bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Oxidative 1,2‐Difunctionalization of Activated Alkenes with Benzylic C(sp3)—H Bonds and Aryl C(sp2)—H Bonds.
Authors: Zhou Ming‐Bo , Wang Cheng‐Yong , Song Ren‐Jie , Liu Yu , Wei Wen‐Ting , Li Jin‐Heng
Published: March 2014

Di‐tert‐butyl peroxide is utilized to mediate oxidative 1,2‐difunctionalization of activated alkenes (I) and (VI) with an aryl C(sp2)—H and a benzylic C(sp3)—H bond furnishing functionalized oxindols such as (III), (V), and (VIII) in good yields.
ChemInform Abstract: Design and Synthesis of Laser‐Activatable Tetrazoles for a Fast and Fluorogenic Red‐Emitting 1,3‐Dipolar Cycloaddition Reaction.
Authors: An Peng , Yu Zhipeng , Lin Qing
Published: March 2014

The synthesis of a series of tetrazoles (IV) containing a 405 nm photoactivatable bithiophene moiety is developed.
ChemInform Abstract: Iron(III)‐Catalyzed Synthesis of Multi‐Substituted Imidazoles via [3 + 2] Cycloaddition Reaction of Nitroolefins and N‐Aryl Benzamidines.
Authors: Liu Xiang , Wang Dong , Chen Baohua
Published: March 2014

The title reaction proceeds in the presence of an inexpensive catalyst under air in good yields and regioselectivities.
ChemInform Abstract: Controlled Heterocyclization/Cross‐Coupling Domino Reaction of β,γ‐Allendiols and α‐Allenic Esters: Method and Mechanistic Insight for the Preparation of Functionalized Buta‐1,3‐dienyl Dihydropyrans.
Authors: Alcaide Benito , Almendros Pedro , Martinez del Campo Teresa , Quiros M. Teresa , Soriano Elena , Marco‐Contelles Jose L.
Published: March 2014

For the first time, the access to enantiopure six‐membered heterocycles from two different allenes is demonstrated in a chemo‐ and regioselective palladium‐catalyzed cross‐coupling reaction.
ChemInform Abstract: Regioselective Iodination of Flavonoids by N‐Iodosuccinimide under Neutral Conditions.
Authors: Lu Kui , Chu Jie , Wang Haomeng , Fu Xiaoli , Quan Dewu , Ding Hongxia , Yao Qingwei , Yu Peng
Published: March 2014

The iodination can be conveniently directed to either the C‐6 or C‐8 position by changing the protection pattern at the C‐5 OH group.
ChemInform Abstract: Transition Metal Free Intramolecular S‐Arylation: One‐Pot Synthesis of Thiochromen‐4‐ones.
Authors: Vijay T. A. Jenifer , Nandeesh Kebbahalli N. , Raghavendra Goravanahalli M. , Rangappa Kanchugarakoppal S. , Mantelingu Kempegowda
Published: March 2014

The reaction of 2,4‐dichloroacetophenone leads also to significant amounts of methylthio substituted products (VI).
ChemInform Abstract: Synthesis of New Nicotinic Acid Derivatives and Their Evaluation as Analgesic and Antiinflammatory Agents.
Authors: Khalil Nadia Abdalla , Ahmed Eman Mohamed , Mohamed Khaled Omar , Zaitone Sawsan Abo‐Bakr
Published: March 2014

New nicotinic acid derivatives (IV) display distinctive analgesic and antiinflammatory activities in comparison to mefenamic acid as reference drug.
ChemInform Abstract: New Route to the 5‐((Arylthio‐ and Heteroarylthio)methylene)‐3‐(2,2,2‐trifluoroethyl)‐furan‐2(5H)‐ones (II) —Key Intermediates in the Synthesis of 4‐Aminoquinoline γ‐Lactams (IV) as Potent Antimalarial Compounds.
Authors: Kanishchev Oleksandr S. , Lavoignat Adeline , Picot Stephane , Medebielle Maurice , Bouillon Jean‐Philippe
Published: March 2014

Most new compounds (IV) exhibit good in vitro activity against P.
ChemInform Abstract: Palladium‐Catalyzed One‐Pot Synthesis of Benzo[b][1,6]naphthyridines via Sonogashira Coupling and Annulation Reactions from 2‐Chloroquinoline‐3‐carbonitriles.
Authors: Singh Radhey M. , Kumar Ritush , Sharma Neha , Asthana Mrityunjaya
Published: March 2014

A one‐pot sequential Sonogashira coupling and intramolecular cyclization of 2‐chloroquinoline‐3‐carbonitriles is reported.
ChemInform Abstract: Unexpected Isocyanide‐Based Cascade Cycloaddition Reaction with Methyleneindolinone.
Authors: Li Jian , Su Shikuan , Huang Mengyuan , Song Boyi , Li Chunju , Jia Xueshun
Published: March 2014

The title reaction affords polycyclic quinolines (III), (V), and (VII).
ChemInform Abstract: Synthesis and Biological Evaluation of Novel Alkyl Amide Functionalized Trifluoromethyl Substituted Pyrazolo[3,4‐b]pyridine Derivatives as Potential Anticancer Agents.
Authors: Chavva K. , Pillalamarri S. , Banda V. , Gautham S. , Gaddamedi J. , Yedla P. , Kumar C. G. , Banda N.
Published: March 2014

The title compounds (V), (VII), and (IX) are synthesized starting from amine (I) via selective N‐alkylation with bromoacetate (II), followed by reaction with various primary aliphatic amines, cyclic secondary amines amino acids.
ChemInform Abstract: Isocyanide Insertion: De novo Synthesis of Trifluoromethylated Phenanthridine Derivatives.
Authors: Cheng Yuanzheng , Jiang Heng , Zhang Yan , Yu Shouyun
Published: March 2014

Ionic isocyanide insertion from biphenyl isocyanide derivative and Usemoto′s reagent (II) is developed resulting in an efficient synthesis of 6‐trifluoromethyl substituted phenanthridines and a series of related N‐heterocycles.
ChemInform Abstract: Synthesis of Some Pyrazole‐Fused Pyrido[3,2‐a]azulenes.
Authors: Wang Dao‐Lin , Dong Zhe , Cui Qing‐Tao , Yang Fei‐Fei , Zhao Wei
Published: March 2014

The solvent dependence of this domino cyclization is discussed and a reaction mechanism is given.
ChemInform Abstract: Synthesis of 2‐Substituted 3‐Ethyl‐3H‐imidazo[4,5‐b]pyridines Catalyzed by Al3+‐Exchanged K10 Clay as Solid Acids.
Authors: Suresh Dhanusu , Dhakshinamoorthy Amarajothi , Kanagaraj Kuppusamy , Pitchumani Kasi
Published: March 2014

The reaction proceeds under mild conditions and tolerates various functional groups to provide imidazopyridine derivatives in high yields.
ChemInform Abstract: Reaction of Unsymmetrical α,β‐Unsaturated Ketones with Thiobarbituric Acid.
Authors: Klochkova I. N. , Anis'kov A. A. , Shchekina M. P. , Chuvaikina S. V. , Andreev K. A.
Published: March 2014

The title reaction affords previously unknown spiro‐compounds (III) with high regio‐ and stereoselectivity.
ChemInform Abstract: Palladium(II)‐Catalyzed Oxidative Arylation of Quinoxalin‐2(1H)‐ones with Arylboronic Acids.
Authors: Carrer Amandine , Brion Jean‐Daniel , Messaoudi Samir , Alami Mouad
Published: March 2014

An efficient Pd(II)‐catalyzed oxidative C‐H arylation of various quinoxalin‐2(1H)‐ones with arylboronic acid is developed.
ChemInform Abstract: Highly Diastereoselective DABCO‐Catalyzed [3 + 3]‐Cycloaddition of 1,4‐Dithiane‐2,5‐diol with Azomethine Imines.
Authors: Fang Xin , Li Jun , Tao Hai‐Yan , Wang Chun‐Jiang
Published: March 2014

The unprecedented cycloaddition affords highly functionalized dinitrogen‐fused heterocycles with high efficiency and excellent diastereoselectivity, which is controlled by anomeric effect.
ChemInform Abstract: Facile Synthesis of Derivatives of 1,1,3‐Trioxo‐2H,4H‐pyrrolo[1,2‐b][1,2,4,6]thiatriazine: A New Heterocyclic System.
Authors: Chen Wenmin , Zhan Peng , Rai Diwakar , Huang Boshi , Yang Jiapei , Liu Xinyong
Published: March 2014

Ring closure and Claisen rearrangement of pyrrole carboxylic acid (III) promoted by diphenylphosphoryl azide leads to the new heterocyclic system (IV) which are further functionalized.
ChemInform Abstract: Preparation of Allylboronates by Pd‐Catalyzed Borylative Cyclization of Dienynes.
Authors: Lopez‐Duran Ruth , Martos‐Redruejo Alicia , Bunuel Elena , Pardo‐Rodriguez Virtudes , Cardenas Diego J.
Published: March 2014

Reaction of dienynes (I), (IV), and (VI) with bis(pinacolato)diboron (II) affords allylic boronates (III), (V), and (VII) containing five‐ or six‐membered carbo‐ or heterocycles, by concomitant formation of one C—C and one C—B bond.
ChemInform Abstract: A New Guaianolide (I) and Other Constituents from Pterocypsela elata
Authors: Bai Yi‐Xao , Liang Hui‐Juan , Yan Fu‐Lin , Wang Xiang , Yang Yan‐Xia
Published: March 2014

isolation, structure and cytotoxicity of (I)
ChemInform Abstract: Trigoxyphins O—T, Six New Heterodimers from Trigonostemon xyphophylloides.
Authors: Yang Biao , Chen Guang‐Yin , Song Xiao‐Ping , Yang Liu‐Qing , Han Chang‐Ri , Wu Xiang‐Yang , Zheng Cai‐Juan , Ran Xu , Tang Ri‐Feng
Published: March 2014

Trigoxyphin P (II), Q (III), and T (Vb) show moderate to significant cytotoxic activity against various cancer cell lines.
ChemInform Abstract: Ervahainine A, a New Cyano‐Substituted Oxindole Alkaloid from Ervatamia hainanensis.
Authors: Wang Wen‐Jing , et al. et al.
Published: March 2014

The title compound shows growth inhibitory effects against HepG2 and HepG2/ADM cells.
ChemInform Abstract: Antimicrobial Evaluation of New Synthesized Pyridine Nucleosides under Solvent‐Free Conditions.
Authors: Rateb Nora M. , El‐Deab Hany A. , Abdou Ibrahim M.
Published: March 2014

The microwave‐induced coupling of penta‐O‐acetyl‐α‐D‐glucopyranose (I) with pyridones (II) and a subsequent triethylamine‐mediated deacetylation of resulting glycosides (III) afford novel pyridine nucleosides (IV).
ChemInform Abstract: Unusual Octalactones from Corynespora cassiicola, an Endophyte of Laguncularia racemosa.
Authors: Ebrahim Weaam , Aly Amal H. , Wray Victor , Proksch Peter , Debbab Abdessamad
Published: March 2014

Five new secondary metabolites with unusual octalactone structure are isolated from the mangrove‐derived endophyte Corynespora cassiicola, isolated from Laguncularia racemosa (Combretaceae).
ChemInform Abstract: Facile and Scalable Synthesis of Ti5Si3 Nanoparticles in Molten Salts for Metal‐Matrix Nanocomposites.
Authors: Estruga Marc , Girard Steven N. , Ding Qi , Chen Lianyi , Li Xiaochun , Jin Song
Published: March 2014

The title nanoparticles are synthesized from TiO2 and SiO2 nanoparticles in a LiCl/KCl eutectic mixture in the presence of Mg powder (autoclave, 700 °C, 2 h; 73% yield).
ChemInform Abstract: Sulfur as a Catalyst Promoter or Selectivity Modifier in Heterogeneous Catalysis
Authors: McCue Alan J. , Anderson James A.
Published: March 2014

Review: 111 refs.
ChemInform Abstract: On the Way Towards Greener Transition‐Metal‐Catalyzed Processes as Quantified by E Factors
Authors: Lipshutz Bruce H. , Isley Nicholas A. , Fennewald James C. , Slack Eric D.
Published: March 2014

Review: 31 refs.
ChemInform Abstract: The Psymberin Story — Biological Properties and Approaches Towards Total and Analogue Syntheses
Authors: Bielitza Max , Pietruszka Joerg
Published: March 2014

Review: 98 refs.
ChemInform Abstract: Syntheses of Chiral Heterocyclic Compounds via Zirconium‐Catalyzed Asymmetric Carboalumination of Alkynes (ZACA Reaction)
Authors: Negishi Ei‐ichi , Xu Shiqing
Published: March 2014

Review: 69 refs.
ChemInform Abstract: Chiral Oxazolidine Catalyst for Asymmetric Synthesis
Authors: Nakano Hiroto , Okuyama Yuko , Kwon Eunsang
Published: March 2014

Review: 35 refs.
ChemInform Abstract: Sixteen‐Membered Macrolides: Chemical Modifications and Future Applications
Authors: Ajito Keiichi , Miura Tomoaki , Furuuchi Takeshi , Tamura Atsushi
Published: March 2014

Review: 127 refs.
ChemInform Abstract: Intramolecular Enolate Alkylation: From Steroids Through Cladiellins to Isolaurallene
Authors: Kim Deukjoon
Published: March 2014

Review: 60 refs.
ChemInform Abstract: Template‐Free Multicomponent Coordination‐Driven Self‐Assembly of Pd(II)/Pt(II) Molecular Cages
Authors: Mukherjee Sandip , Mukherjee Partha Sarathi
Published: March 2014

Review: 15 refs.
ChemInform Abstract: Internal and External Factors Promoting the Diels—Alder Reaction
Authors: Kiselev V. D. , Shakirova I. I. , Konovalov A. I.
Published: March 2014

Review: 175 refs.
ChemInform Abstract: To Be or Not to Be Metal‐Free: Trends and Advances in Coupling Chemistries
Authors: Arancon Rick Arneil D. , Lin Carol Sze Ki , Vargas Carolina , Luque Rafael
Published: March 2014

Review: 87 refs.
ChemInform Abstract: Recent Trends in Pd‐Catalyzed Remote Functionalization of Carbonyl Compounds
Authors: Franzoni Ivan , Mazet Clement
Published: March 2014

Review: 35 refs.
ChemInform Abstract: Direct Functionalization of Unactivated C—H Bonds Catalyzed by Group 3—5 Metal Alkyl Complexes
Authors: Tsurugi Hayato , Yamamoto Koji , Nagae Haruki , Kaneko Hiroshi , Mashima Kazushi
Published: March 2014

Review: 85 refs.
ChemInform Abstract: Recent Developments in Glycosyl Urea Synthesis
Authors: McKay Matthew J. , Nguyen Hien M.
Published: March 2014

Review: 84 refs.
ChemInform Abstract: Catalytic Dehydration of C6 Carbohydrates for the Production of Hydroxymethylfurfural (HMF) as a Versatile Platform Chemical
Authors: Wang Tianfu , Nolte Michael W. , Shanks Brent H.
Published: March 2014

Review: 197 refs.
Model‐Predictive Feedback Control of Particle Size Distribution in Continuous Fluidised Bed Spray Granulation
Authors: Bück Andreas , Tsotsas Evangelos
Published: March 2014

Durch Rückführung gemahlener Partikel in der kontinuierlichen Wirbelschicht‐Sprühgranulation kann es zu einem oszillierenden Prozessverhalten kommen. In diesem Beitrag wird ein modellbasiertes Regelungskonzept zur Stabilisierung der instabilen Partikelgrößenverteilungen in der kontinuierlichen Wirbelschicht‐Sprühgranulation mit externer Klassierung vorgestellt. Die Regelung wird dabei nach einem modellprädiktiven Ansatz auf Basis eines populationsdynamischen Modells für die zeitliche Entwicklung der Größenverteilung der Partikel realisiert und mit Standardmethoden (PI, LQR) verglichen.
Fenton‐Type Oxidative Degradation of N,N‐Diethyl‐p‐phenylenediamine by a Mesoporous Wormhole Structured FeTUD‐1 Catalyst
Authors: Pachamuthu Muthusamy Poomalai , Karthikeyan Sekar , Sekaran Ganesan , Maheswari Rajamanickam , Ramanathan Anand
Published: March 2014

ABSTACT

Interconnected, amorphous three dimensional, iron‐containing TUD‐1 (FeTUD‐1, Si/Fe = 25) mesoporous silica was subjected as a catalyst for degradation of refractory organic compound. The catalyst was prepared by economical, eco‐friendly sol–gel method and characterized by various techniques, such as X‐ray diffraction, N2 sorption studies, diffuse reflectance UV‐Vis, Fourier transform IR, inductively coupled plasma optical emission spectrometry, scanning electron microscopy and electron paramagnetic resonance to understand the morphology and nature of the Fe species. The catalytic activity was evaluated by the oxidation of N,N‐diethyl‐p‐phenylenediamine (DPD) with H2O2 and air. All degradation studies were analyzed by UV‐Vis spectroscopy, chemical oxygen demand, and total organic carbon measurements. The effect of time, pH, H2O2 concentration, and amount of FeTUD‐1 catalyst on the DPD degradation were also examined. Heterogeneous FeTUD‐1 showed a good catalytic performance than homogeneous FeSO4 Fenton oxidation process. Besides, leaching of Fe (∼12%) was observed at pH 2. The reaction kinetics of FeTUD‐1 catalyzed degradation illustrates a first‐order kinetics. Possible degradation mechanism and formed products are discussed.
Determination of the absolute configuration of a novel odour‐active lactone, cis‐3‐methyl‐4‐decanolide, in wasabi (Wasabia japonica Matsum.)
Authors: Nakanishi Akira , Miyazawa Norio , Haraguchi Kenji , Watanabe Hiroyuki , Kurobayashi Yoshiko , Nammoku Takashi
Published: March 2014

The aroma of freshly grated wasabi (Wasabia japonica Matsum.) is not only pungent but also sweet, fruity, green and creamy. In this study we investigated wasabi aroma concentrate by aroma extract dilution analysis. Ten odorants were detected as odour‐active compounds at the highest flavour dilution factors of 256 and 1024: 3‐methyl‐2‐butene‐1‐thiol, allyl isothiocyanate, (Z)‐1,5‐octadien‐3‐one, 2‐isopropyl‐3‐methoxypyrazine, 4‐pentenyl isothiocyanate, 5‐hexenyl isothiocyanate, 3‐methyl‐2,4‐nonanedione, cis‐3‐methyl‐4‐decanolide, 6‐(methylthio)hexyl isothiocyanate, and vanillin. Among them, (Z)‐1,5‐octadien‐3‐one and cis‐3‐methyl‐4‐decanolide were identified for the first time in wasabi. To determine the absolute stereochemistry of cis‐3‐methyl‐4‐decanolide in wasabi, we synthesized the stereoisomers of 3‐methyl‐4‐decanolide from optically active γ‐decalactone. Finally, the absolute configurations of cis‐3‐methyl‐4‐decanolide were determined as (3R,4R)‐3‐methyl‐4‐decanolide by matching the retention time and odour qualities in chiral GC‐MS. Copyright © 2014 John Wiley & Sons, Ltd.
Is depression the past tense of anxiety? An empirical study of the temporal distinction
Authors: Pomerantz Andrew M. , Rose Paul
Published: March 2014

It has long been recognised that depression and anxiety share a common core of negative affect, but research on similarities and differences between these two emotions is growing. The focus of the current study was on whether the timing of a triggering event can determine whether the dominant emotional reaction is depression or anxiety. It was hypothesised that aversive events in the past would elicit more depression than anxiety, whereas the same aversive events in the future would elicit more anxiety than depression. We created temporally varied versions of vignettes describing aversive events occurring at either time, and asked participants to rate the extent to which the events would elicit feelings of depression or anxiety. Results indicated that adverse past events elicited much higher ratings of anticipated depression and adverse future events elicited much higher ratings of anticipated anxiety. Implications for understanding these two emotions and depressive and anxiety disorders are discussed.
Radiocopper for the imaging of copper metabolism
Authors: Hueting Rebekka
Published: March 2014

The redox‐active transition metal copper is an essential trace element for growth and development and serves as a structural or catalytic cofactor for many enzymes in a range of physiological processes. Mammalian copper homeostasis is tightly regulated, and an imbalance in copper metabolism is implicated in various pathological disorders. Radioactive copper isotopes, in particular 64Cu (t1/2 = 12.7 h) and 67Cu (t1/2 = 62.01 h), have made important contributions to the understanding of copper metabolism in health and disease.

This review gives a brief account of how radiolabelled copper(II) salts and bioreductive copper complexes have been used to trace copper uptake, transport and efflux in vitro and in vivo. Recently, positron emission tomography (PET) has emerged as a noninvasive tool to image copper metabolism in living subjects and 64Cu‐PET is investigated for the study of copper‐related neurological disorders, genetic diseases and cancer. Copyright © 2014 John Wiley & Sons, Ltd.
Impact of co‐deficiency of RpoN and RpoS on stress tolerance, virulence and gene regulation in Edwardsiella tarda
Authors: Liu Enfu , Ye Jiang , Song ShanShan , Wang Keping , Zhang Yuanxing , Zhang Huizhan
Published: March 2014

Edwardsiella tarda the etiological agent for edwardsiellosis, a devastating fish disease prevailing in worldwide aquaculture industries was subjected to a molecular genetic study. To research into the influence when RpoN (σ54) and RpoS (σ38) were deleted simultaneously, the double deletion mutant of RpoN (σ54) and RpoS (σ38), namely rnrs, was constructed. Firstly, RpoN and RpoS are both essential for H2O2, starvation, high osmotic pressure and acid resistance, which have synergistic effect. Secondly, virulence of rnrs reduces significantly compared to E. tarda EIB 202 WT, ΔrpoN mutant and ΔrpoS mutant. Furthermore, transcriptional control of rpoS by rpoN in stationary phase was observed through qRT‐PCR, while rpoS had no influence on rpoN in the level of transcription. Meanwhile, regulation of flagellar sigma factor σF (FliA) and other flagella‐related genes including flgA, flgK, flgL, motA, and motB by rpoS, and rpoN was found. fliA and other flagella‐related genes were controlled positively by rpoN, while negatively by rpoS. At last, two differential expression genes in transcriptional level of rnrs strain were detected by DD‐RT‐PCR, namely cheY and narK. This study therefore indicated interaction between sigma factors RpoN and RpoS, which modulates stress response, virulence, motility, and provides new insights into the regulatory networks of E. tarda.
Effect of climate change on soil organic carbon in Inner Mongolia
Authors: Zhao Dongsheng , Wu Shaohong , Dai Erfu , Yin Yunhe
Published: March 2014

This study simulated the response of soil organic carbon (SOC) to future climate change in Inner Mongolia. The Lund–Potsdam–Jena model, which is a dynamic vegetation model, was improved in accordance with the ecosystem features in China. In this study, this model was driven by the A1B, A2, and B2 climate scenarios generated by a regional climate model. To assess the spatial and temporal variations in SOC, four 30‐year periods were defined, namely baseline term (1961–1990), near term (2011–2040), middle term (2041–2070), and long term (2071–2100). Results suggest that, under the climate scenarios, soil organic carbon density (SOCD) significantly decreases from 1991 to 2100. SOCD may slightly decrease before 2025 but rapidly decreases after 2025, particularly for the A1B scenario, which shows the largest decrement in SOCD, followed by the B2 and A2 scenarios. Large and small decrements of SOCD may occur in Western and Eastern Inner Mongolia, respectively. The effects of climate change on SOCD are generally insignificant in the near term. In the middle term, the areas of SOCD decrement would expand, and the negative effects of climate change would dominate. In the long term, the negative effect of climate change would be further enhanced, and the SOCD in most areas of Inner Mongolia would decrease.
Amorphous In–Ga–Zn–O thin‐film transistors prepared by magnetron sputtering using Kr and Xe instead of Ar
Authors: Goto Tetsuya , Sugawa Shigetoshi , Ohmi Tadahiro
Published: March 2014

Heavier noble gases Kr and Xe instead of the lighter Ar during the magnetron‐sputtering deposition of amorphous indium–gallium–zinc oxide films are introduced in fabricating their thin‐film transistors (TFTs). Heavy noble gases can reduce damage to film induced by ion bombardment during the sputtering depositions. Higher field‐effect mobility with better gate bias stability can be obtained in the heavier‐noble‐gas sputtered TFTs. Raman spectroscopic analysis and X‐ray reflectometry respectively suggest that the disordered structure in the film is suppressed, and the film becomes denser by introducing heavy noble gases, corresponding to the improvement of TFT performance.
Tailoring the Supramolecular Structure of Aminated Polyrotaxanes Toward Enhanced Cellular Internalization
Authors: Yokoyama Nanako , Seo Ji‐Hun , Tamura Atsushi , Sasaki Yoshihiro , Yui Nobuhiko
Published: March 2014

The effects of the supramolecular polyrotaxane (PRX) structure on cellular internalization are investigated by flow cytometry and confocal laser scanning microscopy. AF‐545‐labeled aminated PRXs (APRXs) containing different numbers of threaded α‐cyclodextrins (CDs) and amino groups are synthesized; their cellular uptakes are analyzed using HeLa cells in serum. The APRX threaded CD number is discovered to be a more critical factor for enhancing cellular internalization than the APRX amine content. Additionally, APRXs are demonstrated to be more easily internalized than conventional linear cationic macromolecules. Because increased numbers of threaded CDs are related to increased PRX rigidity, the PRX rigid frame resulting from CD molecules threaded on a poly(ethylene glycol) (PEG) chain is suitable for intracellular tools in therapy and diagnosis.
Prozesse, Geschäftsmodelle, Strategien
Authors: Aydin Daniel , Hackelöer Kristina
Published: March 2014

Unternehmensberater zu werden, steht bei den meisten Naturwissenschaftlern nicht auf dem Wunschzettel. Dabei können sie bei Consulting‐Spezialisten, die sich auf die chemische Industrie konzentrieren, ihr Fachwissen in Projekte einbringen, so wie die Chemiker Daniel Aydin und Kristina Hackelöer.
Improved mechanical properties of organoclay/nylon 6 nanocomposites prepared via a supercritical carbon dioxide‐aided, melt blending method
Authors: Quigley John P. , Baird Donald G.
Published: March 2014

The use of supercritical carbon dioxide (scCO2) as a processing aid to help exfoliate nanoclays and improve their dispersion after melt blending in polymer matrices has been reported in the literature by our laboratory and others. Previous work has focused on nonpolar polymers such as polypropylene. In this work, the supercritical carbon dioxide‐aided, melt blending method with single‐screw compounding was applied to an organoclay/nylon 6 composite system with favorable interactions. Wide‐angle X‐ray diffraction, transmission electron microscopy, dynamic mechanical testing, and tensile tests are provided to investigate the effect of processing with scCO2 on the final composite morphology and properties. It was found that properties of composites prepared with the scCO2‐aided method were similar to or higher than those reported in the literature for samples prepared with twin‐screw compounding. At 7.6 wt% the modulus value reached 4.75 GPa which is one of the highest increases (1.7 GPa) reported for these materials processed at intermediate concentrations. Beyond 7.6 wt% the improvement due to scCO2 processing matches that of direct blending. It is possible that with the use of a twin‐screw extruder, the modulus would continue to increase. The use of nylon illustrates the importance of having functionalities that can interact with the clay during scCO2‐aided melt compounding. POLYM. COMPOS. 36:527–537, 2015. © 2014 Society of Plastics Engineers
Antibody modeling assessment II. Structures and models
Authors: Teplyakov Alexey , Luo Jinquan , Obmolova Galina , Malia Thomas J. , Sweet Raymond , Stanfield Robyn L. , Kodangattil Sreekumar , Almagro Juan Carlos , Gilliland Gary L.
Published: March 2014

To assess the state‐of‐the‐art in antibody structure modeling, a blinded study was conducted. Eleven unpublished Fab crystal structures were used as a benchmark to compare Fv models generated by seven structure prediction methodologies. In the first round, each participant submitted three non‐ranked complete Fv models for each target. In the second round, CDR‐H3 modeling was performed in the context of the correct environment provided by the crystal structures with CDR‐H3 removed. In this report we describe the reference structures and present our assessment of the models. Some of the essential sources of errors in the predictions were traced to the selection of the structure template, both in terms of the CDR canonical structures and VL/VH packing. On top of this, the errors present in the Protein Data Bank structures were sometimes propagated in the current models, which emphasized the need for the curated structural database devoid of errors. Modeling non‐canonical structures, including CDR‐H3, remains the biggest challenge for antibody structure prediction. Proteins 2014; 82:1563–1582. © 2014 Wiley Periodicals, Inc.
Invariance of molecular response properties under a coordinate translation
Authors: Lazzeretti Paolo
Published: March 2014

The response of a molecule to static and dynamic electromagnetic fields and intramolecular perturbations is reviewed within the framework of the Rayleigh–Schrödinger perturbation theory. A semiclassical approach is adopted, using quantized form of electronic operators and the nonquantized description of the electromagnetic fields via the Maxwell equations. The Bloch multipolar gauge has been used to define operators suitable to describe the molecular interaction with nonhomogneous time‐dependent perturbations. It is shown that the quantum mechanical theory of magnetic properties can profitably be proposed in terms of electronic current densities induced by an external magnetic field and permanent magnetic dipole moments at the nuclei. Theoretical relationships are reported to evaluate magnetizability, nuclear magnetic shielding, and nuclear spin‐spin coupling, proving that the whole theory can be reformulated via the equations of classical electromagnetism, provided that the current density is evaluated by quantum mechanical methods. Emphasis is placed on the invariance of response properties in a translation of the coordinate system as a basic requirement for measurability. The connections among translational invariance, gauge invariance, and electron charge conservation are outlined, showing that they can be illustrated via quantum mechanical sum rules. A number of relationships describing the change of static and dynamic electromagnetic properties in a translation of the reference frame are reported. © 2014 Wiley Periodicals, Inc.
Foliations and conjugacy: Anosov structures in the plane
Authors: GROISMAN JORGE , NITECKI ZBIGNIEW
Published: March 2014

In a non-compact setting, the notion of hyperbolicity, together with the associated structure of stable and unstable manifolds (for unbounded orbits), is highly dependent on the choice of metric used to define it. We consider the simplest version of this, the analogue for the plane of Anosov diffeomorphisms, studied earlier by White and Mendes. The two known topological conjugacy classes of such diffeomorphisms are linear hyperbolic automorphisms and translations. We show that if the structure of stable and unstable manifolds is required to be preserved by these conjugacies, the number of distinct equivalence classes of Anosov diffeomorphisms in the plane becomes infinite.
Flexible periodic points
Authors: BONATTI CHRISTIAN , SHINOHARA KATSUTOSHI
Published: March 2014

We define the notion of ${\it\varepsilon}$-flexible periodic point: it is a periodic point with stable index equal to two whose dynamics restricted to the stable direction admits ${\it\varepsilon}$-perturbations both to a homothety and a saddle having an eigenvalue equal to one. We show that an ${\it\varepsilon}$-perturbation to an ${\it\varepsilon}$-flexible point allows us to change it to a stable index one periodic point whose (one-dimensional) stable manifold is an arbitrarily chosen $C^{1}$-curve. We also show that the existence of flexible points is a general phenomenon among systems with a robustly non-hyperbolic two-dimensional center-stable bundle.
A Coptic Fragment of the Gospel of John withHermeneiai(P.CtYBR inv. 4641)
Authors: Jones Brice C.
Published: March 2014

This article discusses briefly a category of New Testament manuscripts with ‘hermeneiai’ before offering a critical edition of P.CtYBR inv. 4641, a Coptic codex leaf containing portions of the text of John that was recently discovered by the present author in the Beinecke Rare Book and Manuscript Library, Yale University. Unidentified until now, this codex leaf represents the first known example of ahermeneiamanuscript of John written solely in Coptic. As such, the Yale fragment has much significance for discussions about the ἑρμηνεία manuscripts, their origin, influences and functions.
Who is ‘of Christ’? A Grammatical and Theological Reconsideration of 1 Cor 1.12
Authors: Prothro James B.
Published: March 2014

In 1 Cor 1.12 Paul summarises a report he has received about divisions in the Corinthian congregation and attributes four so-called slogans to the Corinthians: ‘I am of Paul; I am of Apollos; I am of Cephas; I am of Christ’. Exegetes have puzzled especially over the final slogan, ‘I am of Christ’. This paper argues that this phrase was written as Paul's own claim against the divided Corinthians and belongs to no sectarian ‘Christ-group’. I attempt to demonstrate that this reading is grammatically possible, contextually consistent and therefore exegetically preferable.
‘We do Not Want You to Be Unaware …’: Disclosure, Concealment and Suffering in 2 Cor 1–7
Authors: Starling David I.
Published: March 2014

This article argues that the double negative form of the ‘disclosure formula’ in 2 Cor 1.8 (οὐ … θέλομεν ὑμᾶς ἀγνοεῖν) is not merely a stylistic variation on θέλομεν ὑμᾶς γινώσκειν but performs the additional rhetorical function of disavowing any attempt on Paul's part to hide the story of his sufferings from the church in Corinth. The transition from 1.8–11 to 1.12–14 (which many commentators struggle to explain) thus becomes a smooth and obvious one, suggesting a close interconnection between Paul's defence of his transparency and integrity in 1.12–2.13 and his apology for his sufferings in 2.14–7.4.
A cross-sectional study to assess the long-term health status of patients with lower respiratory tract infections, including Q fever
Authors: van DAM A. S. G. , van LOENHOUT J. A. F. , PETERS J. B. , RIETVELD A. , PAGET W. J. , AKKERMANS R. P. , OLDE LOOHUIS A. , HAUTVAST J. L. A. , van der VELDEN J.
Published: March 2014

Patients with a lower respiratory tract infection (LRTI) might be at risk for long-term impaired health status. We assessed whether LRTI patients without Q fever are equally at risk for developing long-term symptoms compared to LRTI patients with Q fever. The study was a cross-sectional cohort design. Long-term health status information of 50 Q fever-positive and 32 Q fever-negative LRTI patients was obtained. Health status was measured by the Nijmegen Clinical Screening Instrument. The most severely affected subdomains of the Q fever-positive group were ‘general quality of life’ (40%) and ‘fatigue’ (40%). The most severely affected subdomains of the Q fever-negative group were ‘fatigue’ (64%) and ‘subjective pulmonary symptoms’ (35%). Health status did not differ significantly between Q fever-positive LRTI patients and Q fever-negative LRTI patients for all subdomains, except for ‘subjective pulmonary symptoms’ (P = 0·048).
Characterization ofSalmonellaEnteritidis strains isolated from poultry and farm environments in Brazil
Authors: CAMPIONI F. , ZOLDAN M. M. , FALCÃO J. P.
Published: March 2014

SalmonellaEnteritidis is a major causative agent of foodborne outbreaks worldwide. Using enterobacterial repetitive intergenic consensus-polymerase chain reaction (ERIC-PCR) and pulsed-field gel electrophoresis (PFGE), this study assessed the genetic relatedness, the pathogenic potential, and antimicrobial resistance in 60 strains isolated from chickens and the farm environment in Brazil between 2004 and 2010. The resulting concatenated dendrogram of the two methodologies distinguished the strains into two clusters. Some strains isolated from the two sources were indistinguishable. All the strains contained the 13 virulence markers investigated. Forty-four strains were resistant to nalidixic acid. Quinolone resistance presented by many strains suggests that quinolones may have been used to treat chickens. The high prevalence of virulence markers highlights the importance of poultry as vehicles ofS.Enteritidis strains that have the potential to cause disease.
Houses for responsible hedonists: Troppo Architects in the North of Australia, 1980–1990
Authors: Huang Jessica , Radford Antony
Published: March 2014

Troppo Architects was established in Darwin, northern Australia, in 1981. The radical ‘Troppo Style’ of their houses designed in the 1980s blur edges between indoors and outdoors, formality and informality, and enclosure and openness. In this paper a corpus of ten of those houses is examined through the lens of philosopher Warwick Fox's concept of responsive cohesion. This is a unique quality of the relations between the internal components of a ‘thing’ and also between the ‘thing’ and its contexts. The houses are exemplary in demonstrating this quality of mutual and subtle response through the interactions between their form and local environmental and cultural contexts, including the idea of responsible hedonism as a design principle.

The research utilises original documents, site visits and interviews with stakeholders, particularly the architects and the residents. The outcomes reveal interlocking links between the dwelling, the place, the values of the architects and their clients, and the global bio-physical world. They show objectives of personal enjoyment of life and environmental responsibility could co-exist in harmony. However, the research also shows how these houses change over time depending on their location and on the attitudes of their owners. They would not work elsewhere, or for clients without a similar attitude to life and the pleasures offered by everyday living close to the variety and stimuli of the outdoors.
Connecting to the (virtual) ground: between groundedness and groundlessness in Second Life
Authors: Antonopoulou Aikaterini
Published: March 2014

The ground as the solid surface of the earth, as the land that lies under our feet and as the foundation on which anything built rests, has always served as a condition of a possibility of place. Heaviness and gravity on the one hand, and the attempts to overcome them through high-rise constructions on the other, define physical space and create different sorts of spatial relationships. Now that mobility and connectivity have introduced a new dynamism and flexibility, and the attention increasingly shifts from the one and only ‘native’ ground to multiple material and immaterial conditions that shape our existence, the question is whether the attachment to the ground refers to the materiality of the ground itself or to some sort of phantasmatic background context. In a world that is less about place and more about places, less about origins and more about connections between the different sites of our lives, the notion of ‘groundedness’ mediates between materiality and symbolism. Similarly to physical space, cyberspace is also capable of creating a ‘there’ and a place, establishing new geographies and different sorts of attachment. Are we then moving from a conscious attachment to a native ground and a single home, to a multiplicity of places, grounds, and, if possible, ‘homes’? This attachment to the ground is the focus of this essay. It mediates between groundedness and groundlessness: from the Heideggerian ‘being in the world’ as ‘being on the earth’ and the understanding of the ‘native ground’ as a repository of meanings and memories, to flying in the physical world and studying an avatar's weightless existence in virtual worlds. By using examples taken from the virtual world of Second Life, it aims to question the symbolisation of the ground, and through this, to explore the forms that placeness takes within digitisation.
Investigating Processes of Nanocrystal Formation and Transformation via Liquid Cell TEM
Authors: Nielsen Michael H. , Li Dongsheng , Zhang Hengzhong , Aloni Shaul , Han T. Yong-Jin , Frandsen Cathrine , Seto Jong , Banfield Jillian F. , Cölfen Helmut , De Yoreo James J.
Published: March 2014

Recentex situobservations of crystallization in both natural and synthetic systems indicate that the classical models of nucleation and growth are inaccurate. However,in situobservations that can provide direct evidence for alternative models have been lacking due to the limited temporal and spatial resolution of experimental techniques that can observe dynamic processes in a bulk solution. Here we report results from liquid cell transmission electron microscopy studies of nucleation and growth of Au, CaCO3, and iron oxide nanoparticles. We show how thesein situdata can be used to obtain direct evidence for the mechanisms underlying nanoparticle crystallization as well as dynamic information that provide constraints on important energetic parameters not available throughex situmethods.
New era for mucosal mast cells: their roles in inflammation, allergic immune responses and adjuvant development
Authors: Kurashima Yosuke , Kiyono Hiroshi
Published: March 2014

To achieve immune homeostasis in such a harsh environment as the intestinal mucosa, both active and quiescent immunity operate simultaneously. Disruption of gut immune homeostasis leads to the development of intestinal immune diseases such as colitis and food allergies. Among various intestinal innate immune cells, mast cells (MCs) play critical roles in protective immunity against pathogenic microorganisms, especially at mucosal sites. This suggests the potential for a novel MC-targeting type of vaccine adjuvant. Dysregulated activation of MCs also results in inflammatory responses in mucosal compartments. The regulation of this yin and yang function of MCs remains to be elucidated. In this review, we focus on the roles of mucosal MCs in the regulation of intestinal allergic reaction, inflammation and their potential as a new target for the development of mucosal adjuvants.
A core–shell composite of porous ZnO nanosheets and a multichromic conducting polymer: enhanced electrochromic performances
Authors: Lv Xiaojing , Sun Jingwei , Wang Pingjing , Wu Qichao , Ouyang Mi , Huang Senbiao , Yang Yuan , Zhang Cheng
Published: March 2014

The core–shell composite film exhibits higher optical contrast, faster switching speed and better electrochemical stability.
Following ORR intermediates adsorbed on a Pt cathode catalyst during break-in of a PEM fuel cell by in operando X-ray absorption spectroscopy
Authors: Ramaker D. E. , Korovina A. , Croze V. , Melke J. , Roth C.
Published: March 2014

In operando X-ray absorption spectroscopy data using the Δμ X-ray Absorption Near Edge Spectroscopy (XANES) analysis procedure is used to follow the ORR intermediate adsorbate coverage on a working catalyst in a PEMFC during initial activation and break-in.
Enhancing tetralin hydrogenation activity and sulphur-tolerance of Pt/MCM-41 catalyst with Al(NO3)3, AlCl3and Al(CH3)3
Authors: Luo Mingjian , Wang Qingfa , Li Guozhu , Zhang Xiangwen , Wang Li , Jiang Tao
Published: March 2014

The isolation, anchor and electron-withdrawing effect of aluminum promoters greatly improve the tetralin hydrogenation activity and sulfur-tolerance of Pt/MCM-41 catalyst.
Cooperative N-heterocyclic carbene (NHC)–Lewis acid-mediated regioselective umpolung formal [3 + 2] annulations of alkynyl aldehydes with isatins
Authors: Zhang Yu , Lu Yingyan , Tang Weifang , Lu Tao , Du Ding
Published: March 2014

A novel synthesis of spirooxindoles has been developed by cooperative NHC–Lewis acid-mediated formal [3 + 2] annulations of alkynyl aldehydes with isatins.
Novel linear-dendritic-like amphiphilic copolymers: synthesis and self-assembly characteristics
Authors: Fan Xiaoshan , Wang Zhuo , Yuan Du , Sun Yang , Li Zibiao , He Chaobin
Published: March 2014

Tailoring the self-assembly of linear-dendritic-like amphiphilic copolymers via stereocomplexation.
What is a hydrogen bond? Resonance covalency in the supramolecular domain
Authors: Weinhold Frank , Klein Roger A.
Published: March 2014

We address the broader conceptual and pedagogical implications of recent recommendations of the International Union of Pure and Applied Chemistry (IUPAC) concerning the re-definition of hydrogen bonding, drawing upon the recommended IUPAC statistical methodology of mutually correlated experimental and theoretical descriptors to operationally address the title question. Both direct and statistical lines of evidence point to the essentialresonance covalencyof H-bonding interactions, rather than the statistically insignificant “dipole–dipole” character that is persistently advocated in current textbooks. The revised conception of H-bonding is both supported by modern quantum chemical technology and consistent with the pre-quantal insights of G. N. Lewis and other bonding pioneers. We offer specific suggestions for how relatively minor changes in the usual discussion of Lewis-structural and resonance concepts—supported by modern web-based computational modeling tools—can readily accommodate this fundamental change of perspective.
Scattering theory with path integrals
Authors: Rosenfelder R.
Published: March 2014

Starting from well-known expressions for the T-matrix and its derivative in standard nonrelativistic potential scattering, I rederive recent path-integral formulations due to Efimov and Barbashov et al. Some new relations follow immediately.
Wave kernels for the Dirac, Euler operators and the harmonic oscillator
Authors: Mohameden Ahmedou Yahya Ould , Moustapha Mohamed Vall Ould
Published: March 2014

Explicit solutions for the wave equations associated to the Dirac, Euler operators and the harmonic oscillator are given.
Process tomography for unitary quantum channels
Authors: Gutoski Gus , Johnston Nathaniel
Published: March 2014

We study the number of measurements required for quantum process tomography under prior information, such as a promise that the unknown channel is unitary. We introduce the notion of an interactive observable and we show that any unitary channel acting on a d-level quantum system can be uniquely identified among all other channels (unitary or otherwise) with only O(d2) interactive observables, as opposed to the O(d4) required for tomography of arbitrary channels. This result generalizes to the problem of identifying channels with at most q Kraus operators, and slight improvements can be obtained if we wish to identify such a channel only among unital channels or among other channels with q Kraus operators. These results are proven via explicit construction of large subspaces of Hermitian matrices with various conditions on rank, eigenvalues, and partial trace. Our constructions are built upon various forms of totally nonsingular matrices.
The effect of boundary adaptivity on hexagonal ordering and bistability in circularly confined quasi hard discs
Authors: Williams Ian , Oğuz Erdal C. , Jack Robert L. , Bartlett Paul , Löwen Hartmut , Royall C. Patrick
Published: March 2014

The behaviour of materials under spatial confinement is sensitively dependent on the nature of the confining boundaries. In two dimensions, confinement within a hard circular boundary inhibits the hexagonal ordering observed in bulk systems at high density. Using colloidal experiments and Monte Carlo simulations, we investigate two model systems of quasi hard discs under circularly symmetric confinement. The first system employs an adaptive circular boundary, defined experimentally using holographic optical tweezers. We show that deformation of this boundary allows, and indeed is required for, hexagonal ordering in the confined system. The second system employs a circularly symmetric optical potential to confine particles without a physical boundary. We show that, in the absence of a curved wall, near perfect hexagonal ordering is possible. We propose that the degree to which hexagonal ordering is suppressed by a curved boundary is determined by the “strictness” of that wall.
A direct measurement of the electronic structure of Si nanocrystals and its effect on optoelectronic properties
Authors: Mustafeez Waqas , Majumdar Arka , Vučković Jelena , Salleo Alberto
Published: March 2014

Since reports that silicon nanocrystals (Si-NCs) can exhibit direct transition emission, the silicon laser field is at a juncture where the importance of this discovery needs to be evaluated. Most theoretical models predicted a monotonic increase in the bandgap and experimental information currently available on the electronic structure at the Γ valley of these promising materials is circumstantial as it is obtained from emission measurements where competing non-radiative relaxation and recombination processes only provide an incomplete picture of the electronic structure of Si-NCs. Optical absorption, the most immediate probe of the electronic structure beyond the band-edges, showing the evolution of the Γ valley states with nanocrystal size has not been measured. Here, we show such measurements, performed with high dynamic range, allowing us to observe directly the effect of crystal size on the Γ valley splitting far above the band-edges. We show that the splitting is 100 s of meV more pronounced than predicted by pseudo potential calculations and Luttinger-Kohn model. We also show that ultrafast red-shifting emission can be observed in plasma enhanced chemical vapor deposition prepared Si-NCs.