bluuebunny/crossref_metadata_2025 huggingface dataset:
Silk Fibroin–Substrate Interactions at Heterogeneous Nanocomposite Interfaces
Authors: Grant Anise M. , Kim Ho Shin , Dupnock Trisha L. , Hu Kesong , Yingling Yaroslava G. , Tsukruk Vladimir V.
Published: July 2016

Silk fibroin adsorption at the heterogeneous hydrophobic–hydrophilic surface of graphene oxide (GO) with different degrees of oxidation is addressed experimentally and theoretically. Samples are prepared using various spin‐assisted deposition conditions relevant to assembly of laminated nanocomposites from graphene‐based components, and compared with silicon dioxide (SiO2) as a benchmark substrate. Secondary structure of silk backbones changes as a function of silk fibroin concentration, substrate chemical composition, and deposition dynamics are assessed and compared with molecular dynamic simulations. It is observed that protofibrils form at low concentrations while variance in the deposition speed has little effect on silk secondary structure and morphology. However, balance of nonbonded interactions between electrostatic and van der Waals contributions can lead to silk secondary structure retention on the GO surface. Molecular dynamics simulations of silk fibroin at different surfaces show that strong van der Waals interactions play a pivotal role in losing and disrupting secondary structure on graphene and SiO2 surfaces. Fine tuning silk fibroin structure on heterogeneous graphene‐based surfaces paves the way toward development of biomolecular reinforcement for biopolymer–graphene laminated nanocomposites.
Dye Modification of Nanofibrous Silicon Oxide Membranes for Colorimetric HCl and NH3 Sensing
Authors: Geltmeyer Jozefien , Vancoillie Gertjan , Steyaert Iline , Breyne Bet , Cousins Gabriella , Lava Kathleen , Hoogenboom Richard , De Buysser Klaartje , De Clerck Karen
Published: July 2016

Colorimetric sensors for monitoring and visual reporting of acidic environments both in water and air are highly valuable in various fields, such as safety and technical textiles. Until now sol‐gel‐based colorimetric sensors are usually nonflexible bulk glass or thin‐film sensors. Large‐area, flexible sensors usable in strong acidic environments are not available. Therefore, in this study organically modified silicon oxide nanofibrous membranes are produced by combining electrospinning and sol‐gel technology. Two pH‐indicator dyes are immobilized in the nanofibrous membranes: methyl yellow via doping, methyl red via both doping, and covalent bonding. This resulted in sensor materials with a fast response time and high sensitivity for pH‐change in water. The covalent bond between dye and the sol‐gel network showed to be essential to obtain a reusable pH‐sensor in aqueous environment. Also a high sensitivity is obtained for sensing of HCl and NH3 vapors, including a memory function allowing visual read‐out up to 20 min after exposure. These fast and reversible, large‐area flexible nanofibrous colorimetric sensors are highly interesting for use in multiple applications such as protective clothing and equipment. Moreover, the sensitivity to biogenic amines is demonstrated, offering potential for control and monitoring of food quality.
V2O5 Thin Films for Flexible and High Sensitivity Transparent Temperature Sensor
Authors: Bianchi Catarina , Loureiro Joana , Duarte Paulo , Marques Jose , Figueira Joana , Ropio Ines , Ferreira Isabel
Published: July 2016

This work reports the optimization of V2O5 Seebeck coefficient to obtain high sensitivity and transparent temperature sensors. It is observed that the film thickness plays a major role on the thermoelectric properties, together with the annealing step, obtaining a Seebeck coefficient of −690 μV K−1, for 75 nm thick V2O5 films deposited on glass, after an annealing step of 1 h at 773 K, in air. The V2O5 films are also deposited and optimized on polyimide substrates, but lower annealing temperature is required, 573 K for 3 h, to maintain the flexibility of the substrate and simultaneously high Seebeck coefficient, −591 μV K−1. These films are used in a simple design sensor and tested on the surface of a microfluidic channel (500 μm) made of polydimethylsiloxane, while having hot water flowing through it. The response time is below 1 s and the recovery time around 5 s.
A new optimization model and a customized solution method for natural gas production network design and operation
Authors: Li Dan , Li Xiang
Published: July 2016

This article proposes to tackle integrated design and operation of natural gas production networks under uncertainty, using a new two‐stage stochastic programming model, a novel reformulation strategy, and a customized global optimization method. The new model addresses material balances for multiple key gas components, pressure flow relationships in gas wells and pipelines, and compressor performance. This model is a large‐scale nonconvex mixed‐integer nonlinear programming problem that cannot be practically solved by existing global optimization solvers or decomposition‐based optimization methods. With the new reformulation strategy, the reformulated model has a better decomposable structure, and then a new decomposition‐based global optimization method is developed for efficient global optimization. In the case study of an industrial naturals production system, it is shown that the proposed modeling and optimization methods enable efficient solution, and the proposed optimization method is faster than a state‐of‐the‐art decomposition method by at least an order of magnitude. © 2016 American Institute of Chemical Engineers AIChE J, 63: 933–948, 2017
Synthesis, characterization and in vitro antimicrobial and anti‐breast cancer activity studies of metal complexes of novel pentadentate azo dye ligand
Authors: Mahmoud Walaa H. , Sayed Fatma N. , Mohamed Gehad G.
Published: July 2016

A new azo dye with N3O2 donor set of atoms has been synthesized via coupling reaction of 2,6‐diaminopyridine with p‐methoxybenzaldehyde. The molecular and electronic structure of the azo dye ligand (L) was optimized theoretically and the quantum chemical parameters were calculated. Molecular docking was used to predict the binding between L and the receptors of breast cancer mutant 3hb5‐oxidoreductase, crystal structure of Escherichia coli (3 T88) and crystal structure of Staphylococcus aureus (3q8u). The newly synthesized L was used for complex formation with Cr(III), Mn(II), Fe(III), Co.(II), Ni(II), Cu(II), Zn(II) and Cd(II) ions. The nature of bonding and the stoichiometry of L and its mononuclear complexes were deduced from elemental analyses, spectroscopic, magnetic susceptibility, molar conductance, electron spin resonance and conductivity measurements, thermogravimetric analyses and powder X‐ray diffraction. Elemental analysis data show that the complexes have composition of ML type with an octahedral geometry for all the complexes. The activation thermodynamic parameters were calculated. The prepared azo dye and its metal complexes were tested against various Gram‐positive and Gram‐negative bacteria and a fungus. Most complexes exhibit antibacterial and antifungal activities against these organisms. Anticancer evaluation studies against standard breast cancer cell line were performed using various concentrations. The activity index was calculated. Copyright © 2016 John Wiley & Sons, Ltd.
Gain insight into impact of eating disorders on student‐athletes
Authors: McCarthy Claudine
Published: July 2016

CLEARWATER BEACH, FLA. — When a student‐athlete develops an eating disorder, many assume it's nothing more than losing weight to improve performance.
Determine if part‐time coaches qualify as independent contractors or employees, per new FLSA regs
Authors: O'Brien Timothy
Published: July 2016

The new regulations under the Fair Labor Standards Act have led colleges and universities to carefully scrutinize how they compensate their coaches. The potential liability for overtime payments is so significant that many schools are worried about reconfiguring and managing the existing work practices of their coaches while staying within their already strained budgets.
The Synthesis of trans‐Flavan‐3‐ol Gallates by Regioselective Oxidative Etherification and Their Cytotoxicity Mediated by 67 LR
Authors: Shiraishi Nana , Kumazoe Motofumi , Fuse Shinichiro , Tachibana Hirofumi , Tanaka Hiroshi
Published: July 2016

We report on a chiral pool approach for the synthesis of trans‐flavan‐3‐ol gallates from epichlorohydrin. The trans‐flavan‐3‐ol gallates were prepared by the cycloetherification of the phenol at the C2 benzylic position of 2‐acylozyl‐1,3‐diarylpropane during regioselective C−H oxidation. The 1,3‐diarylpropanes were prepared starting from epichlorohydrin by epoxide opening with A and B ring precursors, followed by acylation of the resultant alcohol with galloyl chloride. The availability of both the enantiomers of epichlorohydrin allowed the preparation of the corresponding enantiomer using the same procedure. The cytotoxicity of the compounds against U266 cells was tested, in which 5‐deoxy‐7,3′‐O‐dimethyl gallocatechin gallate exhibited cytotoxicity that was more than ten times stronger than natural (−)‐EGCG. In addition, the absolute configuration of the derivatives did not critically affect the biological activity.
ChemInform Abstract: Broensted Acid Catalyzed Functionalization of Aromatic Alcohols Through Nucleophilic Substitution of Hydroxyl Group.
Authors: Mishra Abhishek Kumar , Biswas Srijit
Published: July 2016

A simple direct nucleophilic substitution of OH‐groups in phenols, naphthols and 6‐hydroxyquinoline with O‐, S‐, N‐, and C‐nucleophiles is achieved with TosOH·H2O as catalyst.
ChemInform Abstract: Synthesis of Polyfunctionalized Benzophenones via the Reaction of 3‐Formylchromones with Tertiary Push—Pull Enamines.
Authors: Barkov Alexey Yu. , Korotaev Vladislav Yu. , Kutyashev Igor B. , Sosnovskikh Vyacheslav Ya.
Published: July 2016

Reaction of pyran (I) with tertiary enamines proceeds in refluxing acetonitrile without any catalyst to give polyfunctionalized benzophenone derivatives as a result of a [3 + 3] annulation.
ChemInform Abstract: A Convenient One‐Pot Synthesis of Triazolopyridine and Related Heterocycle Fused‐Triazole Analogues Through Copper Catalyzed Oxidative Cyclization Strategy.
Authors: Srinivasan R. , Sembian Ruso J. , Nagarajan N. S. , Senthil Kumaran R. , Manickam G.
Published: July 2016

The synthesis of the title compounds from various aldehydes and heteroarylhydrazines involves the oxidative cyclization of in situ generated hydrazones under mild reaction conditions as key step.
ChemInform Abstract: Ring‐Opening of Carbamate‐Protected Aziridines and Azetidines in Liquid Sulfur Dioxide.
Authors: Luginina Jevgenija , Uzulena Jevgenija , Posevins Daniels , Turks Maris
Published: July 2016

The ring‐opening of N‐carbamate‐protected aziridines and azetidines with thio nucleophiles and halides in liquid sulfur dioxide as highly polar solvent is investigated.
ChemInform Abstract: Exceptional Activity of Gallium(III) Chloride and Chlorogallate(III) Ionic Liquids for Baeyer—Villiger Oxidation.
Authors: Markiton Magdalena , Chrobok Anna , Matuszek Karolina , Seddon Kenneth R. , Swadzba‐Kwasny Malgorzata
Published: July 2016

The Baeyer—Villinger oxidation of cyclic ketones with H2O2 as oxidizing agent using a range of metal chlorides in different solvents or neat chlorogallate(III) ionic liquids is investigated.
ChemInform Abstract: Chiral N‐Phosphonyl Imines for an Aza‐Morita—Baylis—Hillman Reaction via Group‐Assisted Purification (GAP) Chemistry.
Authors: Yang Bing , Shen Minxing , Ji Xiaozhou , Xu Ziyan , Sun Hao , Jiang Bo , Li Guigen
Published: July 2016

Utilization of group‐assisted purification chemistry provides pure products by washing the crude materials with hexane/ethyl acetate co‐solvents.
ChemInform Abstract: Dimethyl Malonate/LHMDS System as a New Protocol for Generating Methyl Formate Anion (‐COOMe) in the Condensed‐Phase.
Authors: Di Bussolo Valeria , Princiotto Salvatore , Martinelli Elisa , Bordoni Vittorio , Crotti Paolo
Published: July 2016

Treatment of dimethyl malonate with LiN(Tms)2 generates the expected lithium enolate and methyl formate anion.
ChemInform Abstract: Mild and Site‐Selective Allylation of Enol Carbamates with Allylic Carbonates under Rhodium Catalysis
Authors: Sharma Satyasheel , Han Sang Hoon , Oh Yongguk , Mishra Neeraj Kumar , Han Sangil , Kwak Jong Hwan , Lee Seok‐Yong , Jung Young Hoon , Kim In Su
Published: July 2016

gives various allylic alcohols and terminal allylated products
ChemInform Abstract: Amide α,β‐Dehydrogenation Using Allyl‐Palladium Catalysis and a Hindered Monodentate Anilide.
Authors: Chen Yifeng , Turlik Aneta , Newhouse Timothy R.
Published: July 2016

Amides are dehydrogenated using a novel and recyclable base, lithium N‐cyclohexyl anilide.
ChemInform Abstract: Copper Porphyrin‐Catalyzed Aerobic Oxidative Coupling of Terminal Alkynes with High TON.
Authors: Sheng Wen‐Bing , Chen Tie‐Qiao , Zhang Ming‐Zhong , Tian Mi , Jiang Guo‐Fang , Guo Can‐Cheng
Published: July 2016

The title coupling reaction provides access to various functionalized 1,3‐diynes under mild conditions and in a short reaction time.
ChemInform Abstract: α‐Carbamoylsulfides as N‐Carbamoylimine Precursors in the Visible Light Photoredox‐Catalyzed Synthesis of α,α‐Disubstituted Amines.
Authors: Lebee Clement , Languet Morgan , Allain Clemence , Masson Geraldine
Published: July 2016

The procedure allows the preparation of a broad spectrum of the desired target compounds.
ChemInform Abstract: Pd/C as an Efficient and Reusable Catalyst for the Selective N‐Alkylation of Amines with Alcohols.
Authors: Liu Xiang , Hermange Philippe , Ruiz Jaime , Astruc Didier
Published: July 2016

The title reaction features sustainable, simple, and economic process, but bromophenyl group is not tolerated because of the unfavorable competition with dehalogenation reaction.
ChemInform Abstract: Enantioconvergent Fukuyama Cross‐Coupling of Racemic Benzylic Organozinc Reagents.
Authors: Oost Rik , Misale Antonio , Maulide Nuno
Published: July 2016

A variety of enantioenriched α‐disubstituted ketones are prepared by the first general catalytic asymmetric method for the cross‐coupling of thioesters by deracemization of racemic benzylic organozinc reagents under mild reaction conditions.
ChemInform Abstract: Visible‐Light‐Mediated Aromatic Substitution Reactions of Cyanoarenes with 4‐Alkyl‐1,4‐dihydropyridines Through Double Carbon—Carbon Bond Cleavage.
Authors: Nakajima Kazunari , Nojima Sunao , Sakata Ken , Nishibayashi Yoshiaki
Published: July 2016

The title reaction affords alkyl‐substituted arenes in good to high yields.
ChemInform Abstract: One‐Pot Synthesis of Acyloxy Carbonyl Compounds from Ketones Using a Pybox—Copper(II) Catalyst.
Authors: Jia Wei‐Guo , Zhang Hui , Li Dan‐Dan , Yan Li‐Qin
Published: July 2016

A series of α‐acyloxy ketone products are prepared for the first time by an efficient, green one‐pot method from ketones under mild reaction conditions.
ChemInform Abstract: Direct α‐Acyloxylation of Organic Sulfides with the Hypervalent (Diacyloxyiodo)benzene/Tetra‐n‐butylammonium Bromide (TBAB) Reagent Combination.
Authors: Zhu Dan , Chang Denghu , Gan Shaoyan , Shi Lei
Published: July 2016

α‐Acyloxy sulfides are directly synthesized under metal‐free conditions starting from a broad range of readily available alkyl sulfides.
ChemInform Abstract: Molecular Iodine‐Mediated Difunctionalization of Alkenes with Nitriles and Thiols Leading to β‐Acetamido Sulfides.
Authors: Cui Huanhuan , Liu Xiaoxia , Wei Wei , Yang Daoshan , He Chenglong , Zhang Tiantian , Wang Hua
Published: July 2016

A three‐component reaction of olefins, thiols, and aliphatic nitriles with molecular iodine as catalyst is presented to give β‐acylamidosulfides.
ChemInform Abstract: Cationic Pd(II)‐Catalyzed C—H Activation/Cross‐Coupling Reactions at Room Temperature: Synthetic and Mechanistic Studies.
Authors: Nishikata Takashi , Abela Alexander R , Huang Shenlin , Lipshutz Bruce H
Published: July 2016

The cationic palladium complex enables C—H activation of arylureas with arylboronic acids and acrylates in Suzuki—Miyaura and Fujiwara—Moritani couplings, resp., under milder reaction conditions than those previously reported.
ChemInform Abstract: α‐Arylation of Ketimines with Aryl Sulfides at a Low Palladium Catalyst Loading.
Authors: Gao Ke , Yorimitsu Hideki , Osuka Atsuhiro
Published: July 2016

The arylation reactions are efficient at low loadings of the palladium‐NHC complex (down to 0.5 mol%).
ChemInform Abstract: Open‐Air Oxidative Mizoroki—Heck Reaction of Arylsulfonyl Hydrazides with Alkenes.
Authors: Yuen On Ying , So Chau Ming , Kwong Fuk Yee
Published: July 2016

The novel oxidative Mizoroki—Heck reaction of arylsulfonyl hydrazides with alkenes proceeds under open‐air using an air‐ and moisture‐stable pyridine ligand and palladium(II) catalyst.
ChemInform Abstract: Copper‐Catalyzed N‐Arylation of Tautomerizable Heterocycles with Boronic Acids and its Application to Synthesis of Oxygenated Carbazoles.
Authors: Kumar Karampoori Anil , Kannaboina Prakash , Jaladanki Chaitanya K. , Bharatam Prasad V. , Das Parthasarathi
Published: July 2016

The selective N‐arylation of heterocycles with a series of arylboronic acids under base free conditions at ambient atmosphere is presented.
ChemInform Abstract: Enantiodivergent Brucine Diol‐Catalyzed 1,3‐Dipolar Cycloaddition of Azomethine Ylides with α,β‐Unsaturated Ketones.
Authors: Li Jian‐Yuan , Kim Hun Young , Oh Kyungsoo
Published: July 2016

Enantiodivergent catalyst systems including brucine diol as chiral component are developed to allow the 1,3‐dipolar cycloaddition of azomethine ylides with chalcone derivatives to give tetrasubstituted pyrrolidines highly stereoselectively.
ChemInform Abstract: Br2‐Catalyzed Regioselective Dehydrative Coupling of Indoles with Acyloins: Direct Synthesis of α‐(3‐Indolyl) Ketones.
Authors: Liang Deqiang , Li Xiangguang , Li Yanni , Yang Yungang , Gao Shulin , Cheng Ping
Published: July 2016

In this reaction Br2 serves as a Lewis acid.
ChemInform Abstract: Synthesis of 2,1‐Benzisoxazole‐3(1H)‐ones by Base‐Mediated Photochemical N—O Bond‐Forming Cyclization of 2‐Azidobenzoic Acids.
Authors: Dzhons Daria Yu. , Budruev Andrei V.
Published: July 2016

Photocyclization of o‐azidocarboxylic acids of type (I) offers a convenient access to 2,1‐benzisoxazolones.
ChemInform Abstract: An Environment‐Friendly Synthesis of 2,3‐Disubstituted‐2‐iminothiazoline‐4‐ones
Authors: Meng Ge , Zheng Meilin , Dong Mengshu , Wang Mei , Zheng Aqun , Guo Zengjun
Published: July 2016

[starting from aromatic or aliphatic substituted iminothiazolines by an improved method including an auto‐catalyzed reaction.]
ChemInform Abstract: Influence of A1,3 Strain on the Stereochemical Outcome of Acid‐Mediated Amido Cyclization in the Synthesis of 2‐(4‐Methoxyphenyl)‐3,4‐(dihydroxy)piperidines.
Authors: Ramakrishna Katakam , Jagadeesh Yerri , Ramakrishna K. V. S. , Rao Joshi Laxmikanth , Rao Batchu Venkateswara
Published: July 2016

A straightforward synthesis of the title compounds is reported based on an acid‐mediated amido cyclization reaction as the key step.
ChemInform Abstract: Stereoselectivity of 6‐Exo Cyclization of α‐Carbamoyl Radicals.
Authors: Song Liyan , Fang Xinqiang , Wang Zijia , Liu Kun , Li Chaozhong
Published: July 2016

The BEt3/O2‐initiated iodine‐atom‐transfer radical cyclization reactions of substituted N‐(but‐3‐en‐1‐yl)‐N‐(tert‐butyl)‐2‐iodoalkanamides furnishes predominantly 3,4‐cis, 4,5‐trans, or 4,6‐trans substituted δ‐lactams.
ChemInform Abstract: Palladium‐Catalyzed Ligand‐Promoted Site‐Selective Cyanomethylation of Unactivated C(sp3)—H Bonds with Acetonitrile.
Authors: Liu Yongbing , Yang Ke , Ge Haibo
Published: July 2016

The title cyanomethylation of aliphatic amides is assisted by a bidentate directing group N‐quinoline.
ChemInform Abstract: Organocatalytically Generated Donor—Acceptor Cyclopropanes in Domino Reactions. One‐Step Enantioselective Synthesis of Pyrrolo[1,2‐a]quinolines.
Authors: Sanchez‐Diez Eduardo , Vesga Diana L. , Reyes Efraim , Uria Uxue , Carrillo Luisa , Vicario Jose L.
Published: July 2016

o‐Aminobenzaldehydes react with cyclopropaneacetaldehydes under conditions A) in a one‐pot domino process to produce dihydroquinolines with good to excellent e.e.
ChemInform Abstract: An Unexpected Pyrimidine Ring Transformations in the Reaction of 4‐Aryl‐5‐nitro‐6‐bromomethylpyrimidin‐2(1H)‐ones with Anilines.
Authors: Remennikov Grigoriy Ya , Gavryushin Andrey , Polborn Kurt
Published: July 2016

The reaction of dihydropyrimidinone derivatives with anilines depending on the conditions leads to products of a ring contraction of the pyrimidinone ring into an imidazolone, as well as to the formation of dihydroisoxazolopyrimidinone derivatives, and in some cases to aminopyrimidinone.
ChemInform Abstract: Enantioselective Synthesis of Spirobarbiturate‐Cyclohexenes Through Phosphine‐Catalyzed Asymmetric [4 + 2] Annulation of Barbiturate‐Derived Alkenes with Allenoates.
Authors: Guo Hongchao , et al.
Published: July 2016

The method renders possible the access to various pharmaceutically important title compounds with complete diastereoselectivity and high enantioselectivity.
ChemInform Abstract: The Facile Synthesis of 1‐Benzoazepine Derivatives via Gold‐Catalyzed Regioselective Cycloisomerization Reactions of N‐(o‐Alkynylaryl)‐N‐vinyl Sulfonamides.
Authors: Undeela Sridhar , Ravikumar Gurram , Nanubolu Jagadeesh Babu , Singarapu Kiran Kumar , Menon Rajeev S.
Published: July 2016

The title compounds are prepared by 7‐endo‐dig‐selective cycloisomerization of (alkynylphenyl)vinylsulfonamides in excellent yields.
ChemInform Abstract: Copper‐Catalyzed Cross‐Coupling Reactions of Epoxides with gem‐Diborylmethane: Access to γ‐Hydroxyl Boronic Esters.
Authors: Ebrahim‐Alkhalil Ahmed , Zhang Zhen‐Qi , Gong Tian‐Jun , Su Wei , Lu Xiao‐Yu , Xiao Bin , Fu Yao
Published: July 2016

The method can also be extended to N‐sulfonyl aziridine.
ChemInform Abstract: Synthesis of (.+‐.)‐Serralongamine A and the Revised Structure of Huperzine N.
Authors: Saborit Gisela V. , Bosch Caroline , Parella Teodor , Bradshaw Ben , Bonjoch Josep
Published: July 2016

Phlegmarine alkaloid serralongamine A (I) is prepared for the first time and transformed into huperzine N (II) allowing for a revision of it′s putative structure.
ChemInform Abstract: Total Synthesis and Structural Reassignment of Aspergillomarasmine A.
Authors: Liao Daohong , Yang Shaoqiang , Wang Jianyu , Zhang Jian , Hong Benke , Wu Fan , Lei Xiaoguang
Published: July 2016

Synthesis of compounds (I) and (II) identifies (I) as Aspergillomarasmine A instead of the previously proposed structure (II).
ChemInform Abstract: Surface and Interface Issues in Spinel LiNi0.5Mn1.5O4: Insights into a Potential Cathode Material for High Energy Density Lithium Ion Batteries
Authors: Ma Jun , Hu Pu , Cui Guanglei , Chen Liquan
Published: July 2016

Review: 227 refs.
ChemInform Abstract: Conjugate Addition—Enantioselective Protonation Reactions
Authors: Phelan James P , Ellman Jonathan A
Published: July 2016

Review: [77 refs.
ChemInform Abstract: Strategies for Construction of the All‐Carbon Macrocyclic Skeleton of the Ansamycin Antibiotic‐Kendomycin
Authors: Xu Shu , Arimoto Hirokazu
Published: July 2016

Review: 38 refs.
ChemInform Abstract: Synthetic Organic Electrochemistry: An Enabling and Innately Sustainable Method
Authors: Horn Evan J. , Rosen Brandon R. , Baran Phil S.
Published: July 2016

Review: 75 refs.
ChemInform Abstract: Isocyanide‐Based Multicomponent Reactions in the Synthesis of Heterocycles
Authors: Sadjadi Samahe , Heravi Majid M. , Nazari Niousha
Published: July 2016

Review: 280 refs.
ChemInform Abstract: Cyclodextrins as Protective Agents of Protein Aggregation: An Overview
Authors: Oliveri Valentina , Vecchio Graziella
Published: July 2016

Review: 72 refs.
ChemInform Abstract: Atom‐Economic Dehydrogenative Amide Synthesis via Ruthenium Catalysis
Authors: Chen Cheng , Verpoort Francis , Wu Qiongyou
Published: July 2016

Review: recent developments; 54 refs.
ChemInform Abstract: Redox Control in Olefin Polymerization and Copolymerization
Authors: Chen Min , Yang Bangpei , Chen Changle
Published: July 2016

Review: [23 refs.
ChemInform Abstract: Electrical Control of Magnetism in Oxides
Authors: Song Cheng , Cui Bin , Peng Jingjing , Mao Haijun , Pan Feng
Published: July 2016

Review: 156 refs
ChemInform Abstract: Applications of Hierarchically Structured Porous Materials from Energy Storage and Conversion, Catalysis, Photocatalysis, Adsorption, Separation, and Sensing to Biomedicine
Authors: Sun Ming‐Hui , Huang Shao‐Zhuan , Chen Li‐Hua , Li Yu , Yang Xiao‐Yu , Yuan Zhong‐Yong , Su Bao‐Lian
Published: July 2016

Review: 584 refs.
ChemInform Abstract: The Functionalization of Fluoroelastomers: Approaches, Properties, and Applications
Authors: Wang Yu , Bai Yongping
Published: July 2016

Review: 202 refs.
ChemInform Abstract: Nitrogen‐Proton Correlation Experiments of Organic Solids at Natural Isotopic Abundance
Authors: Brown Steven P.
Published: July 2016

Review: 42 refs.
Discovery of HIV Type 1 Aspartic Protease Hit Compounds through Combined Computational Approaches
Authors: Xanthopoulos Dimitrios , Kritsi Eftichia , Supuran Claudiu T. , Papadopoulos Manthos G. , Leonis Georgios , Zoumpoulakis Panagiotis
Published: July 2016

A combination of computational techniques and inhibition assay experiments was employed to identify hit compounds from commercial libraries with enhanced inhibitory potency against HIV type 1 aspartic protease (HIV PR). Extensive virtual screening with the aid of reliable pharmacophore models yielded five candidate protease inhibitors. Subsequent molecular dynamics and molecular mechanics Poisson–Boltzmann surface area free‐energy calculations for the five ligand–HIV PR complexes suggested a high stability of the systems through hydrogen‐bond interactions between the ligands and the protease's flaps (Ile50/50′), as well as interactions with residues of the active site (Asp25/25′/29/29′/30/30′). Binding‐energy calculations for the three most promising compounds yielded values between −5 and −10 kcal mol−1and suggested that van der Waals interactions contribute most favorably to the total energy. The predicted binding‐energy values were verified by in vitro inhibition assays, which showed promising results in the high nanomolar range. These results provide structural considerations that may guide further hit‐to‐lead optimization toward improved anti‐HIV drugs.
Accuracy of the Magnetic Field Gradient Waveform Monitor Technique and Consequent Accuracy of Pre‐Equalized Gradient Waveform
Authors: Goora Frédéric G. , Balcom Bruce J.
Published: July 2016

The magnetic field gradient waveform monitor (MFGM) technique permits characterization of the temporal evolution of magnetic field gradients in magnetic resonance (MR) instruments (MRIs). Knowledge of the gradient waveform performance permits the development of further techniques, such as gradient waveform pre‐equalization, that correct and optimize gradient waveform distortions due to eddy currents induced during the application of switched magnetic fields and other system limitations. The accuracy of the MFGM technique is important since the overall uncertainty of the gradient waveform measurement will propagate into an uncertainty in corrected gradient waveforms impacting the precision of the resulting MR/MRI measurements. The accuracy of MFGM is investigated through a treatment of the noise present in a MRI. A noisy receiver model provides the basis for characterization of the noise and permits examination of the overall impact of noise on the phase accumulated in a pure‐phase encoded MR signal. Ultimately, a relationship between the signal‐to‐noise ratio of a measurement and the corresponding MFGM uncertainty is developed. The theoretical development is supported through simulation in conjunction with experimental results. The propagation of uncertainties to gradient waveform pre‐equalization is also discussed.
Reverse transcription–polymerase chain reaction molecular testing of cytology specimens: Pre‐analytic and analytic factors
Authors: Bridge Julia A.
Published: July 2016

The introduction of molecular testing into cytopathology laboratory practice has expanded the types of samples considered feasible for identifying genetic alterations that play an essential role in cancer diagnosis and treatment. Reverse transcription–polymerase chain reaction (RT‐PCR), a sensitive and specific technical approach for amplifying a defined segment of RNA after it has been reverse‐transcribed into its DNA complement, is commonly used in clinical practice for the identification of recurrent or tumor‐specific fusion gene events. Real‐time RT‐PCR (quantitative RT‐PCR), a technical variation, also permits the quantitation of products generated during each cycle of the polymerase chain reaction process. This review addresses qualitative and quantitative pre‐analytic and analytic considerations of RT‐PCR as they relate to various cytologic specimens. An understanding of these aspects of genetic testing is central to attaining optimal results in the face of the challenges that cytology specimens may present. Cancer Cytopathol 2017;125:11‐19. © 2016 American Cancer Society.
A front‐end receiver with a dual cross‐coupling technique for MICS applications
Authors: Gong Cihun‐Siyong Alex , Chang Chia‐Hung , Shiu Feng‐Lin , Chiou Hwann‐Kaeo , Hwang Yih‐Shiou
Published: July 2016

This paper presents a front‐end receiver with a dual cross‐couple technique for Medical Implant Communication ServicesM applications, using a standard complementary metal‐oxide semiconductor process. A lower‐power design is achieved using a resistive feedback, gm‐boosting technique along with a current reuse topology in the receiver's transconductance stage. In addition, a dual cross‐coupling configuration applied at the input stage increases overall gain performance and reduces power consumption. The measured power dissipation of the low‐noise amplifier is only 0.51 mW. The conversion gain of the receiver is 19.74 dB, while the radio frequency and local oscillator frequencies are respectively 403.5 and 393.5 MHz, and the LO power is 0 dBm. The chip exhibits excellent isolation below −70 dB from LO to intermediate frequency and LO to radio frequency. Copyright © 2016 John Wiley & Sons, Ltd.
Evaluation of the Amount of the Manganese Entry in the Neurons for Activity‐Induced Manganese‐Enhanced MRI
Authors: KIKUTA SATOMI , YANAGAWA YUCHIO , HOMMA NORIYASU , OSANAI MAKOTO
Published: July 2016

The activity‐induced manganese‐enhanced MRI (AIM‐MRI) is one of the candidate methods for measuring the neuronal activity noninvasively in vivo. This method has the potential to measure the history of the neuronal activity, since the Mn2+ can enter the active neuron through voltage‐dependent Ca2+ channels. However, the relation between the neuronal activity and the accumulation of Mn2+ in the cell has not been clear. At first, we confirmed that the longitudinal relaxation time of H+ (T1) measured by means of MRI apparatus was related to the [Mn2+] using the pseudo intracellular phantoms with various concentrations of Mn2+. The inverse of T1 (1/T1) was proportional to [Mn2+], thus [Mn2+] can be measured by MRI quantitatively. Next, we investigated the relation between the neuronal activity and the accumulation of Mn2+ in the striatal GABAergic neurons using the method of the Mn2+ quenching of Fura‐2 LR, a family of Fura fluorescent Ca2+ indicators. The amount of the Ca2+ influx was correlated to the neuronal activity evoked by tetanic stimulations with various frequencies. In the same slice preparation, the amounts of the fluorescence quench induced by the tetanic stimulations under the condition of 50 μM MnCl2 administration were recorded. As a result, the amount of the quench was proportional to the amount of the Ca2+ influx. These results suggested that a cell, which has higher activity, accumulated larger amount of Mn2+ in the neuron. Thus, our results supported that AIM‐MRI can measure the history of the neuronal activities in the whole brain noninvasively in vivo.
Bridgehead Bicyclo[4.4.0]boron Heterocycles: A One‐Pot Four‐Component Synthesis of Dibenzo[e,i][1,3,7,2]oxadiazaborecin‐8(7H)‐ones
Authors: Adib Mehdi , Shabanibalajadeh Sadegh , Sheikhi Ehsan , Rahimi‐Nasrabadi Mehdi , Zhu Long‐Guan
Published: July 2016

A one‐pot four‐component synthesis of 6‐aryl‐6H‐dibenzo[e,i][1,3,7,2]oxadiazaborecin‐8(7H)‐ones is described. Heating a mixture of isatoic anhydride and a benzylamine afforded the corresponding anthranilamide derivative, which was condensed with a 2‐hydroxybenzaldehyde and an arylboronic acid under solvent‐free conditions to produce bridgehead bicyclo[4.4.0]‐boron heterocycles in good to excellent yields. Single‐crystal X‐ray analysis conclusively confirms the structures of the obtained bridgehead bicyclic 6–6 heterocyclic compounds.
New Catalytic Method for the Synthesis of β‐Hydroxy Selenides
Authors: Zhang Yikun , Wu Sixue , Yan Jie
Published: July 2016

In the presence of NH4I as catalyst and m‐chloroperbenzoic acid as oxidant, the Se–Se bond cleavage of diselenides undergoes smoothly. The in situ generated reactive electrophilic Se species reacts with alkenes quickly, and a series of β‐hydroxy selenides are prepared in good yields. This new catalytic method for synthesis of β‐hydroxy selenides is a stereospecific anti addition, which occurs with a Markovnikov orientation.
Clinical platform for understanding the relationship between joint contact mechanics and articular cartilage changes after meniscal surgery
Authors: Maher Suzanne A. , Wang Hongsheng , Koff Matthew F. , Belkin Nicole , Potter Hollis G. , Rodeo Scott A.
Published: July 2016

Injury to the meniscus of the knee has been implicated as a significant risk factor for the subsequent development of osteoarthritis, but the mechanisms of joint degeneration are unclear. Our objective was to develop a clinically applicable methodology to evaluate the relationship of joint contact mechanics at the time of surgery to biological changes of articular cartilage as a function of time following surgery. A series of pre‐, intra‐, and post‐operative protocols were developed which utilized electronic sensors for the direct measurement of contact mechanics, and advanced imaging to assess cartilage health. The tests were applied to a pilot cohort of young active patients undergoing meniscus allograft transplantation. Our study demonstrated significant variability across patients in terms of contact area and peak contact stress, both before and after transplantation. Nonetheless, the majority of patients exhibited decreased peak contact stress and increased contact area after graft implantation. MR scans at 3–6 months showed decreased T1ρ values in tibial articular cartilage, suggesting an increase in proteoglycan content or concomitant decrease in water content. Prolongation of T2 values was found primarily within the central, cartilage–cartilage contact region of the tibial plateau suggested disruption of the collagen network. Minimal differences were found in cartilage thickness over the short time frame of this preliminary study. With longer clinical follow‐up, our platform of clinical tests can be used to better understand the patient‐specific mechanical factors that are related to increased risk of OA after meniscus injury and surgery. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:600–611, 2017.
Safety and postoperative adverse events in pediatric airway reconstruction: Analysis of ACS‐NSQIP‐P 30‐day outcomes
Authors: Roxbury Christopher R. , Jatana Kris R. , Shah Rahul K. , Boss Emily F.
Published: July 2016

Objectives

Prior research has shown that airway reconstructive procedures comprise significant composite morbidity compared to the whole of pediatric otolaryngologic cases evaluated in the American College of Surgeon's National Surgery Quality Improvement Program‐Pediatric (ACS‐NSQIP‐P) platform. We describe postoperative sequelae of pediatric airway reconstructive procedures and identify predictive factors for adverse events.

Methods

Current procedural terminology (CPT) codes were used to identify children undergoing included procedures in the 2012 to 2014 ACS‐NSQIP‐P public use files (PUF). Targeted variables included patient demographics and 30‐day postoperative events (reoperation, readmission, and complications). Event rates were determined and compared within subgroups. Multivariate logistic regression was performed to identify predictive factors for major adverse events.

Results

In 3 years of PUF data (183,283 total cases), 198 cases (0.11%) were airway reconstructive procedures. The most common was laryngoplasty (CPT 31580, 31582; n = 111, 56.1%), followed by cervical tracheoplasty (CPT 31750; n = 47, 23.7%), tracheal resection (CPT 31780; n = 24, 12.1%), and cricoid split (CPT 31587, n = 16, 8.1%). There were 131 premature children (66.2%) and 94 children (47.5%) with history of bronchopulmonary dysplasia. Thirty‐day postoperative sequelae included readmissions (n = 42, 21.2%), complications (n = 27, 13.6%), and reoperations (n = 14, 7.1%). On univariate analysis, children less than 3 years of age were more likely to undergo an unplanned reoperation. There were no significant predictive factors for readmission or complication. On multivariate analysis, there was a trend toward higher rates of unplanned reoperations in children less than 3 years of age.

Conclusion

The 30‐day adverse event rate in pediatric airway surgery is high, with no identifiable predictors noted in the analysis of these data. Findings imply that systematic collection of variables and outcomes specific to pediatric airway surgery, in addition to standard NSQIP workflow, will be essential for NSQIP‐P to truly effect quality improvement in these high‐risk procedures.

Level of Evidence

4. Laryngoscope, 2016 127:504–508, 2017
Intermediates in the cleavage of endoperoxides
Authors: Bauch Marcel , Klaper Matthias , Linker Torsten
Published: July 2016

The decomposition of anthracene endoperoxides has been investigated under various conditions. Thermolyses proceed via radical intermediates and afford anthracenes and rearrangement products, depending on the substitution pattern. Interestingly, not only the O–O but also the C–O bond can be cleaved homolytically. Under basic conditions fragmentations take place, affording anthraquinone, and reactive oxygen species. This mechanism explains the often observed decomposition of endoperoxides during work‐up. Finally, an acid‐catalyzed cleavage has been observed under release of hydrogen peroxide. The results should be interesting for the mechanistic understanding of peroxide decomposition and the endoperoxides might serve as mild sources of reactive oxygen species for future applications. Copyright © 2016 John Wiley & Sons, Ltd.
Effects of trans‐2‐hexenal on reproduction, growth and behaviour and efficacy against the pinewood nematode, Bursaphelenchus xylophilus
Authors: Cheng Le , Xu Shuangyu , Xu Chunmei , Lu Hongbao , Zhang Zhengqun , Zhang Daxia , Mu Wei , Liu Feng
Published: July 2016

BACKGROUND

Bursaphelenchus xylophilus is a serious quarantined pest that causes severe damage and major economic losses to pine forests. Because of the adverse effects of some traditional nematicides on humans and the environment, the search for new plant toxicants against these nematodes has intensified. Nematicidal activity of trans‐2‐hexenal, which is a six‐carbon aldehyde present in many plants, was tested against the nematode.

RESULTS

trans‐2‐Hexenal showed significant efficacy against B. xylophilus in a dose range of 349.5–699 g m−3 by fumigation of pinewood logs. Additionally, it had significant nematicidal activity against different life stages of B. xylophilus in an in vitro test, with second‐stage larvae (L2s) being the most sensitive, with an LC50 value of 9.87 µg mL−1 at 48 h. Egg hatch was also significantly inhibited. Further studies revealed that trans‐2‐hexenal inhibited the reproductive activity of B. xylophilus, with negative effects on reproduction rate and egg numbers. Moreover, trans‐2‐hexenal reduced the body length of B. xylophilus. Respiratory rate and thrashing behaviour of B. xylophilus also decreased following treatment with this compound.

CONCLUSION

trans‐2‐Hexenal had significant nematicidal activity against B. xylophilus, providing a basis for elucidation of the mode of action of trans‐2‐hexenal against plant‐parasitic nematodes in future studies. © 2016 Society of Chemical Industry
Lagrangian Jacobian Motion Planning: A Parametric Approach
Authors: Góral Ida , Tchoń Krzysztof
Published: July 2016

This paper addresses the motion planning problem of nonholonomic robotic systems. The system’s kinematics are described by a driftless control system with output. It is assumed that the control functions are represented in a parametric form, as truncated orthogonal series. A new motion planning algorithm is proposed based on the solution of a Lagrange-type optimisation problem stated in the linear approximation of the parametrised system. Performance of the algorithm is illustrated by numeric computations for a motion planning problem of the rolling ball.
HERALDRY AND THE ARCHITECTURAL IMAGINATION: JOHN CARTER’S VISUALISATION OFTHE CASTLE OF OTRANTO
Authors: Lindfield Peter
Published: July 2016

Horace Walpole (1717–97) is well known for two important Gothic projects: his villa, Strawberry Hill, Twickenham (1747/8–80), and his novel,The Castle of Otranto(1764). These two manifestations of Walpole’s ‘Gothic imagination’ are frequently linked in critical literature on the Gothic Revival and medievalism more broadly; the relationship between Strawberry Hill,Otrantoand manuscript illustrations visualisingOtranto’s narrative has, on the other hand, received far less attention. This paper brings together a number of important and hitherto overlooked sources that help address this imbalance. In particular, it examines two large-scale watercolours by John Carter (1748–1817) that narrate some ofOtranto’s pivotal scenes, allowing critically overlooked subtleties in their iconographies to emerge. The work establishes how Carter’s pre-existing interests – in particular, in Gothic architectural forms and heraldry – are harnessed to govern his representations ofOtranto. These paintings, together with Carter’s other illustrations, demonstrate Walpole’s authorship ofOtranto, expressed through codes hidden in plain sight. Unlike the frequently touted link between Strawberry Hill andOtrantoin secondary criticism, Carter’s illustrations, the argument reveals, do not explicitly make this connection.
The Poetics of Pilgrimage: Assembling Contemporary Indonesian Pilgrimage to Ḥaḍramawt, Yemen
Authors: Alatas Ismail Fajrie
Published: July 2016

This article investigates the socio-discursive processes that have enabled the emergence and maintenance of pilgrimage practice by examining the rising popularity of the Ḥaḍramawt valley of southern Yemen as a pilgrimage destination for Indonesian Muslims. Pilgrimage to Ḥaḍramawt mainly revolves around visiting the tombs of Bā ʿAlawī (a group of Ḥaḍramīs who claim direct descent from the Prophet Muḥammad) Sufi saints and scholars scattered around the valley. Moving away from ritual analysis, I examine the roles of various actors involved in the production and consumption of pilgrimage. I analyze pilgrimage as a poetic project that frames travel as a transformative process. As a project, pilgrimage can be described as poetic because it hinges on the construction of multiple chronotopes that are juxtaposed, compared, contrasted, and assembled into meaningful alignments. The actors discussed are involved in producing chronotopes of Ḥaḍramawt as a spiritually idealized place, which are made to resonate with mass-mediated chronotopes of idealized Islam circulating among Indonesian Muslims, and contrasted with chronotopes of the modern world. Framed by such a poetic mediation, pilgrims comprehend their actual travel to Ḥaḍramawt as a cross-chronotopic movement that they believe transforms their own selves. The article observes the various mechanisms of attraction and seduction at work in pilgrimage practice, while demonstrating the structural similarities between pilgrimage and other forms of tourism.
BANYULS genes from Brassica juncea and Brassica nigra: cloning, evolution and involvement in seed coat colour
Authors: LIU L. L. , HUANG T. , DING S. P. , WANG Y. , YAN M. L.
Published: July 2016

The molecular mechanism underlying the yellow seed trait has been a subject of quality breeding in Brassica. Thus, uncovering the biosynthetic pathway of proanthocyanidin (PA) accumulation in the Brassica seed coat is a promising research programme. Arabidopsis thaliana BANYULS (BAN) encodes anthocyanidin reductase, which is involved in seed coat pigmentation. In the current study, 2 and 4 BAN homologues were isolated using one pair of primers from Brassica nigra and Brassica juncea, respectively. Reverse transcription polymerase chain reaction (PCR) analysis showed that BAN was expressed abundantly in the seed coat of black seeds and in the embryos of all lines, but not in the seed coat of yellow seeds. Primers incorporating B genome-specific nucleotide variations were designed according to previously published BAN gene sequences of Brassica species to discern the BAN sequence located in B genome origin of Brassica using allele-specific PCR amplification. Proanthocyanidins were also detected by p-dimethylaminocinnamaldehyde staining and a butanol–hydrochloric acid (BuOH–HCl) colorimetric assay in the seed coat of black seeds, but not in the seed coat of yellow seeds. Anthocyanins were not also detected in the seed coat of Brassica species by the BuOH–HCl assay. Both transcriptional and chemical analyses suggested that BAN genes could be involved in both the biosynthesis of PAs and colour formation in the seed coat of Brassica species, whereas no expression of the BAN gene could block biosynthesis of PAs in the yellow seed coat.
Eyeworm infections ofOxyspirura petrowi, Skrjabin, 1929 (Spirurida: Thelaziidae), in species of quail from Texas, New Mexico and Arizona, USA
Authors: Dunham N.R. , Kendall R.J.
Published: July 2016

Northern bobwhite (Colinus virginianus) and Scaled quail (Callipepla squamata) have been declining steadily throughout much of their historical range over the past few decades. Even the Rolling Plains of Texas, historically rich with wild quail and one of the last remaining quail strongholds, has been suffering a population decline, most notably since 2010. Gambel's quail (Callipepla gambelii) have also been experiencing their own decline throughout their respective range, but not as significant as that of other species of quail. Eyeworms (Oxyspirura petrowi) in quail have been recognized for years but not thoroughly studied until recently. New research reveals thatO. petrowiinfection can cause inflammation, oedema, and cellular damage to the eye of the quail host. The objective of this research was to better understand the prevalence of the eyeworm infection in different quail species, expand on known distribution, and determine if there is a relationship between location and species infected with eyeworms. Northern bobwhite, Scaled quail and Gambel's quail were hunter-donated from one county within Texas, New Mexico and Arizona, and examined for the prevalence, mean abundance and mean intensity of eyeworm infection from November 2013 to February 2014. Quail from every location were found to have individuals with a varying degree of eyeworm infection. This is the first study to document eyeworm infection in Gambel's quail and in quail in New Mexico and Arizona, and reports the highest eyeworm infection found in Northern bobwhite and Scaled quail.