acetaldoxime instead of H2O as hydrolysis agent to facilitate the operation of the reaction.
ChemInform Abstract: Controllable Synthesis of Bis(1,2,3‐triazole)s and 5‐Alkynyl‐triazoles via Temperature Effect on Copper‐Catalyzed Huisgen Cycloaddition.
Authors: Li Lingjun , Fan Xincui , Zhang Yang , Zhu Anlian , Zhang Guisheng
Published: March 2014

Alkynyltriazoles and bis‐triazoles including nucleoside analogues are prepared under different reaction temperatures.
ChemInform Abstract: H6P2W18O62·18H2 O: A Green and Reusable Catalyst for One‐Pot Synthesis of Pyrano[4,3‐b]pyrans in Water
Authors: Rajguru Deepika , Keshwal Balwant S. , Jain Shubha
Published: March 2014

via a one‐pot three‐component reaction
ChemInform Abstract: Arylation of Pyridines via Suzuki—Miyaura Cross‐Coupling and Pyridine‐Directed C—H Activation Using a Continuous‐Flow Approach.
Authors: Christakakou Maria , Schoen Michael , Schnuerch Michael , Mihovilovic Marko D.
Published: March 2014

Suzuki—Miyaura coupling and arylation reactions of 2‐phenylpyridine are performed by using continuous flow conditions.
ChemInform Abstract: Direct Access to Iminosugars Through an Interrupted Kondrat′eva Reaction.
Authors: Qadoumi Zena , Senior James , Bergeron‐Brlek Milan , Britton Robert
Published: March 2014

A convenient one‐pot procedure is developed for the conversion of substrate (I) into iminosugar (III).
ChemInform Abstract: Synthesis of Isoquinoline Derivatives Through Rhodium(III)‐Catalyzed Reactions of Benzylamines with Non‐Terminal Alkynes.
Authors: Kim Dong‐Su , Park Jung‐Woo , Jun Chul‐Ho
Published: March 2014

The Rh(III)‐catalyzed N‐annulation of primary, secondary, and tertiary benzylamines with internal alkynes is developed.
ChemInform Abstract: A Novel and Convenient Strategy for the Synthesis of Phthalazines from an Aryne Precursor.
Authors: Bel Abed Hassen , Bande Omprakash , Mammoliti Oscar , Van Lommen Guy , Herdewijn Piet
Published: March 2014

The novel three‐step synthesis for the synthesis of phthalazines involves direct acyl‐alkylation of in situ generated arynes, azide transfer reaction and Diaza‐Wittig reaction.
ChemInform Abstract: Synthesis of Pyrido[2,1‐a]isoquinolin‐4‐ones and Oxazino[2,3‐a]isoquinolin‐4‐ones: New Inhibitors of Mitochondrial Respiratory Chain.
Authors: Moreno Laura , Cabedo Nuria , Boulange Agathe , Parraga Javier , Galan Abraham , Leleu Stephane , Sanz Maria‐Jesus , Cortes Diego , Franck Xavier
Published: March 2014

Most of the new compounds are able to inhibit mitochondrial respiratory chain.
ChemInform Abstract: Synthesis and in vitro/in vivo Antibacterial Activity of Oxazolidinones Having Thiocarbamate at C‐5 on the A‐Ring and an Amide‐ or Urea‐Substituted [1,2,5]Triazepane or [1,2,5]Oxadiazepane as the C‐Ring.
Authors: Suzuki Hideyuki , Utsunomiya Iwao , Shudo Koichi , Fukuhara Norio , Iwaki Tsutomu , Yasukata Tatsuro
Published: March 2014

Oxazolidinones (Vb), (VII), and (IX) show 2‐ to 3‐fold greater antibacterial activities against Gram‐positive, Gram‐negative and linezolid‐resistent pathogens than linezolid in a systemic mouse infection model.
ChemInform Abstract: Unexpected Insertion of CO2 into the Pentacoordinate P—N Bond: Atherton—Todd‐Type Reaction of Hydrospirophosphorane with Amines.
Authors: Cao Shuxia , Gao Peng , Guo Yanchun , Zhao Huamin , Wang Jun , Liu Yifan , Zhao Yufen
Published: March 2014

Base‐mediated treatment of hydrospirophosphoranes with secondary amines results in the formation of phosphorane carbamates via unexpected CO2 insertion.
ChemInform Abstract: An Expedient Ultrasonic Assisted One‐Pot Four Component Synthesis of Novel Ferrocene Grafted Pyrrolidine Heterocycles via [3 + 2]‐Cycloaddition of Azomethine Ylides.
Authors: Babu A. R. Suresh , Gavaskar D. , Raghunathan R.
Published: March 2014

Sequential heterocyclization of ninhydrin with phenylenediamine, condensation with sarcosine, and thermal decarboxylation provides an azomethine ylide intermediate.
ChemInform Abstract: Structurally Diverse Hamigerans from the New Zealand Marine Sponge Hamigera tarangaensis: NMR‐Directed Isolation, Structure Elucidation and Antifungal Activity.
Authors: Singh A. Jonathan , Dattelbaum Jonathan D. , Field Jessica J. , Smart Zlatka , Woolly Ethan F. , Barber Jacqueline M. , Heathcott Rosemary , Miller John H. , Northcote Peter T.
Published: March 2014

All new hamigerans exhibit micromolar activitiy towards the promyelocytic leukaemic cell line HL60.
ChemInform Abstract: Lanostane Triterpenes from Ceriporia lacerate HS‐ZJUT‐C13A, a Fungal Endophyte of Huperzia serrata
Authors: Ying You‐Min , Shan Wei‐Guang , Zhang Li‐Wen , Chen Yan , Zhan Zha‐Jun
Published: March 2014

isolation and structure elucidation of two new lanostane triterpenes (I) and (II) along with four known analogs
ChemInform Abstract: Synthesis and Cytotoxic Activity of Some Novel Steroidal C‐17 Pyrazolinyl Derivatives.
Authors: Fan Ning‐Juan , Tang Jiang‐Jiang , Li He , Li Xiao‐Jun , Luo Bo , Gao Jin‐Ming
Published: March 2014

Some of the synthesized compounds (III) (14 examples) exhibit significant cytotoxic activities.
ChemInform Abstract: Total Synthesis of (+)‐Lysergic Acid.
Authors: Liu Qiang , Zhang Yu‐An , Xu Ping , Jia Yanxing
Published: March 2014

Two different ways for the synthesis of the target compound are described and an additional unsuccessful approach is discussed.
ChemInform Abstract: The Contribution of Natural Hydroxyapatite to the Development of Bone Substitutes
Authors: Lombardi M. , Palmero P. , Haberko K. , Pyda W. , Montanaro L.
Published: March 2014

Review: 17 refs.
ChemInform Abstract: Helical‐Chiral Small Molecules in Asymmetric Catalysis
Authors: Narcis Maurice J. , Takenaka Norito
Published: March 2014

Review: design, synthesis and use of helical‐chiral small molecules in asymmetric catalysis; 44 refs.
ChemInform Abstract: Si—CN Bond Cleavage of Silyl Cyanides by an Iron Catalyst. A New Route of Silyl Cyanide Formation
Authors: Renzetti Andrea , Koga Nobuaki , Nakazawa Hiroshi
Published: March 2014

Review: 37 refs.
ChemInform Abstract: Catalytic Asymmetric Aza‐Diels—Alder Reactions: The Povarov Cycloaddition Reaction
Authors: Fochi Mariafrancesca , Caruana Lorenzo , Bernardi Luca
Published: March 2014

Review: 86 refs.
ChemInform Abstract: The Influence of Fluorine in Asymmetric Catalysis
Authors: Cahard Dominique , Bizet Vincent
Published: March 2014

Review: 47 refs.
ChemInform Abstract: On the Metal Ion Selectivity of Oxoacid Extractants
Authors: Hay Benjamin P. , Chagnes Alexandre , Cote Gerard
Published: March 2014

Review: 22 refs.
ChemInform Abstract: Natural Product Biosynthesis It′s All Downhill from Here
Authors: Hornsby Charles E. , Paton Robert S.
Published: March 2014

Review: 7 refs.
ChemInform Abstract: Porous Graphene Materials for Advanced Electrochemical Energy Storage and Conversion Devices
Authors: Han Sheng , Wu Dongqing , Li Shuang , Zhang Fan , Feng Xinliang
Published: March 2014

Review: 130 refs.
Simplified Silvestrol Analogues with Potent Cytotoxic Activity
Authors: Hawkins Bill C. , Lindqvist Lisa M. , Nhu Duong , Sharp Phillip P. , Segal David , Powell Andrew K. , Campbell Michael , Ryan Eileen , Chambers Jennifer M. , White Jonathan M. , Rizzacasa Mark A. , Lessene Guillaume , Huang David C. S. , Burns Christopher J.
Published: March 2014

The complex natural products silvestrol (1) and episilvestrol (2) are inhibitors of translation initiation through binding to the DEAD‐box helicase eukaryotic initiation factor 4A (eIF4A). Both compounds are potently cytotoxic to cancer cells in vitro, and 1 has demonstrated efficacy in vivo in several xenograft cancer models. Here we show that 2 has limited plasma membrane permeability and is metabolized in liver microsomes in a manner consistent with that reported for 1. In addition, we have prepared a series of analogues of these compounds where the complex pseudo‐sugar at C6 has been replaced with chemically simpler moieties to improve drug‐likeness. Selected compounds from this work possess excellent activity in biochemical and cellular translation assays with potent activity against leukemia cell lines.
Impact of the accuracy of automatic segmentation of cell nuclei clusters on classification of thyroid follicular lesions
Authors: Jung Chanho , Kim Changick
Published: March 2014

Automatic segmentation of cell nuclei clusters is a key building block in systems for quantitative analysis of microscopy cell images. For that reason, it has received a great attention over the last decade, and diverse automatic approaches to segment clustered nuclei with varying levels of performance under different test conditions have been proposed in literature. To the best of our knowledge, however, so far there is no comparative study on the methods. This study is a first attempt to fill this research gap. More precisely, the purpose of this study is to present an objective performance comparison of existing state‐of‐the‐art segmentation methods. Particularly, the impact of their accuracy on classification of thyroid follicular lesions is also investigated “quantitatively” under the same experimental condition, to evaluate the applicability of the methods. Thirteen different segmentation approaches are compared in terms of not only errors in nuclei segmentation and delineation, but also their impact on the performance of system to classify thyroid follicular lesions using different metrics (e.g., diagnostic accuracy, sensitivity, specificity, etc.). Extensive experiments have been conducted on a total of 204 digitized thyroid biopsy specimens. Our study demonstrates that significant diagnostic errors can be avoided using more advanced segmentation approaches. We believe that this comprehensive comparative study serves as a reference point and guide for developers and practitioners in choosing an appropriate automatic segmentation technique adopted for building automated systems for specifically classifying follicular thyroid lesions. © 2014 International Society for Advancement of Cytometry
Distinct roles for hu li tai shao and swallow in cytoskeletal organization during Drosophila oogenesis
Authors: Pokrywka Nancy Jo , Zhang Huadi , Raley‐Susman Kathleen
Published: March 2014

Background: Cytoskeletal organization is essential for localization of developmentally significant molecules during Drosophila oogenesis. Swallow (Swa) and an isoform of Hu li tai shao (Ovhts‐RC) have been implicated in the organization of actin filaments in developing oocytes but their precise roles have been obscured by the dependence of hts RNA localization on swa function. The functional significance of hts RNA localization in the oocyte has not been established. Results: In this study we examine Ovhts‐RC distribution and cytoskeletal organization under conditions in which Swa protein and/or hts RNA localization are perturbed. We find Swa is required for overall actin organization and for the maintenance of a distinct subset of microtubules in the oocyte. hts RNA localization modulates the distribution of Ovhts‐RC in the oocyte and, in turn, local actin filament proliferation. Conclusions: Our results support separate contributions of Swa and hts RNA localization to actin organization during oogenesis. Swa is crucial for the organization of actin networks that lead to the formation of a specialized microtubule population, while Ovhts‐RC acts to modulate spatially restricted actin filament growth at the oocyte cortex. This suggests RNA localization can lead to modifications of both the actin and microtubule cytoskeletons at specific subcellular locales. Developmental Dynamics 243:906–916, 2014. © 2014 The Authors Developmental Dynamics published by Wiley Periodicals, Inc. on behalf of American Association of Anatomists
Sodium “Activation” of Silano‐Phosphonate Modified Mesoporous TiO2 Leading to Improved Rare‐Earth Element Extraction
Authors: Moloney Mícheál P. , Causse Jérémy , Loubat Cedric , Grandjean Agnès
Published: March 2014

Due to their presence in most modern electronic devices and as waste products in the nuclear cycle, a great deal of interest has been generated in the acquisition and/or recycling/removal of rare‐earth elements (REE). Here, we present a simple one‐pot route for the preparation of dimethylphosphatoethyltriethoxysilane (SiP) functionalised mesoporous TiO2 particles. The resistance of TiO2 to strong bases allowed for the use of NaOH to “activate” the phosphonate head group of the functionality, significantly improving its efficiency. Levels of 92.6 mg/g Ce3+ were extracted from water, which is double the previously reported value for the extraction of REEs with this type of extractant. SiP‐TiO2 (Na) was also used to separate completely the Ce3+ from aqueous solutions containing Sr2+ and Cs+. Finally, the nanocomposite separated Ce3+ from other homovalent REEs, for example, Yb3+ (1:1.4 separation ratio).
Selective Suzuki–Miyaura Monocouplings with Symmetrical Dibromoarenes and Aryl Ditriflates for the One‐Pot Synthesis of Unsymmetrical Triaryls
Authors: Minard Corinne , Palacio Carole , Cariou Kevin , Dodd Robert H.
Published: March 2014

The various parameters that would permit selective Suzuki–Miyaura monocouplings of symmetrical dihaloarenes were studied. High selectivity and efficiency can be obtained for a broad range of substrates by using operationally simple conditions and widely available reagents. The 38 different examples described provide a valuable toolbox for the rapid access to unsymmetrical triaryls, as illustrated by the preparation of diarylpyridine 8, terphenyl 9, and diarylpyrrole 10.
Facile Formation of Methylenebis(chalcone)s through Unprecedented Methylenation Reaction. Application to Antiparasitic and Natural Product Synthesis
Authors: Thévenin Marion , Mouray Elisabeth , Grellier Philippe , Dubois Joëlle
Published: March 2014

The formation of methylenebis(chalcone)s has been discovered during deprotection with methoxymethyl groups from trihydroxychalcones. Studies on this methylenation reaction led to a mechanism hypothesis that was extended to other chalcones and to dihydrochalcone, acetophenone, benzophenone and flavone derivatives. This new method was applied to the rapid synthesis of natural product piperanduncin C. These original methylenebis compounds were also evaluated for their antiparasitic activity.
O‐Trifluoromethylation of N,N‐Disubstituted Hydroxylamines with Hypervalent Iodine Reagents
Authors: Matoušek Václav , Pietrasiak Ewa , Sigrist Lukas , Czarniecki Barbara , Togni Antonio
Published: March 2014

A mild trifluoromethylation reaction of N,N‐disubstituted hydroxylamines that is tolerant towards a variety of functional groups, including nitriles, alcohols, ketones, esters, amides, imides, and nitrogen heterocycles, is reported. The key feature of this reaction is the activation of the CF3 reagent with either trimethylsilyl triflate or LiClO4 and partial or full deprotonation of the substrate with tetramethylguanidine or lithium diisopropylamide. Products were obtained in up to 80 % yield. Preliminary mechanistic studies suggested that the reaction follows a radical pathway in which the deprotonated hydroxylamine and a Lewis or Brønsted acid activated CF3 reagent engages in a single‐electron‐transfer step to generate a pair of radicals that recombine to afford the desired product. The trifluoromethylation procedure was successfully used in the modification of secondary nitrogen groups of pharmaceutically relevant targets (Fluoxetine and Mefloquine), which afforded new derivatives containing a novel N‐trifluoromethoxy moiety.
Li2−xFe1−xAlxSiO4/C Nanocomposites Cathodes for Lithium‐Ion Batteries
Authors: Gao Hai‐yan , Hu Zhe , Yang Jin‐gang , Chen Jun
Published: March 2014

Recently, Li2FeSiO4 has been identified as one of the most attractive cathode materials for lithium‐ion batteries because it has the ability to exchange more than one Li+ per redox‐active transition‐metal ion. However, this material behavior has been difficult to realize at room temperature due to the redox reaction of Fe3+/Fe4+. In this article, Li2−xFe1−xAlxSiO4/C (x=0, 0.01, 0.03, 0.05, 0.08, 0.12, and 1) nanocomposites were synthesized by using a facile sol–gel method and shown to exhibit much improved electrochemical performance at room temperature. It was found that after doping, two charge–discharge potential plateaus could be clearly obtained. In particular, the examined system, Li1.97Fe0.97Al0.03SiO4/C showed the best electrochemical performance with 209.3 mAh g−1 at 0.2 C, corresponding to a release of 1.26 Li+ per molecule.
Cross‐Case Analysis and Implications for Research, Theory, and Practice
Authors: Cousins J. Bradley , Bourgeois Isabelle
Published: March 2014

Chapter 2 of this volume provided a close look at the evaluation capacity of eight distinct organizations. The organizations were selected on the basis of their interest in and commitment to evaluation as leverage for program and organizational change. Having examined each of the organizations in terms of context, evaluation drivers, evaluation capacity to do and use evaluation, and forces and factors that affect such capacity, this chapter looks across them in order to learn more about the complexities of evaluation capacity. Beginning with a cross‐case lens, we recapitulate what we found from the cases about organizational evaluation capacity and then present an emergent thematic analysis and discussion. The chapter ends with some implications for research, theory, and practice in the area.
Using Multivariate Densities to Assign Lattice Probabilities When There Are Jumps
Authors: Hilliard Jimmy E. , Hilliard Jitka
Published: March 2014

The lattice approximation to a continuous time process is an especially useful way to value American and real options. We choose lattice probabilities by extending density matching for diffusions to density matching for jump diffusions. Technically, this requires that diffusion and jump components be cast as independent state variables. In this setup, the diffusion probabilities are locally normal and the jump probabilities are locally a mixture of distributions. The lattice is structurally uniform and density matching ensures that all probabilities are legitimate without requiring jumps to non‐adjacent nodes. The approach generalizes easily to several state variables, does not require node adjustments, and does not appear to be dominated by more specialized numerical algorithms. We demonstrate the model for scenarios where the option may depend on a jump diffusion with possible stochastic interest rates and convenience yields. © 2014 Wiley Periodicals, Inc. Jrl Fut Mark 35:385–398, 2015
“Orthogonality” in Learning and Assessment
Authors: Leslie David
Published: March 2014

This chapter proposes a simple framework, “orthogonality,” to help clarify what stakeholders think about learning in college, how we assess outcomes, and how clear assessment methods might help increase confidence in returns on investment.
Constructing an Overarching Framework for Learning—Connecting the Dots
Authors: Amey Marilyn J.
Published: March 2014

This chapter highlights a variety of ways researchers use learning theories with respect to different stakeholder groups. The chapter brings together common themes across these areas and proposes ways to use these ideas for future research on learning.
High coexpression of CCL2 and CX3CL1 is gender‐specifically associated with good prognosis in soft tissue sarcoma patients
Authors: Kehlen Astrid , Greither Thomas , Wach Sven , Nolte Elke , Kappler Matthias , Bache Matthias , Holzhausen Hans‐Jürgen , Lautenschläger Christine , Göbel Steffen , Würl Peter , Immel Uta‐Dorothee , Agaimy Abbas , Wullich Bernd , Taubert Helge
Published: March 2014

Chemokines are involved in both the negative and positive regulation of inflammatory processes, angiogenesis and cancer/cancer stem cell proliferation as well as the chemoattraction of tumor cells to metastatic sites. The aim of this study was to measure the mRNA expression levels of three chemokines, CCL2, CCL7 and CX3CL1, in soft tissue sarcomas (STSs) and to assess the correlations between these levels as well as their correlations with clinicopathological data and the disease‐specific survival of STS patients. The mRNA levels of CCL2, CCL7 and CX3CL1 were analyzed in tumor tissues from 126 STS patients using qPCR. Low mRNA expression of CCL2 and CX3CL1 was significantly correlated with a worse prognosis (RR = 1.98; p = 0.019 and RR = 2.10; p = 0.014; multivariate Cox's regression analysis). A combined low expression of CCL2 and CX3CL1 was associated with a significantly increased risk of tumor‐related death as compared to patients with high expression levels of both chemokines (RR = 3.08; p = 0.003). A gender‐specific multivariate analysis revealed that female STS patients with low CX3CL1 mRNA expression had a 3.46‐fold increased risk of death (p = 0.004). Low expression of both CCL2 and CX3CL1 mRNAs resulted in an additive 5.37‐fold increased risk of tumor‐related death (p = 0.003) as compared to those with high expression of both parameters in female patients. In conclusion, this is the first study to show a significant correlation between combined low expression of CCL2 and CX3CL1 and a poor prognosis for STS patients, particularly in female patients.
Opposing effects of HIF1α and HIF2α on chromaffin cell phenotypic features and tumor cell proliferation: Insights from MYC‐associated factor X
Authors: Qin Nan , de Cubas Aguirre A. , Garcia‐Martin Ruben , Richter Susan , Peitzsch Mirko , Menschikowski Mario , Lenders Jacques W.M. , Timmers Henri J. L. M. , Mannelli Massimo , Opocher Giuseppe , Economopoulou Matina , Siegert Gabriele , Chavakis Triantafyllos , Pacak Karel , Robledo Mercedes , Eisenhofer Graeme
Published: March 2014

Pheochromocytomas and paragangliomas (PPGLs) are catecholamine‐producing chromaffin cell tumors with diverse phenotypic features reflecting mutations in numerous genes, including MYC‐associated factor X (MAX). To explore whether phenotypic differences among PPGLs reflect a MAX‐mediated mechanism and opposing influences of hypoxia‐inducible factor (HIF)s HIF2α and HIF1α, we combined observational investigations in PPGLs and gene‐manipulation studies in two pheochromocytoma cell lines. Among PPGLs from 140 patients, tumors due to MAX mutations were characterized by gene expression profiles and intermediate phenotypic features that distinguished these tumors from other PPGLs, all of which fell into two expression clusters: one cluster with low expression of HIF2α and mature phenotypic features and the other with high expression of HIF2α and immature phenotypic features due to mutations stabilizing HIFs. Max‐mutated tumors distributed to a distinct subcluster of the former group. In cell lines lacking Max, re‐expression of the gene resulted in maturation of phenotypic features and decreased cell cycle progression. In cell lines lacking Hif2α, overexpression of the gene led to immature phenotypic features, failure of dexamethasone to induce differentiation and increased proliferation. HIF1α had opposing actions to HIF2α in both cell lines, supporting evolving evidence of their differential actions on tumorigenic processes via a MYC/MAX‐related pathway. Requirement of a fully functional MYC/MAX complex to facilitate differentiation explains the intermediate phenotypic features in tumors due to MAX mutations. Overexpression of HIF2α in chromaffin cell tumors due to mutations affecting HIF stabilization explains their proliferative features and why the tumors fail to differentiate even when exposed locally to adrenal steroids.
U-Shaped Association Between Serum 25-Hydroxyvitamin D and Fracture Risk in Older Men: Results From the Prospective Population-Based CHAMP Study
Authors: Bleicher Kerrin , Cumming Robert G , Naganathan Vasikaran , Blyth Fiona M , Couteur David G Le , Handelsman David J , Waite Louise M , Seibel Markus J
Published: March 2014

The aim of this population-based, prospective, observational study was to examine the relationship between serum levels of 25-hydroxyvitamin D (25OHD) and fracture risk in a cohort of 1662 community-dwelling men aged 70 to 97 years followed for a mean of 4.3 years. Data about mobility, muscle strength, balance, medication use, cognition, medical history, lifestyle factors, renal function, and serum 25OHD were collected at baseline. Data on radiologically verified fractures were collected every 4 months. The relationship between fractures and serum 25OHD levels was analyzed using Cox's proportional hazard regression. We accounted for bone mineral density, falls, physical activity, sun exposure, and season of blood draw, in addition to anthropometric and lifestyle factors, medical history, muscle strength, balance, and medication and supplement use. There were 123 first-incident fragility fractures. The relationship between baseline 25OHD and fracture risk was U-shaped, with increased fracture risk in men with either low or high serum 25OHD levels. In multivariate analysis, the risk of fracture was greatest in men with 25OHD levels in the lowest quintile (25OHD ≤36 nmol/L; hazard ratio [HR] = 3.5; 95% confidence interval [CI] 1.7–7.0) and in men in the highest quintile (25OHD >72 nmol/L; HR = 2.7; 95% CI 1.4–5.4) compared with men in the 4th quintile (25OHD ≥60 to ≤72 nmol/L). These associations were not explained by lower BMD, increased physical activity, fall risk, or other lifestyle or anthropomorphic factors. In community-dwelling older men, there appears to be a healthy target range for serum 25OHD concentrations. Thus, serum 25OHD levels too high and too low may be harmful in regard to fracture risk. © 2014 American Society for Bone and Mineral Research.
Direct Crosstalk Between Cancer and Osteoblast Lineage Cells Fuels Metastatic Growth in Bone via Auto-Amplification of IL-6 and RANKL Signaling Pathways
Authors: Zheng Yu , Chow Shu-Oi , Boernert Katja , Basel Dennis , Mikuscheva Anastasia , Kim Sarah , Fong-Yee Colette , Trivedi Trupti , Buttgereit Frank , Sutherland Robert L , Dunstan Colin R , Zhou Hong , Seibel Markus J
Published: March 2014

The bone microenvironment and its modification by cancer and host cell interactions is a key driver of skeletal metastatic growth. Interleukin-6 (IL-6) stimulates receptor activator of NF-κB ligand (RANKL) expression in bone cells, and serum IL-6 levels are associated with poor clinical outcomes in cancer patients. We investigated the effects of RANKL on cancer cells and the role of tumor-derived IL-6 within the bone microenvironment. Using human breast cancer cell lines to induce tumors in the bone of immune-deficient mice, we first determined whether RANKL released by cells of the osteoblast lineage directly promotes IL-6 expression by cancer cells in vitro and in vivo. We then disrupted of IL-6 signaling in vivo either via knockdown of IL-6 in tumor cells or through treatment with specific anti-human or anti-mouse IL-6 receptor antibodies to investigate the tumor effect. Finally, we tested the effect of RANK knockdown in cancer cells on cancer growth. We demonstrate that osteoblast lineage-derived RANKL upregulates secretion of IL-6 by breast cancers in vivo and in vitro. IL-6, in turn, induces expression of RANK by cancer cells, which sensitizes the tumor to RANKL and significantly enhances cancer IL-6 release. Disruption in vivo of this auto-amplifying crosstalk by knockdown of IL-6 or RANK in cancer cells, or via treatment with anti-IL-6 receptor antibodies, significantly reduces tumor growth in bone but not in soft tissues. RANKL and IL-6 mediate direct paracrine-autocrine signaling between cells of the osteoblast lineage and cancer cells, significantly enhancing the growth of metastatic breast cancers within bone. © 2014 American Society for Bone and Mineral Research.
ALMOST: An all atom molecular simulation toolkit for protein structure determination
Authors: Fu Biao , Sahakyan Aleksandr B. , Camilloni Carlo , Tartaglia Gian Gaetano , Paci Emanuele , Caflisch Amedeo , Vendruscolo Michele , Cavalli Andrea
Published: March 2014

Almost (all atom molecular simulation toolkit) is an open source computational package for structure determination and analysis of complex molecular systems including proteins, and nucleic acids. Almost has been designed with two primary goals: to provide tools for molecular structure determination using various types of experimental measurements as conformational restraints, and to provide methods for the analysis and assessment of structural and dynamical properties of complex molecular systems. The methods incorporated in Almost include the determination of structural and dynamical features of proteins using distance restraints derived from nuclear Overhauser effect measurements, orientational restraints obtained from residual dipolar couplings and the structural restraints from chemical shifts. Here, we present the first public release of Almost, highlight the key aspects of its computational design and discuss the main features currently implemented. Almost is available for the most common Unix‐based operating systems, including Linux and Mac OS X. Almost is distributed free of charge under the GNU Public License, and is available both as a source code and as a binary executable from the project web site at http://www.open‐almost.org. Interested users can follow and contribute to the further development of Almost on http://sourceforge.net/projects/almost. © 2014 Wiley Periodicals, Inc.
Analyzing the electric response of molecular conductors using “electron deformation” orbitals and occupied‐virtual electron transfer
Authors: Mandado Marcos , Ramos‐Berdullas Nicolás
Published: March 2014

The concept of “electron deformation orbitals” (EDOs) is used to investigate the electric response of conducting metals and oligophenyl chains. These orbitals and their eigenvalues are obtained by diagonalization of the deformation density matrix (difference between the density matrices of the perturbed and unperturbed systems) and can be constructed as linear combinations of the unperturbed molecular orbitals within “frozen geometry” conditions. This form of the EDOs allows calculating the part of the electron deformation density associated to an effective electron transfer from occupied to virtual orbitals (valence to conduction band electron transfer in the band model of conductivity). It is found that the “electron deformation” orbitals pair off, displaying the same eigenvalue but opposite sign. Each pair represents an amount of accumulation/depletion of electron charge at different molecular regions. In the oligophenyl systems investigated only one pair contributes effectively to the charge flow between molecular ends, resulting from the promotion of electrons from occupied orbitals to close in energy virtual orbitals of appropriate symmetry and overlapping. Analysis of this pair along explains the differences in conductance of olygophenyl chains based on phenyl units. © 2014 Wiley Periodicals, Inc.
Monitoring Collagen Synthesis in Fibroblasts Using Fluorescently Labeled tRNA Pairs
Authors: Liu Jiaqi , Pampillo Macarena , Guo Fen , Liu Shangxi , Cooperman Barry S. , Farrell Ian , Dahary Dvir , Gan Bing S. , O'Gorman David B. , Smilansky Zeev , Babwah Andy V. , Leask Andrew
Published: March 2014

There is a critical need for techniques that directly monitor protein synthesis within cells isolated from normal and diseased tissue. Fibrotic disease, for which there is no drug treatment, is characterized by the overexpression of collagens. Here, we use a bioinformatics approach to identify a pair of glycine and proline isoacceptor tRNAs as being specific for the decoding of collagen mRNAs, leading to development of a FRET‐based approach, dicodon monitoring of protein synthesis (DiCoMPS), that directly monitors the synthesis of collagen. DiCoMPS aimed at detecting collagen synthesis will be helpful in identifying novel anti‐fibrotic compounds in cells derived from patients with fibrosis of any etiology, and, suitably adapted, should be widely applicable in monitoring the synthesis of other proteins in cells. J. Cell. Physiol. 229: 1121–1129, 2014. © 2014 Wiley Periodicals, Inc.
Strategies for coordinating experimentation and modeling in integrative systems biology
Authors: MacLeod Miles , Nersessian Nancy J.
Published: March 2014

In this paper, we provide a novel analysis of the affordances and trade‐offs of different strategies for integrating model‐building and experimentation in integrative systems biology. Unimodal strategies rely on collaboration between experimenters and modelers in distinct laboratories. In a bimodal strategy modelers perform their own experiments. Each option has advantages and challenges. In the case of the labs we studied, the choice of strategy often depends on preferences held by lab directors as to the strategy that best achieves certain philosophical objectives concerning what they see as the aims of modeling in systems biology and the epistemic standards to apply to it. We identify an important connection between philosophical divisions in systems biology and the structure of research in systems biology. Better knowledge of these strategies and their philosophical motivations provide insight behind the diversifying structure of the field, and can help lab directors understand the challenges their researchers face, as well as the training and lab organization options available. J. Exp. Zool. (Mol. Dev. Evol.) 322B: 230–239, 2014. © 2014 Wiley Periodicals, Inc.