bluuebunny/crossref_metadata_2025 huggingface dataset:
The Tris‐Urea Motif and Its Incorporation into Polydimethylsiloxane‐Based Supramolecular Materials Presenting Self‐Healing Features
Authors: Roy Nabarun , Buhler Eric , Lehn Jean‐Marie
Published: May 2013

Materials of supramolecular nature have attracted much attention owing to their interesting features, such as self‐reparability and material robustness, that are imparted by noncovalent interactions to synthetic materials. Among the various structures and synthetic methodologies that may be considered for this purpose, the introduction of extensive arrays of multiple hydrogen bonds allows for the formation of supramolecular materials that may, in principle, present self‐healing behavior. Hydrogen bonded networks implement dynamic noncovalent interactions. Suitable selection of structural units gives access to novel dynamic self‐repairing materials by incrementing the number of hydrogen‐bonding sites present within a molecular framework. Herein, we describe the formation of a tris‐urea based motif giving access to six hydrogen‐bonding sites, easily accessible through reaction of carbohydrazide with an isocyanate derivative. Extension towards the synthesis of multiply hydrogen‐bonded supramolecular materials has been achieved by polycondensation of carbohydrazide with a bis‐isocyanate component derived from poly‐dimethylsiloxane chains. Such materials underwent self‐repair at a mechanically cut surface. This approach gives access to a broad spectrum of materials of varying flexibility by appropriate selection of the bis‐isocyanate component that forms the polymer backbone.
The Photophysics of Pyridine‐Derivatized ortho‐, meta‐, and para‐Dibutylamino Cruciforms
Authors: Hinderer Florian , Bunz Uwe H. F.
Published: May 2013

The photophysical properties of a series of para‐substituted donor–acceptor cruciform fluorophores (p1–4) were investigated and compared with their meta and ortho isomers (m1–4 and o1–4). The structural variations were found to have a significant effect on the solvatochromism, fluorescence quantum yields (Φfl), fluorescence lifetimes (τfl), and response upon addition of trifluoroacetic acid. The observed spectral shifts in absorption and emission caused by protonation of the cruciforms make them promising candidates as chemosensors. Additional computational studies provided more insight into the electronic structure of the systems.
The Chemistry of 5‐(Tetrazol‐1‐yl)‐2H‐tetrazole: An Extensive Study of Structural and Energetic Properties
Authors: Fischer Niko , Izsák Dániel , Klapötke Thomas M. , Stierstorfer Jörg
Published: May 2013

5‐(Tetrazol‐1‐yl)‐2H‐tetrazole (1), or 1,5′‐bistetrazole, was synthesized by the cyclization of 5‐amino‐1H‐tetrazole, sodium azide and triethyl orthoformate in glacial acetic acid. A derivative of 1, 2‐methyl‐5‐(tetrazol‐1‐yl)tetrazole (2) can be obtained by this method starting from 5‐amino‐2‐methyl‐tetrazole. Furthermore, selected salts of 1 with nitrogen‐rich and metal (alkali and transition metal) cations, including hydroxylammonium (4), triaminoguanidinium (5), copper(I) (8) and silver (9), as well as copper(II) complexes of both 1 and 2 were prepared. An intensive characterization of the compounds is given, including vibrational (IR, Raman) and multinuclear NMR spectroscopy, mass spectrometry, DSC and single‐crystal X‐ray diffraction. Their sensitivities towards physical stimuli (impact, friction, electrostatic) were determined according to Bundesamt für Materialforschung (BAM) standard methods. Energetic performance (detonation velocity, pressure, etc.) parameters were calculated with the EXPLO5 program, based on predicted heats of formation derived from enthalpies computed at the CBS‐4M level of theory and utilizing the atomization energy method. From the analytical and calculated data, their potential as energetic materials in different applications was evaluated and discussed.
ChemInform Abstract: Density Functional Theory Calculations of UO2 Oxidation: Evolution of UO2‐x, U4O9‐y, U3O7, and U3O8.
Authors: Andersson D. A. , Baldinozzi G. , Desgranges L. , Conradson D. R. , Conradson S. D.
Published: May 2013

DFT calculations of UO2 oxidation indicate stable compounds U4O8.889, U3O7, and U3O7.333, which are based on ordering of split quad‐interstitial clusters.
ChemInform Abstract: Electronic Structure of One‐Dimensional Bismuth Oxide, BiCu2VO6.
Authors: Cho Sungwoo , Lee In‐Ja , Jung Dongwoon
Published: May 2013

The electronic band structure, density of states, and crystal orbital overlap populations of the title compound are computed using the extended Hueckel tight‐binding method.
ChemInform Abstract: Superstructure of Mullite‐Type KAl9O14.
Authors: Lazic Biljana , Krueger Hannes , Kaindl Reinhard , Perfler Lukas , Kremenovic Aleksandar , Cvetkovic Vladica , Withers Ray L.
Published: May 2013

Long colorless needles of KAl9O14 are obtained from powdered K3AlF6 (air, Pt crucible, 1273 K, 1 h).
ChemInform Abstract: Single Crystal Growth and Structural Characterization of Four Complex Uranium Oxides: CaUO4, β‐Ca3UO6, K4CaU3O12, and K4SrU3O12.
Authors: Read Cory M. , Bugaris Daniel E. , zur Loye Hans‐Conrad
Published: May 2013

Single crystals of CaUO4 (I), β‐Ca3UO6 (II), K4CaU3O12 (III), and K4SrU3O12 (IV) are grown from UO2 or U3O8 in a K2CO3 flux in the presence or absence of CaCO3 or SrCO3 (alumina crucible, 900—1050 °C, 24—48 h).
ChemInform Abstract: Synthesis and Magnetic Properties of a New Borophosphate SrCo2BPO7 with a Four‐Column Ribbon Structure.
Authors: Gou Wenbin , He Zhangzhen , Yang Ming , Zhang Weilong , Cheng Wendan
Published: May 2013

The title compound is synthesized by solid state reaction of SrCl2, CoC2O4, H3BO3, and (NH4)H2PO4 (alumina crucible, 1050 °C, 3 d).
ChemInform Abstract: Flux Growth and Magnetoresistance Behavior of Rare Earth Zintl Phase EuMgSn.
Authors: Ma Xiaowei , Lu Jun , Whalen Jeffrey B. , Latturner Susan E.
Published: May 2013

Highest yields of crystalline EuMgSn are prepared by melting of Mg, Al, Sn, and Eu in a molar ratio of 15:15:2:1 (Nb crucible in sealed silica tubes, 1.
ChemInform Abstract: Synthesis of New Functionalized Chiral Ionic Liquid and Its Organocatalytic Asymmetric Michael Addition.
Authors: Li Jian , Liu Li
Published: May 2013

The Michael addition of cyclohexanone to nitroolefins (II) in the presence of chiral ionic liquid (CIL) affords synthetically valuable chiral products in good yields (up to 93%) and high enantioselectivity (up to 92%).
ChemInform Abstract: A Convenient Procedure for N‐Formylation of Amines.
Authors: Joseph Sony , Das Prasenjit , Srivastava Bindu , Nizar Hashim , Prasad Mohan
Published: May 2013

Inexpensive formamide and sodium methoxide are employed for the N‐formylation of amines and amino acids.
ChemInform Abstract: γ‐ and δ‐Hydroxynitriles: Diastereoselective Electrophile‐Dependent Alkylations.
Authors: Mycka Robert J. , Eckenhoff William T. , Steward Omar W. , Barefoot Nathan Z. , Fleming Fraser F.
Published: May 2013

This is a detailed account on preliminary published studies.
ChemInform Abstract: Heck Alkynylation (Copper‐Free Sonogashira Coupling) of Aryl and Heteroaryl Chlorides, Using Pd Complexes of t‐Bu2(p‐NMe2C6H4)P: Understanding the Structure—Activity Relationships and Copper Effects.
Authors: Pu Xiaotao , Li Hongbo , Colacot Thomas J.
Published: May 2013

Two Pd‐complexes, namely PCD and PTA, are used as efficient catalysts for the Heck alkynylation of a variety of aryl bromides and (het)aryl chlorides with a range of aryl‐ and alkyl‐acetylenes giving products in excellent yields.
ChemInform Abstract: N‐Alkylation of Tosylhydrazones via a Metal‐Free Reductive Coupling Procedure.
Authors: Liu Jin‐Biao , Yan Hui , Lu Gui
Published: May 2013

The NaOMe‐promoted reductive coupling of tosylhydrazones affords the desired N‐alkylated products.
ChemInform Abstract: Highly Asymmetric Henry Reaction Catalyzed by Chiral Copper(II) Complexes.
Authors: Ni Bukuo , He Junpeng
Published: May 2013

Two chiral proline silyl ether derivatives are prepared and successfully applied as ligands for the enantioselective Henry reaction between aldehydes and nitroalkanes.
ChemInform Abstract: An Efficient Synthesis of Poly‐Substituted Benzene and Tricyclo[3.2.1.02,7]oct‐3‐ene Derivatives Starting from Morita—Baylis—Hillman Adducts.
Authors: Lim Cheol Hee , Kim Sung Hwan , Park Ka Hyun , Lee Junseong , Kim Jae Nyoung
Published: May 2013

Diels—Alder reactions of dienes (I) with diester (II) or N‐phenylmaleimide and subsequent aerobic oxidation afford polysubstituted benzenes.
ChemInform Abstract: Flavin‐Catalyzed Aerobic Oxidation of Sulfides in Aqueous Media.
Authors: Imada Yasushi , Kitagawa Takahiro , Wang Han‐Kun , Komiya Naruyoshi , Naota Takeshi
Published: May 2013

The selective and environmentally benign transformation of sulfides to sulfoxides is achieved in the presence of ascorbic acid as a reductant for the catalytic system.
ChemInform Abstract: An Efficient C—C Bond Formation Reaction for the Synthesis of α‐Arylated Ketones under Mild Conditions.
Authors: Liu Yanli , Zhang Xinhai , Ma Ying , Ma Chen
Published: May 2013

o‐Hydroxyaryl methyl ketones are treated with a variety of activated aromatic and heteroaromatic halides to yield a range of target compounds.
ChemInform Abstract: Highly Enantioselective Hydrosilylation of N‐(1,2‐Diarylethylidene)arylamines.
Authors: Zheng Yongsheng , Xue Zhouyang , Liu Lixin , Shu Chang , Yuan Weicheng , Zhang Xiaomei
Published: May 2013

An efficient enantioselective hydrosilylation reaction for the synthesis of various substituted arylamines using a chiral Lewis base is shown.
ChemInform Abstract: Expeditious Synthesis of Fluorinated Styrylbenzenes and Polyaromatic Hydrocarbons.
Authors: Bedekar Ashutosh V. , Chaudhary Anju R. , Sundar M. Shyam , Rajappa Murali
Published: May 2013

Fluorinated styrylbenzenes are synthesized via Mizoroki—Heck reaction of aryl bromides (I) with styrene under phosphine‐free catalytic conditions.
ChemInform Abstract: Synthesis of Indeno[1,2‐c]furans via a Pd‐Catalyzed Bicyclization of 2‐Alkynyliodobenzene and Propargylic Alcohol.
Authors: Jin Jisong , Luo Yan , Zhou Chao , Chen Xiaopeng , Wen Qiaodong , Lu Ping , Wang Yanguang
Published: May 2013

The reaction is proposed to proceed via oxidative insertion of palladium into the aryl—halogen bond followed by complexation to the propargylic alcohol, two subsequent syn‐palladations, and a final reductive elimination, generating one C—O and two C—C bonds in a single synthetic step.
ChemInform Abstract: Facile Synthesis of α‐Methylidene‐γ‐butyrolactones: Intramolecular Rauhut—Currier Reaction Promoted by Chiral Acid—Base Organocatalysts.
Authors: Takizawa Shinobu , Nguyen Tue Minh‐Nhat , Grossmann Andre , Suzuki Michitaka , Enders Dieter , Sasai Hiroaki
Published: May 2013

Highly functionalized α‐methylidene‐γ‐butyrolactones are formed enantioselectively from prochiral dienone enolates in the presence of chiral organocatalysts (CHOC).
ChemInform Abstract: Using Heteroaryl‐Lithium Reagents as Hydroxycarbonyl Anion Equivalents in Conjugate Addition Reactions with (S,S)‐(+)‐Pseudoephedrine as Chiral Auxiliary; Enantioselective Synthesis of 3‐Substituted Pyrrolidines.
Authors: Alonso Beatriz , Ocejo Marta , Carrillo Luisa , Vicario Jose L. , Reyes Efraim , Uria Uxue
Published: May 2013

A new efficient protocol for the stereocontrolled formation of various 3‐substituted pyrrolidines is presented.
ChemInform Abstract: Stereoselective Access to Heteroarylmethylene‐Substituted Pyrrolidines: Fully Organocatalytic Mannich—Hydroamination Reactions.
Authors: Jean Alexandre , Blanchet Jerome , Rouden Jacques , Maddaluno Jacques , De Paolis Michael
Published: May 2013

A one‐pot sequence of organocatalytic transformations delivers heteroarylmethylene‐substituted pyrrolidines (IV) with high stereo‐ and enantioselectivity.
ChemInform Abstract: Formation of Enehydrazine Intermediates Through Coupling of Phenylhydrazines with Vinyl Halides: Entry into the Fischer Indole Synthesis.
Authors: Zhan Fuxu , Liang Guangxin
Published: May 2013

This method proceeds with high regioselectivity and gives access to substituted indole derivatives and therefore to the scaffolds of many natural products.
ChemInform Abstract: Palladium‐Catalyzed Coupling of ortho‐Alkynylanilines with Terminal Alkynes under Aerobic Conditions: Efficient Synthesis of 2,3‐Disubstituted 3‐Alkynylindoles.
Authors: Yao Bo , Wang Qian , Zhu Jieping
Published: May 2013

Key features of the method are the broad substrate scope, a good functional group tolerance, and the use of terminal alkynes instead of organic halides.
ChemInform Abstract: Chiral Phosphine Catalyzed Asymmetric Michael Addition of Oxindoles.
Authors: Zhong Fangrui , Dou Xiaowei , Han Xiaoyu , Yao Weijun , Zhu Qiang , Meng Yuezhong , Lu Yixin
Published: May 2013

This is the first highly enantioselective Michael addition of oxindoles catalyzed by chiral phosphines.
ChemInform Abstract: Gold‐Catalyzed Domino Cycloisomerization/Pictet—Spengler Reaction of 2‐(4‐Aminobut‐1‐yn‐1‐yl)anilines with Aldehydes: Synthesis of Tetrahydropyrido[4,3‐b]indole Scaffolds.
Authors: Reddy B. V. Subba , Swain Manisha , Reddy S. Madhusudana , Yadav J. S. , Sridhar B.
Published: May 2013

The first synthesis of the title compounds via a tandem 5‐endo‐dig cyclization/Pictet—Spengler strategy is presented.
ChemInform Abstract: An Asymmetric Approach Toward Chiral Multicyclic Spirooxindoles from Isothiocyanato Oxindoles and Unsaturated Pyrazolones by a Chiral Tertiary Amine Thiourea Catalyst.
Authors: Chen Qiao , Liang Jinyan , Wang Shoulei , Wang Dong , Wang Rui
Published: May 2013

The first organocatalytic Michael‐cyclization cascade reaction between oxindoles (I) and pyrazolones (II) is described.
ChemInform Abstract: Intramolecular Cyclization of N‐Propargylic β‐Enaminones Catalyzed by Silver.
Authors: Martins Marcos A. P. , Rossatto Marcelo , Frizzo Clarissa P. , Scapin Elisandra , Buriol Lilian , Zanatta Nilo , Bonacorso Helio G.
Published: May 2013

A highly regioselective and inexpensive method is developed for the synthesis of 1,2‐dihydropyridines.
ChemInform Abstract: Direct Exchange of a Ketone Methyl or Aryl Group to Another Aryl Group Through C—C Bond Activation Assisted by Rhodium Chelation.
Authors: Wang Jingjing , Chen Weiqiang , Zuo Sujing , Liu Lu , Zhang Xinrui , Wang Jianhui
Published: May 2013

The method is applied to a broad spectrum of quinolines and quinoxaline (VI) to offer a novel approach for ketone synthesis.
ChemInform Abstract: Intramolecular Aminolysis of 2′‐Aminochalcone Epoxides Using InBr3 or BiCl3 as Efficient Catalysts.
Authors: Ahmed Naseem , Kumar Harendra , Babu B. Venkata
Published: May 2013

InBr3 as well as InCl3 prove to be mild and efficient catalysts for the regioselective ring opening and intramolecular aminolysis of 2′‐aminochalcone epoxides (I) furnishing azaflavanone derivatives (II) in excellent yields and diastereoselectivity.
ChemInform Abstract: A Short and Straightforward Approach Towards 6‐Amino and 6‐Aminoalkyl Thiazolo[4,5‐c]pyridazines.
Authors: Stella Alessandro , De Jonghe Steven , Segers Kenneth , Herdewijn Piet
Published: May 2013

The synthesis of the title heterocycles is based on the cyclization reaction between pyridazine derivatives (I) and isothiocyanates or KSCN.
ChemInform Abstract: Highly Selective 1,4‐ and 1,6‐Addition of P(O)—H Compounds to p‐Quinones: A Divergent Method for the Synthesis of C‐ and O‐Phosphoryl Hydroquinone Derivatives.
Authors: Xiong Biquan , Shen Ruwei , Goto Midori , Yin Shuang‐Feng , Han Li‐Biao
Published: May 2013

C‐ and O‐phosphoryl hydroquinone derivatives are prepared selectively by employing different additives.
ChemInform Abstract: Oxygen Storage Capability of Brownmillerite‐Type Ca2AlMnO5+δ and Its Application to Oxygen Enrichment.
Authors: Motohashi Teruki , Hirano Yuka , Masubuchi Yuji , Oshima Kazunori , Setoyama Tohru , Kikkawa Shinichi
Published: May 2013

Ca2AlMnO5+δ with a brownmillerite‐type structure can topotactically store/release a large amount of excess oxygen (about 3.0 wt.%) depending on temperature and the surrounding atmosphere in a highly reversible manner.
ChemInform Abstract: Metal Dichalcogenide Nanosheets: Preparation, Properties and Applications
Authors: Huang Xiao , Zeng Zhiyuan , Zhang Hua
Published: May 2013

Review: exemplified by MoS2; 70 refs.
ChemInform Abstract: Tetrametallic Molecular Catalysts for Photochemical Water Oxidation
Authors: Sartorel Andrea , Bonchio Marcella , Campagna Sebastiano , Scandola Franco
Published: May 2013

Review: 88 refs.
ChemInform Abstract: Iron‐Catalyzed Enantioselective Reactions Through the Use of Chiral Bipyridine‐Containing Ligands
Authors: Plancq Baptiste , Ollevier Thierry
Published: May 2013

Review: 20 refs.
ChemInform Abstract: Sulfonium Ions as Reactive Glycosylation Intermediates
Authors: Nokami Toshiki
Published: May 2013

Review: 35 refs.
ChemInform Abstract: Alkyl Esters of Gallic Acid as Anticancer Agents: A Review
Authors: Locatelli Claudriana , Filippin‐Monteiro Fabiola Branco , Creczynski‐Pasa Tania Beatriz
Published: May 2013

Review: 61 refs.
ChemInform Abstract: Dye‐Containing Polymers: Methods for Preparation of Mechanochromic Materials
Authors: Ciardelli Francesco , Ruggeri Giacomo , Pucci Andrea
Published: May 2013

Review: 57 refs.
A Clinician's Guide to the ABCs of Cardiovascular Disease Prevention: The Johns Hopkins Ciccarone Center for the Prevention of Heart Disease and American College of Cardiology Cardiosource Approach to the Million Hearts Initiative
Authors: Hsu Steven , Ton Van‐Khue , Dominique Ashen M. , Martin Seth S. , Gluckman Ty J. , Kohli Payal , Sisson Stephen D. , Blumenthal Roger S. , Blaha Michael J.
Published: May 2013

Atherosclerotic cardiovascular disease (CVD) is the leading cause of death in the United States and worldwide. Fortunately, it is often preventable with early adoption of lifestyle modification, prevention of risk factor onset, and aggressive treatment of existing risk factors. The Million Hearts Initiative is an effort by the Centers for Disease Control that aims to prevent 1 million myocardial infarctions and strokes over the next 5 years. As part of this initiative, we present a simply organized “ABCDE” approach for guiding a consistent comprehensive approach to managing cardiovascular risk in daily clinical practice. ABCDE stands for assessment of risk, antiplatelet therapy, blood pressure management, cholesterol management, cigarette/tobacco cessation, diet and weight management, diabetes prevention and treatment, and exercise, interventions regularly used to reduce cardiovascular (CV) risk. Throughout this article we summarize recommendations related to each topic and reference landmark trials and data that support our approach. We believe that the ABCDE approach will be the core framework for addressing CV risk in our effort to prevent CVD.
Non‐radioactive Protein Lysine Methyltransferase Microplate Assay Based on Reading Domains
Authors: Kudithipudi Srikanth , Kusevic Denis , Jeltsch Albert
Published: May 2013

New protein lysine methyltransferase (PKMT) assays are needed to facilitate screening for improved PKMT inhibitors, because PKMTs are mutated or overexpressed in several cancers. In cells, methylated lysine residues are recognized by reading domains such as the chromodomain of HP1β, which bind to target proteins in a lysine‐methylation‐specific manner. Herein we describe a sensitive, robust, and non‐radioactive high‐throughput PKMT assay that employs the HP1β chromodomain to detect the methylation of peptide substrates by the human SUV39H1 and SUV39H2 PKMTs. The assay has a very good dynamic range and high signal‐to‐noise ratio. It can be used to screen for PKMT inhibitors, as illustrated by analyzing the inhibition of SUV39H1 by chaetocin. The IC50 value of this inhibition was found to be 480 nM, which is close to its published value. Our data indicate that natural reading domains can be used as alternates to methyl‐specific antibodies in PKMT assays. Reading domains can be produced recombinantly in E. coli at low cost and consistent quality, and they are accessible to protein design.
Agent Orange as a risk factor for high‐grade prostate cancer
Authors: Ansbaugh Nathan , Shannon Jackilen , Mori Motomi , Farris Paige E. , Garzotto Mark
Published: May 2013

BACKGROUND

Agent Orange (AO) exposure (AOe) is a potential risk factor for the development of prostate cancer (PCa). However, it is unknown whether AOe specifically increases the risk of lethal PCa. The objective of this study was to determine the association between AOe and the risk of detecting high‐grade PCa (HGPCa) (Gleason score ≥7) on biopsy in a US Veteran cohort.

METHODS

Risk factors included clinicodemographic and laboratory data from veterans who were referred for an initial prostate biopsy. Outcomes were defined as the presence versus the absence of PCa, HGPCa, or low‐grade PCa (LGPCa) (Gleason score ≤6) in biopsy specimens. Risk among AOe veterans relative to unexposed veterans was estimated using multivariate logistic regression. Separate models were used to determine whether AOe was associated with an increased risk of PCa, HGPCa, or LGPCa.

RESULTS

Of 2720 veterans who underwent biopsy, PCa was diagnosed in 896 veterans (32.9%), and 459 veterans (16.9%) had HGPCa. AOe was associated with a 52% increase in the overall risk of detecting PCa (adjusted odds ratio, 1.52; 95% confidence interval, 1.07‐2.13). AOe did not confer an increase in the risk of LGPCa (adjusted odds ratio, 1.24; 95% confidence interval, 0.81‐1.91), although a 75% increase in the risk of HGPCa was observed (adjusted odds ratio, 1.75; 95% confidence interval, 1.12‐2.74). AOe was associated with a 2.1‐fold increase (95% confidence interval, 1.22‐3.62; P < .01) in the risk of detecting PCa with a Gleason score ≥8.

CONCLUSIONS

The current results indicated that an increased risk of PCa associated with AOe is driven by an increased risk of HGPCa in men who undergo an initial prostate biopsy. These findings may aid in improved PCa screening for Vietnam‐era veterans. Cancer 2013;119:2399‐2404. © 2013 American Cancer Society.
Overall survival advantage with partial nephrectomy: A bias of observational data?
Authors: Shuch Brian , Hanley Janet , Lai Julie , Vourganti Srinivas , Kim Simon P. , Setodji Claude M. , Dick Andrew W. , Chow Wong‐Ho , Saigal Chris ,   the Urologic Diseases in America Project
Published: May 2013

BACKGROUND

Partial nephrectomy (PN) and radical nephrectomy (RN) are standard treatments for a small renal mass. Retrospective studies suggest an overall survival (OS) advantage, however a randomized phase 3 trial suggests otherwise. The effects of both surgical modalities on OS were evaluated compared with controls.

METHODS

A matched cohort study was performed using the Surveillance, Epidemiology, and End Results (SEER)‐Medicare dataset. Individuals treated with PN or RN for localized renal cell carcinoma (RCC) measuring ≤4 cm were compared with 2 control groups (non–muscle‐invasive bladder cancer (BCC) and noncancer controls (NCC). Using a greedy algorithm, RCC groups were matched with controls by demographics and comorbidities. OS for surgical groups and controls were compared. The cause of death was evaluated for cancer groups when differences in OS were noted.

RESULTS

Patients undergoing PN and RN were matched with controls. All cancer groups had >95% 10‐year cancer‐specific survival (CSS). Median OS was similar between RN (9.05 years) and BCC (8.67 years; P = .067) and NCC (8.77 years; P = .49). Median OS was improved for PN (10.45 years) compared with BCC (8.75 years; P<.001) and NCC controls (8.76 years; P<.001). A multivariate Cox hazards model demonstrated that PN improved OS compared with NCC (hazard ratio, 1.257; P<.001) and BCC (hazard ratio, 1.364; P<.001).

CONCLUSIONS

RN patients had similar OS compared with controls, suggesting that this treatment modality does not compromise survival. Patients undergoing PN had improved OS compared with controls, suggesting possible selection bias. The apparent survival advantage conferred by PN in SEER‐Medicare case series is likely the result of selection bias involving unmeasured confounders. Cancer 2013;119:2981—2989. © 2013 American Cancer Society.
A Multiple‐Dose, Randomized, Double‐Blind, Placebo‐Controlled, Parallel‐Group QT/QTc Study to Evaluate the Electrophysiologic Effects of THC/CBD Spray
Authors: Sellers Edward M. , Schoedel Kerri , Bartlett Cindy , Romach Myroslava , Russo Ethan B. , Stott Colin G. , Wright Stephen , White Linda , Duncombe Paul , Chen Chien‐Feng
Published: May 2013

Delta‐9‐tetrahydrocannabinol (THC)/cannabidiol (CBD) oromucosal spray has proved efficacious in the treatment of spasticity in multiple sclerosis and chronic pain. A thorough QT/QTc study was performed to investigate the effects of THC/CBD spray on electrocardiogram (ECG) parameters in compliance with regulatory requirements, evaluating the effect of a recommended daily dose (8 sprays/day) and supratherapeutic doses (24 or 36 sprays/day) of THC/CBD spray on the QT/QTc interval in 258 healthy volunteers. The safety, tolerability, and pharmacokinetic profile of THC/CBD spray were also evaluated. Therapeutic and supratherapeutic doses of THC/CBD spray had no effect on cardiac repolarization with primary and secondary endpoints of QTcI and QTcF/QTcB, respectively, showing similar results. There was no indication of any effect on heart rate, atrioventricular conduction, or cardiac depolarization and no new clinically relevant morphological changes were observed. Overall, 19 subjects (25.0%) in the supratherapeutic (24/36 daily sprays of THC/CBD spray) dose group and one (1.6%) in the moxifloxacin group withdrew early due to intolerable AEs. Four psychiatric serious adverse events (AEs) in the highest dose group resulted in a reduction in the surpatherapeutic dose to 24 sprays/day. In conclusion, THC/CBD spray does not significantly affect ECG parameters. Additionally, THC/CBD spray is well tolerated at therapeutic doses with an AE profile similar to previous clinical studies.
CPU–GPU hybrid parallel strategy for cosmological simulations
Authors: Wang Yueqing , Dou Yong , Guo Song , Lei Yuanwu , Zou Dan
Published: May 2013

Gadget is a simulation application for N‐body and smoothed particle hydrodynamics problems in cosmology, and it is widely applied in solving series of cosmological problems. N‐body focuses on the motion of the interaction of N particles, and smoothed particle hydrodynamics is a fluid simulation algorithm that studies the movement of fluid through particle simulation. Most scholars focus their attention on accelerating Gadget on multi‐core CPU or graphics processing units (GPUs) platforms. However, these research activities failed to achieve CPU–GPU hybrid computing, which resulted in tremendous waste of CPU computing resources.

In this paper, we propose a CPU–GPU hybrid parallel strategy to accelerate Gadget‐2, a massively parallel structure formation code for cosmological simulations. This strategy uses CPU and GPU to process the calculation of short‐range force. To ensure CPU and GPU workload balance, a dynamic task allocation scheme is proposed according to the computational performance difference between the CPU and GPU.

Experimental results showed that our CPU–GPU hybrid parallel strategy achieved an overall speedup factor of 18.6 and a partial speedup factor for short‐range force calculation of 28.35 compared with a single‐core CPU implementation for particles in million‐size magnitudes. Moreover, compared with a GPU platform that contained 12 CPU cores and one GPU, our hybrid parallel strategy obtained overall speedup and partial speedup factors of 6% and 20%, respectively. Furthermore, the scalability of the hybrid strategy is very fine – its performance will be enhanced when the problem scale is increasing. However, this strategy also has its limitation that the performance enhancement will be decreasing if the ratio(the number of CPU cores divides that of the GPU cards) reduces. Finally, in our hybrid strategy, the CPU coefficient of utilization improved by 17.14% or better. Copyright © 2013 John Wiley & Sons, Ltd.
Kinetic and Thermodynamic Hysteresis Imposed by Intercalation of Proflavine in Ferrocene‐Modified Double‐Stranded DNA
Authors: Gebala Magdalena , La Mantia Fabio , Schuhmann Wolfgang
Published: May 2013

Surface‐confined immobilized redox species often do not show the expected zero peak separation in slow‐scan cyclic voltammograms. This phenomenon is frequently associated to experimental drawbacks and hence neglected. However, a nonzero peak separation, which is common to many electrochemical systems with high structural flexibility, can be rationally assigned to a thermodynamic hysteresis. To study this phenomenon, a surface‐confined redox species was used. Specifically, a DNA strand which is tagged with ferrocene (Fc) moieties at its 5′ end and its complementary capture probe is thiolated at the 3′ end was self‐assembled in a monolayer at a Au electrode with the Fc moieties being located at the bottom plane of the double‐stranded DNA (dsDNA). The DNA‐bound Fc undergoes rapid electron transfer with the electrode surface as evaluated by fast scan cyclic voltammetry. The electron transfer is sensitive to the ion transport along the DNA strands, a phenomenon which is modulated upon specific intercalation of proflavine into surface‐bound dsDNA. The electron transfer rate of the Fc0/+ redox process is influenced by the cationic permselectivity of the DNA monolayer. In addition to the kinetic hindrance, a thermodynamic effect correlated with changes in the activity coefficients of the Fc0/+ moieties near the gold‐dsDNA interface is observed and discussed as source of the observed hysteresis causing the non‐zero peak separation in the voltammograms.
Design and implementation of a high‐efficiency bidirectional DC‐DC Converter for DC micro‐grid system applications
Authors: Chiu Huang‐Jen , Lo Yu‐Kang , Kuo Shu‐Wei , Cheng Shih‐Jen , Lin Feng‐Tsuen
Published: May 2013

This paper studies the design and implementation of a non‐isolated dual‐half‐bridge bidirectional DC‐DC converter for DC micro‐grid system applications. High efficiency can be achieved under wide‐range load variations by the zero‐voltage‐switching features and an adaptive phase‐shift control method. A three‐stage charging scheme is designed to meet the fast‐charging demand and prolong the lifetime of LiFePO4 batteries. A digital‐signal‐processing control IC is used to realize the power flow control, DC‐bus voltage regulation, and battery charging/ discharging of the studied bidirectional DC‐DC converter. Finally, a 10 kW prototype converter with Enhanced Controller Area Network communication function is built and tested for micro‐grid system applications. A light‐load efficiency over 96% and a rated‐load efficiency over 98% can be achieved. Copyright © 2013 John Wiley & Sons, Ltd.
Ion Beam Driven High Energy Density Physics Studies at FAIR at Darmstadt: The HEDgeHOB Collaboration
Authors: Tahir N. A. , Shutov A. , Zharkov A. P. , Spiller P. , Piriz A. R. , Rodriguez Prietoc G. , Deutsch C. , Stöhlker Th.
Published: May 2013

High Energy Density (HED) physics spans over numerous areas of basic and applied physics, for example, astrophysics, planetary physics, geophysics, inertial fusion and many others. Due to this reason, it has been a subject of very active research over the past many decades. Static as well as dynamic methods have been applied to generate samples of HED matter in the laboratory. The most commonly used tool in the static techniques is the diamond anvil cell while the dynamic methods involve shock compression of matter. During the past fifteen years, great progress has been made on the development of bunched intense particle beams that have emerged as an additional new tool for studying HED physics. In this paper we present two experiment designs that have been worked out for HED physics studies at the Facility for Antiprotons and Ion Research (FAIR) at Darmstadt. This facility has entered into construction phase and will provide one of the largest and most powerful particle accelerators in the world. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Study of the Dust‐Free Region Near an Electric Probe and the Dust Particles Oscillations in Dusty Plasma
Authors: Dzhumagulova K. N. , Ramazanov T. S. , Ussenov Y. A. , Dosbolayev M. K. , Masheeva R. U.
Published: May 2013

In this paper we consider the behavior of the dust particles around the electric probe with a negative potential. The size of the dust‐free region, which depends on the probe potential, was experimentally determined. Theoretical calculation of the size of the dust‐free region based on the energy balance was performed. Comparison of theoretical estimations with experimental results was made.

Also in this work the results of the theoretical investigation of the oscillations of the dust particles based on the Fourier analysis of the velocity autocorrelation functions are presented. It is shown that real and imaginary parts of the spectral function have maximum near the plasma frequency of the dust particles at large values of coupling parameter and small values of friction coefficient. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Temperature‐Dependent Quantum Pair Potentials and Ionization in Helium‐Like Plasmas
Authors: Rahal H. , Deutsch C. , Gombert M. M.
Published: May 2013

Diffraction corrected effective and Coulomb electron‐ion interactions are worked out for helium‐like ions in plasmas of warm dense matter concern, through explicit wave functions derived within a suitable quantum defect frame work. Very significant departures from the corresponding and usual hydrogen‐like expressions are reported. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
High‐sequence diversity and structural conservation in the human T‐cell receptor β junctional region during thymic development
Authors: Tuulasvaara Anni , Baussand Julie , Laine Pia , Paulin Lars , Salminen Jukka , Auvinen Petri , Gorochov Guy , Arstila T. Petteri
Published: May 2013

The T‐cell repertoire depends on intrathymic genetic rearrangement events in the T‐cell receptor (TCR) locus, followed by positive and negative selection. The repertoire thus generated is highly diverse, but recent data indicate that the recombination of gene segments is less stochastic than previously suggested. Very little is known of the junctional complementarity determining region 3 (CDR3), which is to a large degree not germline encoded. We have analyzed the development of the human TCR β CDR3 repertoire, from the nonselected CD4+CD8+CD3− cells up to the fully selected CD4+CD8− thymocytes. In addition to spectratyping, a fraction of the CDR3 repertoire was sequenced and a structural in silico analysis of the CDR3 loop characteristics performed. Our data show that the thymic TCR repertoire is extremely diverse, and the effect of the selection events can be detected as a measurable loss of polyclonality in the CDR3 loop. However, the main physicochemical features of the CDR3 loop were found already at the nonselected repertoire and showed no progressive changes during the selection. Thus, the main structural characteristics of the CDR3 loop were already determined by the recombination process and not significantly affected by the extensive thymocyte death associated with selection in the thymus.
Synthesis and Characterization of Half‐Sandwich Ruthenium Complexes Containing Aromatic Sulfonamides Bearing Pyr­id­inyl Rings: Catalysts for Transfer Hydrogenation of Acetophenone Derivatives
Authors: Dayan Serkan , Ozpozan Kalaycioglu Nilgun , Daran Jean‐Claude , Labande Agnès , Poli Rinaldo
Published: May 2013

N‐(Quinoline‐8‐yl‐aryl)benzenesulfonamides 1–6 were successfully synthesized by the reaction of 8‐aminoquinoline and various benzenesulfonyl chlorides. Then, half‐sandwich ruthenium complexes 7–12 were prepared from the reactions of 1–6 with [RuCl2(p‐cymene)]2. The synthesized compounds were characterized by NMR and FTIR spectroscopy and elemental analysis, and compounds 8 and 9 were further analyzed by X‐ray diffraction. The complexes were screened for their efficiency as catalysts in the transfer hydrogenation of acetophenone derivatives to phenylethanols in the presence of KOH with 2‐propanol (as hydrogen source) at 82 °C, and they all showed good activity. Complexes 10 and 12 were the most active (turnover frequency values: 703 and 734 h–1, respectively).
Donor–Acceptor Complexes of Normal and Abnormal N‐Heterocyclic Carbenes with Group 13 (B, Al, Ga) Elements: A Combined DFT and Atoms‐in‐Molecules Study
Authors: Sarmah Satyajit , Guha Ankur Kanti , Phukan Ashwini K.
Published: May 2013

Donor–acceptor interactions play a dominant role in descriptions of various chemical systems. The interactions of main‐group Lewis bases with main‐group Lewis acids has attracted interest for many years. In this article, donor–acceptor interactions in NHC–EX3 (NHC = normal and abnormal N‐heterocyclic carbene; E = B, Al, Ga; X = H, F, Cl, OH, NH2, CH3, CF3) adducts have been investigated within the realms of DFT and atoms‐in‐molecules (AIM) theory. Substituents attached to the E atom have a profound effect on the strength and dissociation energies of the NHC–E bond. AIM analysis suggests that these donor–acceptor bonds have significant covalent character, which follows the order Al < Ga < B.
Application of the 2‐Nitrobenzyl Group in Glycosylation Reactions: A Valuable Example of an Arming Participating Group
Authors: Buda Szymon , Gołębiowska Patrycja , Mlynarski Jacek
Published: May 2013

The application of the o‐nitrobenzyl (oNBn) group is demonstrated. This practical methodology allows the stereocontrolled synthesis of glucosides with a 1,2‐trans linkage. This new ether‐type arming group can broadly extend the concept of the use of participating groups in glycosylation reactions. Easy protection and deprotection of the oNBn group further confirms its usefulness in synthesis.
The functional neuroanatomy of male psychosexual and physiosexual arousal: A quantitative meta‐analysis
Authors: Poeppl Timm B. , Langguth Berthold , Laird Angela R. , Eickhoff Simon B.
Published: May 2013

Reproductive behavior is mandatory for conservation of species and mediated by a state of sexual arousal (SA), involving both complex mental processes and bodily reactions. An early neurobehavioral model of SA proposes cognitive, emotional, motivational, and autonomic components. In a comprehensive quantitative meta‐analysis on previous neuroimaging findings, we provide here evidence for distinct brain networks underlying psychosexual and physiosexual arousal. Psychosexual (i.e., mental sexual) arousal recruits brain areas crucial for cognitive evaluation, top‐down modulation of attention and exteroceptive sensory processing, relevance detection and affective evaluation, as well as regions implicated in the representation of urges and in triggering autonomic processes. In contrast, physiosexual (i.e., physiological sexual) arousal is mediated by regions responsible for regulation and monitoring of initiated autonomic processes and emotions and for somatosensory processing. These circuits are interconnected by subcortical structures (putamen and claustrum) that provide exchange of sensorimotor information and crossmodal processing between and within the networks. Brain deactivations may imply attenuation of introspective processes and social cognition, but be necessary to release intrinsic inhibition of SA. Hum Brain Mapp 35:1404–1421, 2014. © 2013 Wiley Periodicals, Inc.
Molecules in Motion: From Sub‐Nanoscale to Macroscale
Authors: Jin Yuhuan , Rack Jeffrey J.
Published: May 2013

Ruthenium polypyridine complexes comprising sulfoxide ligands show dramatic photochromic behavior based on phototriggered S→O and O→S isomerization. Quantum yields of isomerization can be large, indicating that the excited‐state bond‐breaking and bond‐making reactions are efficient. Ultrafast transient absorption spectroscopy reveals both adiabatic and non‐adiabatic isomerization mechanisms. Incorporation of these complexes within polymer matrices leads to macroscopic bending of the polymer in an example of a direct transduction of photonic energy to mechanical energy.
Castor oil polymer induces bone formation with high matrix metalloproteinase‐2 expression
Authors: Saran Wallace Rocha , Chierice Gilberto Orivaldo , da Silva Raquel Assed Bezerra , de Queiroz Alexandra Mussolino , Paula-Silva Francisco Wanderley Garcia , da Silva Léa Assed Bezerra
Published: May 2013

The aim of this study was to evaluate the modulation of matrix metalloproteinase‐2 (MMP‐2) and −9 (MMP‐9) expression in newly formed bone tissue at the interface between implants derived from castor oil (Ricinus communis) polymer and the tibia medullary canal. Forty‐four rabbits were assigned to either Group 1 (n = 12; control) or Group 2 (n = 30), which had the tibial medullary canals reamed bilaterally and filled with polymer. CT scans showed no space between the material surface and the bone at the implant/bone marrow interface, and the density of the tissues at this interface was similar to the density measured of other regions of the bone. At 90 days postimplantation, the interface with the polymer presented a thick layer of newly formed bone tissue rich in osteocytes. This tissue exhibited ongoing maturation at 120 and 150 days postimplantation. Overall, bone remodeling process was accompanied by positive modulation of MMP‐2 and low MMP‐9 expression. Differently, in control group, the internal surface close to the medullary canal was lined by osteoblasts, followed by a bone tissue zone with few lacunae filled with osteocytes. Maturation of the tissue of the medullary internal surface occurred in the inner region, with the bone being nonlamellar. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 324–331, 2014.
Fabrication of polystyrene microscale porous substrate and its effects on HL‐7702 cells behaviors
Authors: Bi Sixin , Yang Ning , Yang Miaokun , He Xiaoling , Chen Li , Zhu Zhengyan , Gao Yingtang , Du Zhi
Published: May 2013

A novel polystyrene (PS) substrate with microscale porous structure was facilely fabricated by crystalline‐controlled casting method using mixed solvent [N,N‐dimethylformamide and ethyl alcohol (v/v)] based on the nonsolvent induced phase separation process. The substrate surfaces exhibited a bi‐continuous microscale porous morphology with high porosity, large pore size and pore–pore connection structure. Moreover, behaviors of the normal human liver cell line (HL‐7702) seeded on this substrate surface were carefully investigated. The results indicated that the cell adhesion, spread and cell–cell connection on the surface with subcellular pore size (∼10 μm) were similar to the cells proliferated on the flat PS surface. However, the number of HL‐7702 cells proliferated on the PS microscale porous surface was higher than cells on the conventional PS flat surface, suggesting that the pore–pore structure was conducive to HL‐7702 cell proliferation. Furthermore, hematoxylin and eosin staining and micronucleus test were performed. The results showed that fewer damages for nuclear and cytoplasm and less cell genotoxicity were caused by the microscale porous structure within the scope of pore size (∼10 μm) than that of the flat surface. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 1518–1526, 2014.
Purification and Partial Characterization of a Novel Neurotoxic Protein from Eggs of Black Widow Spiders (Latrodectus tredecimguttatus)
Authors: Li Jianjun , Yan Yizhong , Wang Jirong , Guo Tianyao , Hu Weijun , Duan Zhigui , Wang Xianchun , Liang Songping
Published: May 2013

Up to now, there have been a few reports on the toxic components purified from black widow spider (Latrodectus tredecimguttatus) eggs. In the present study, a novel neurotoxic protein was purified from the eggs by gel filtration combined with ion‐exchange chromatography. Its molecular weight was 23.752 kDa determined by electrospray mass spectrometry. The protein could block the neuromuscular transmission in mouse‐isolated phrenic nerve‐hemidiaphragm preparations completely in a reversible manner and activate tetrodotoxin‐sensitive sodium current in rat dorsal root ganglion cells. The N‐terminal sequence of the protein was identified by the Edman degradation to be N‐S‐I‐A‐D‐D‐R‐Y‐R‐W‐P‐G‐Y‐P‐G‐A‐G‐L‐I‐P‐Y‐I‐I‐D‐S—. When the sequence was used to search against protein database with a sequence query in Mascot engine there was no matched sequence or protein whereas the Basic Local Alignment Search Tool (BLAST) analysis indicated that no significant similarity was found. These results demonstrated that the protein (named Latroeggtoxin‐I) is a novel neurotoxic protein purified from the eggs of black widow spiders. © 2013 Wiley Periodicals, Inc. J BiochemMol Toxicol 27:337‐342, 2013; View this article online at wileyonlinelibrary.com. DOI 10.1002/jbt.21493
Impact of overestimated ENSO variability in the relationship between ENSO and East Asian summer rainfall
Authors: Fu Yuanhai , Lu Riyu , Wang Huijun , Yang Xiuqun
Published: May 2013

El Niño–Southern Oscillation (ENSO) events in the preceding winter are an important predictor used to forecast the subsequent East Asian summer rainfall (EASR). This study investigates the relationship between the preceding winter ENSO and the EASR in coupled general circulation models, by analyzing the simulated results of 18 Coupled Model Intercomparison Project Phase 3 models. It is found that more than half of these models can approximately reproduce the ENSO's delayed impact on the EASR, and five models can capture the significant ENSO–EASR relationship. All of these five models overestimate the intensity of the ENSO variability, and they are almost the models that most seriously overestimate the ENSO variability, strongly suggesting that overestimated ENSO variability can help coupled models reproduce the relationship between the ENSO and EASR. Further analyses indicate that all of the five “best” models also overestimate the intensity of tropical Indian Ocean sea surface temperature (SST) variability, and they simulate the strongest intensity of Indian Ocean SST variability among the 18 models.
Recognition of the Minoan tephra in the Acigöl Basin, western Turkey: implications for inter‐archive correlations and fine ash dispersal
Authors: SULPIZIO R. , ALÇIÇEK M. C. , ZANCHETTA G. , SOLARI L.
Published: May 2013

Here we report the recognition of the Minoan tephra layer in the Acigöl Basin (western Turkey), which represents the most eastward occurrence of this tephra on land and the first in continental deposits out of lacustrine sediments in mainland Turkey. The correlation is supported by glass and mineral geochemistry, which includes solution and laser‐ablation ICP‐MS data for trace and rare earth elements. Thickness and grain size data allow the extension of already described occurrences to an area of about 359 000 km2, from the eastern Mediterranean to Black Sea throughout central–western Turkey. Coupling dispersal area and grain‐size data suggests the joint influence of high and low atmosphere dynamics in dispersal of fine ash during volcanic eruptions. The thickness and lateral continuity of the Minoan tephra in the Acigöl Basin testifies to the widespread impact on the Late Bronze Age environment of mainland Turkey of this important ash deposit. Copyright © 2013 John Wiley & Sons, Ltd.