bluuebunny/crossref_metadata_2025 huggingface dataset:
A Redox‐Switchable Germylene and its Ligating Properties in Selected Transition Metal Complexes
Authors: Walz Florian , Moos Eric , Garnier Delphine , Köppe Ralf , Anson Christopher E. , Breher Frank
Published: November 2016

The synthesis, structure, and full characterization of a redox‐switchable germylene based on a [3]ferrocenophane ligand arrangement, [Fc(NMes)2Ge] (4), is presented. The mesityl (Mes)‐substituted title compound is readily available from Fc(NHMes)2 (2) and Ge{N(SiMe3)2}2, or from the dilithiated, highly air‐ and moisture‐sensitive compound Fc(NLiMes)2⋅3 Et2O (3) and GeCl2. Cyclic voltammetry studies are provided for 4, confirming the above‐mentioned view of a redox‐switchable germylene metalloligand. Although several 1:1 RhI and IrI complexes of 4 (5–7) are cleanly formed in solution, all attempts to isolate them in pure form failed due to stability problems. However, crystalline solids of [Mo(κ1Ge‐4)2(CO)4] (8) and [W(κ1Ge‐4)2(CO)4] (9) were isolated and fully characterized by common spectroscopic techniques (8 by X‐ray diffraction). DFT calculations were performed on a series of model compounds to elucidate a conceivable interplay between the metal atoms in neutral and cationic bimetallic complexes of the type [Rh(κ1E‐qE)(CO)2Cl]0/+ (qE=[Fc(NPh)2E] with E=C, Si, Ge). The bonding characteristics of the coordinated Fc‐based metalloligands (qE/qE+) are strongly affected upon in silico oxidation of the calculated complexes. The calculated Tolman electronic parameter (TEP) significantly increases by approximately 20 cm−1 (E=C) to 25 cm−1 (E=Si, Ge) upon oxidation. The change in the ligand‐donating abilities upon oxidation can mainly be attributed to Coulombic effects, whereas an orbital‐based interaction appears to have only a minor influence.
ChemInform Abstract: Assessment of the U3O7 Crystal Structure by X‐Ray and Electron Diffraction.
Authors: Leinders Gregory , Delville Remi , Pakarinen Janne , Cardinaels Thomas , Binnemans Koen , Verwerft Marc
Published: November 2016

The crystal structure of U3O7 obtained by oxidation of UO2 powder is investigated by powder XRD and SAED on single crystal grains.
ChemInform Abstract: Superhard Mixed Transition Metal Dodecaborides.
Authors: Akopov Georgiy , Yeung Michael T. , Sobell Zachary C. , Turner Christopher L. , Lin Cheng‐Wei , Kaner Richard B.
Published: November 2016

The solid solutions Zr1‐xYxB12, Zr1‐xScxB12, and Y1‐xScxB12 (x = 0—1) as well as ScB50 and YB66 are prepared by arc‐melting of the elements in ratios of 1:20 for the dodecaborides and 1:65 and 1:70 for the latter two binary phases.
ChemInform Abstract: A2VO(SO4)2 (A: Li, Na) as Electrodes for Li‐Ion and Na‐Ion Batteries.
Authors: Sun Meiling , Rousse Gwenaelle , Saubanere Matthieu , Doublet Marie‐Liesse , Dalla Corte Daniel , Tarascon Jean‐Marie
Published: November 2016

In view of increasing the energy density of battery systems for e.g. electric vehicles by lowering the dead weight penalty associated with the heavy polyanions replacing oxygen in traditional electrode materials, the title phases are prepared by ball milling of dehydrated α‐VOSO4 and A2SO4 in stoichiometric proportions followed by annealing under Ar (400—415 °C, 12 h).
ChemInform Abstract: Synthesis of a Ferrolite: A Zeolitic All‐Iron Framework.
Authors: Latshaw Allison M. , Chance W. Michael , Morrison Gregory , zur Loye Karl D. , Wilkins Branford O. , Smith Mark D. , Whitfield Pamela S. , Kirkham Melanie J. , Stoian Sebastian A. , zur Loye Hans‐Conrad
Published: November 2016

Single crystals of Ba8(Fe12O24)Nay (OH)6·xH2O are grown by the hydroflux method from equimolar amounts of Fe(NO3)3, Ba(OH)2, NaOH, and H2O (autoclave, 230 °C, 24 h; cooling to 80 °C at a rate of 0.3 °C/min; ≈100% yield).
ChemInform Abstract: High‐Pressure Synthesis and Ferrimagnetic Ordering of the B‐Site‐Ordered Cubic Perovskite Pb2FeOsO6.
Authors: Long Youwen , et al.
Published: November 2016

The title compound is prepared by solid state reaction from mixtures of PbO, PbO2, Fe2O3, and OsO3 in the ratio of 3:1:1:2 (Pt capsule, 8 GPa, 1673 K, 30 min).
ChemInform Abstract: Rhodium(I)‐Catalyzed Diastereoselective Cycloisomerization of Enynes with Tethered (S)‐2‐Methyl‐2‐propanesulfinyl Imine.
Authors: Oonishi Yoshihiro , Hato Yoshio , Sato Yoshihiro
Published: November 2016

Title imines such as (I), (V), and (VII) react in the presence of chiral Rh(I) catalysts [cf.
ChemInform Abstract: Desymmetrization of Acid Anhydride with Asymmetric Esterification Catalyzed by Chiral Phosphoric Acid.
Authors: Yamada Ken‐ichi , Oonishi Akinori , Kuroda Yusuke , Harada Shingo , Kiyama Hiroki , Yamaoka Yousuke , Takasu Kiyosei
Published: November 2016

Using 2,2‐diphenylethanol or diphenylmethanol as the nucleophile various σ‐symmetric carboxylic acid anhydrides are transformed in high yields and with high enantioselectivity into the corresponding half‐esters.
ChemInform Abstract: Decarboxylative/Sonogashira‐Type Cross‐Coupling Using PdCl2(Cy*Phine)2.
Authors: Yang Yong , Lim Yee Hwee , Robins Edward G. , Johannes Charles W.
Published: November 2016

The PCYP‐catalyzed decarboxylative cross‐coupling of chlorides (I), (IV), and (VIII) with 3‐substituted propiolic acids (II) gives rise to unsymmetrically disubstituted alkynes (III), (V), and (IX) in high yields.
ChemInform Abstract: Fluorodecarboxylation for the Synthesis of Trifluoromethyl Aryl Ethers.
Authors: Zhang Qing‐Wei , Brusoe Andrew T. , Mascitti Vincent , Hesp Kevin D. , Blakemore David C. , Kohrt Jeffrey T. , Hartwig John F.
Published: November 2016

The synthesis of mono‐, di‐, and trifluoromethyl aryl ethers by a newly developed fluorodecarboxylation method is reported.
ChemInform Abstract: Facile One‐Pot Synthesis of Unsymmetrical Ureas, Carbamates, and Thiocarbamates from Cbz‐Protected Amines.
Authors: Kim Hee‐Kwon , Lee Anna
Published: November 2016

A mild method for the in‐situ‐generation of isocyanates from various Cbz‐protected aryl or alkyl amines is described which further react with a broad range of functionalized amines, alcohols or thiols to form the title products in generally high yield.
ChemInform Abstract: Rhodium(I)‐Catalyzed Benzannulation of Heteroaryl Propargylic Esters: Synthesis of Indoles and Related Heterocycles.
Authors: Li Xiaoxun , Xie Haibo , Fu Xiaoning , Liu Ji‐tian , Wang Hao‐yuan , Xi Bao‐min , Liu Peng , Xu Xiufang , Tang Weiping
Published: November 2016

A diverse range of indoles, benzofurans, benzothiophenes, carbazoles, and dibenzofurans is efficiently prepared which may contain functional groups prone to further derivatization.
ChemInform Abstract: Gold(I)‐Catalyzed N‐Desulfonylative Amination versus N‐to‐O 1,5‐Sulfonyl Migration: A Versatile Approach to 1‐Azabicycloalkanes.
Authors: Miaskiewicz Solene , Gaillard Boris , Kern Nicolas , Weibel Jean‐Marc , Pale Patrick , Blanc Aurelien
Published: November 2016

Various N‐sulfonyl protected 1‐azetidine‐2‐alkyn‐1‐ones are transformed in a gold(I)‐catalyzed N‐desulfonylation in the presence of an external O‐nucleophile to deliver 1‐azabicyclo[3.2.0]heptenes in high yields.
ChemInform Abstract: Synthesis, Crystal Structure, and Biological Activity of Novel Anthranilic Diamide Insecticide Containing Propargyl Ether Group.
Authors: Huang Zhiqiang , Tong Jun , Zhou Sha , Xiong Lixia , Wang Hongxue , Zhao Yu
Published: November 2016

Most products exhibit moderate to high insecticidal activities.
ChemInform Abstract: A One‐Pot Synthesis of N‐Aryl‐2‐oxazolidinones and Cyclic Urethanes by the Lewis Base Catalyzed Fixation of Carbon Dioxide into Anilines and Bromoalkanes.
Authors: Niemi Teemu , Perea‐Buceta Jesus E. , Fernandez Israel , Hiltunen Otto‐Matti , Salo Vili , Rautiainen Sari , Raeisaenen Minna T. , Repo Timo
Published: November 2016

The single‐operation method offers access to five‐, six‐ and even elusive seven‐membered cyclic urethanes in moderate to high yields.
ChemInform Abstract: Synthesis of α‐Sulfenyl Monoketones via a Metal‐Free Oxidative Cross Dehydrogenative Coupling (CDC) Reaction.
Authors: Varun Begur Vasanthkumar , Gadde Karthik , Prabhu Kandikere Ramaiah
Published: November 2016

A metal‐free, convenient one‐step strategy is presented proceeding at ambient temperature via a cross‐dehydrogenative coupling of benzoxazole‐thiones or bis(benzothiazoyl)disulfides.
ChemInform Abstract: Synthesis of Novel 1,2,3‐Triazole/Isoxazole‐Functionalized Imidazo[4,5‐b]pyridin‐2(3H)‐one Derivatives, Their Antimicrobial and Anticancer Activity.
Authors: Banda Veeraswamy , Gautham Santhosh Kumar , Pillalamarri Sambasiva Rao , Chavva Kurumurthy , Banda Narsaiah
Published: November 2016

The title compounds show no significant antimicrobial or anticancer activities.
ChemInform Abstract: The Amide C—N Bond of Isatins as the Directing Group and the Internal Oxidant in Ru‐Catalyzed C—H Activation and Annulation Reactions: Access to 8‐Amido Isocoumarins.
Authors: Kaishap Partha Pratim , Sarma Bipul , Gogoi Sanjib
Published: November 2016

A broad spectrum of target compounds is available following the 3‐component protocol shown (mechanism).
ChemInform Abstract: Synthesis of 3‐Iodoquinolines by Copper‐Catalyzed Tandem Annulation from Diaryliodoniums, Nitriles, and 1‐Iodoalkynes.
Authors: Wang Xuesong , Wang Xingyong , Huang Dayun , Liu Chulong , Wang Xinyan , Hu Yuefei
Published: November 2016

The method allows the synthesis of various substituted target compounds.
ChemInform Abstract: Silver Salt Catalyzed Synthesis of 1,4‐Oxathian‐3‐imine Derivatives.
Authors: Samzadeh‐Kermani Alireza
Published: November 2016

In situ generated silveracetylide is employed as a nucleophile in the reaction with epoxides and isothiocyanates.
ChemInform Abstract: Ionic Liquid‐Promoted Multicomponent Synthesis of Fused Tetrazolo[1,5‐a]pyrimidines as α‐Glucosidase Inhibitors.
Authors: Suresh Lingala , Onkara P. , Kumar P. Sagar Vijay , Pydisetty Y. , Chandramouli G. V. P.
Published: November 2016

Among the synthesized compounds (IV), compounds (IVb) and (IVc) are found to be active showing comparable inhibitory potency with acarbose.
ChemInform Abstract: Cooperative N‐Heterocyclic Carbene/Palladium‐Catalyzed Enantioselective Umpolung Annulations.
Authors: Guo Chang , Fleige Mirco , Janssen‐Mueller Daniel , Daniliuc Constantin G. , Glorius Frank
Published: November 2016

The regioselective title reaction between vinyl benzoxazinanones and aryl, alkenyl or alkyl substituted enals delivers benzazepine derivatives in high yields, with high diastereo‐ and excellent enantioselectivities.
ChemInform Abstract: Highly Selective Phosphinylphosphination of Alkenes with Tetraphenyldiphosphine Monoxide.
Authors: Sato Yuki , Kawaguchi Shin‐ichi , Nomoto Akihiro , Ogawa Akiya
Published: November 2016

Contrary to tetraphenyldiphosphine, which does not add to C—C double bonds efficiently, tetraphenyldiphosphine monoxide (II) can engage in a radical addition to various alkenes and even alkynes.
ChemInform Abstract: Enhanced Hydrogen Storage Properties of LiBH4 Generated Using a Porous Li3BO3 Catalyst.
Authors: Ma Yufei , Li Yuan , Liu Ting , Zhao Xin , Zhang Lu , Han Shumin , Wang Yijing
Published: November 2016

Li3BO3 is prepared by ball milling of an equimolar mixture of LiH and LiBO2 followed by vacuum heating of the pelletized material (600 °C, 2 h).
ChemInform Abstract: Supramolecular Metallogels with Bulk Self‐Healing Properties Prepared by in situ Metal Complexation
Authors: Haering Marleen , Diaz Diaz David
Published: November 2016

Review: 130 refs.
ChemInform Abstract: Fluorous Organometallic Chemistry
Authors: Hope Eric G. , Simayi Rena , Stuart Alison M.
Published: November 2016

Review: synthesis, characterization and application of organometallic complexes functinalized with fluorous substituents; 140 refs.
ChemInform Abstract: Self‐assembly of Metal‐organic Coordination Structures on Surfaces
Authors: Dong Lei , Gao Zi'Ang , Lin Nian
Published: November 2016

Review: 240 refs.
ChemInform Abstract: Hydroxo‐Bridged Copper(II) Cubane Complexes
Authors: Ardizzoia G. Attilio , Brenna Stefano
Published: November 2016

Review: structural characterization, syntheses and magnetic behavior; 111 refs.
ChemInform Abstract: Nitrogen‐Functionalized Isohexides in Asymmetric Induction
Authors: Janvier Marine , Moebs‐Sanchez Sylvie , Popowycz Florence
Published: November 2016

Review: synthesis of nitrogen‐containing isohexides and their applications in asymmetrc catalysis; 92 refs.
ChemInform Abstract: Silicon‐Containing Amino Acids: Synthetic Aspects, Conformational Studies, and Applications to Bioactive Peptides
Authors: Remond Emmanuelle , Martin Charlotte , Martinez Jean , Cavelier Florine
Published: November 2016

Review: 135 refs.
ChemInform Abstract: Organometallic‐Peptide Bioconjugates: Synthetic Strategies and Medicinal Applications
Authors: Albada Bauke , Metzler‐Nolte Nils
Published: November 2016

Review: 307 refs.
ChemInform Abstract: MCM‐41‐Anchored Sulfonic Acid (MCM‐41‐SO3H): An Efficient Heterogeneous Catalyst for Green Organic Synthesis
Authors: Vekariya Rajesh H. , Prajapati Neelam P. , Patel Hitesh D.
Published: November 2016

Review: 125 refs.
ChemInform Abstract: Applying Green Processes and Techniques to Simplify Reaction Work‐Ups
Authors: Andrade Carlos Kleber Z. , Dar Abdul Rouf
Published: November 2016

Review: [110 refs.
ChemInform Abstract: Prodrugs of Phosphonates and Phosphates: Crossing the Membrane Barrier
Authors: Wiemer Andrew J. , Wiemer David F.
Published: November 2016

Review: 233 refs.
ChemInform Abstract: High Temperature Electrical Energy Storage: Advances, Challenges, and Frontiers
Authors: Lin Xinrong , Salari Maryam , Reddy Arava Leela Mohana , Ajayan Pulickel M. , Grinstaff Mark W.
Published: November 2016

Review: 247 refs.
ChemInform Abstract: Electrochemical Capacitors: Mechanism, Materials, Systems, Characterization and Applications
Authors: Wang Yonggang , Song Yanfang , Xia Yongyao
Published: November 2016

Review: 178 refs.
ChemInform Abstract: Zeolite and Zeotype‐Catalyzed Transformations of Biofuranic Compounds
Authors: Li Hu , Yang Song , Riisager Anders , Pandey Ashok , Sangwan Rajender S. , Saravanamurugan Shunmugavel , Luque Rafael
Published: November 2016

Review: 325 refs.
ChemInform Abstract: Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications
Authors: Suleimanov Yury V. , Aoiz F. Javier , Guo Hua
Published: November 2016

Review: 109 refs.
Adsorption of benzene, toluene, and xylene (BTX) from binary aqueous solutions using commercial organoclay
Authors: Stofela Sara Karoline Figueiredo , de Andrade Júlia Resende , Vieira Melissa Gurgel Adeodato
Published: November 2016

Organoclays are promising alternative adsorbents for the removal of organic pollutants. The aromatic hydrocarbons benzene, toluene, and xylene (BTX) are typical petroleum contaminants found simultaneously in natural leaking. Therefore, investigations on multi‐component adsorption become essential to study this issue. Based on that, in the present study, a commercial organoclay from Brazil has been tested for its adsorption potential for binary aqueous mixtures of BTX. Kinetic and equilibrium batch adsorption experiments were performed to elucidate the differences in the affinities between the BTX contaminants and the organoclay. The kinetic study indicated that for benzene‐toluene, benzene‐xylene, and toluene‐xylene systems the contaminants preferentially adsorbed were toluene, p‐xylene, and p‐xylene (in the beginning of the assays), respectively. The affinity for the organoclay might be related to physicochemical properties of BTX. In the adsorption equilibrium studies, the obtained BTX isotherms were all linear, characterized by constant adsorption affinities. The observed differences between BTX adsorption capacities at equilibrium for mono and bi‐component systems confirmed the competition for adsorption sites of the organoclay.
A velocity tracking approach for the data assimilation problem in blood flow simulations
Authors: Tiago J. , Guerra T. , Sequeira A.
Published: November 2016

Several advances have been made in data assimilation techniques applied to blood flow modeling. Typically, idealized boundary conditions, only verified in straight parts of the vessel, are assumed. We present a general approach, on the basis of a Dirichlet boundary control problem, that may potentially be used in different parts of the arterial system. The relevance of this method appears when computational reconstructions of the 3D domains, prone to be considered sufficiently extended, are either not possible, or desirable, because of computational costs. On the basis of taking a fully unknown velocity profile as the control, the approach uses a discretize then optimize methodology to solve the control problem numerically. The methodology is applied to a realistic 3D geometry representing a brain aneurysm. The results show that this data assimilation approach may be preferable to a pressure control strategy and that it can significantly improve the accuracy associated to typical solutions obtained using idealized velocity profiles.
A Family of Amphiphilic Cyclodextrin Liquid Crystals Governed by Dipole–Dipole Interactions
Authors: Champagne Pier‐Luc , Ester David , Ward Sandra , Williams Vance E. , Ling Chang‐Chun
Published: November 2016

A novel family of amphiphilic cyclodextrin(CD)‐based liquid crystals that bear O‐acetylated oligoethylene glycol chains at the secondary face is reported. Unlike most of the previously reported liquid crystals (LC) based on chemically modified CDs, which depend on H‐bonding as the primary intermolecular forces, the present CD derivatives self‐assemble into highly ordered smectic liquid crystal phases via the weaker dipole–dipole intermolecular interactions. The obtained materials are found to display much improved properties such as improved thermostability, reduced clearing temperatures, and better fluidity. The present work opens up new possibilities to design CD‐based LC materials.
Antibiotic effects against periodontal bacteria in organ cultured tissue
Authors: Takeshita Masaaki , Haraguchi Akira , Miura Mayumi , Hamachi Takafumi , Fukuda Takao , Sanui Terukazu , Takano Aiko , Nishimura Fusanori
Published: November 2016

Mechanical reduction of infectious bacteria by using physical instruments is considered the principal therapeutic strategy for periodontal disease; addition of antibiotics is adjunctive. However, local antibiotic treatment, combined with conventional mechanical debridement, has recently been shown to be more effective in periodontitis subjects with type 2 diabetes. This suggests that some bacteria may invade the inflamed inner gingival epithelium, and mechanical debridement alone will be unable to reduce these bacteria completely. Therefore, we tried to establish infected organ culture models that mimic the inner gingival epithelium and aimed to see the effects of antibiotics in these established models. Mouse dorsal skin epithelia were isolated, and periodontal bacteria were injected into the epithelia. Infected epithelia were incubated with test antibiotics, and colony‐forming ability was evaluated. Results indicated that effective antibiotics differed according to injected bacteria and the bacterial combinations tested. Overall, in organ culture model, the combination of amoxicillin or cefdinir and metronidazole compensate for the effects of less effective bacterial combinations on each other. This in vitro study would suggest effective periodontal treatment regimens, especially for severe periodontitis.
Persistent Hydrogen Production by the Photo‐Assisted Microbial Electrolysis Cell Using a p‐Type Polyaniline Nanofiber Cathode
Authors: Jeon Yongwon , Kim Sunghyun
Published: November 2016

A microbial electrolysis cell, though considered as a promising, environmentally friendly technology for hydrogen production, suffers from concomitant production of methane. The high hydrogen/methane ratio at the initial operation stage decreases with time. Here we report for the first time the photoassisted microbial electrolysis cell (MEC) for persistent hydrogen production using polyaniline nanofibers as a cathode. Under 0.8 V external bias and laboratory fluorescent light illumination in a single‐chamber MEC, continuous hydrogen production from acetate at a rate of 1.78 m
3 m−3 d−1 with 79.2 % overall hydrogen recovery was achieved with negligible methane formation for six months. Energy efficiencies based on input electricity as well as input electricity plus substrate were 182 and 66.2 %, respectively. This was attributed to the p‐type‐semiconductor characteristics of polyaniline nanofibers in which photoexcited electrons are used to reduce protons at the surface and holes are reduced with electrons originating from acetate oxidation at the anode. This method can be extended to microbial wastewater treatment for hydrogen production.
An In‐Depth Understanding of Biomass Recalcitrance Using Natural Poplar Variants as the Feedstock
Authors: Meng Xianzhi , Pu Yunqiao , Yoo Chang Geun , Li Mi , Bali Garima , Park Doh‐Yeon , Gjersing Erica , Davis Mark F. , Muchero Wellington , Tuskan Gerald A. , Tschaplinski Timothy J. , Ragauskas Arthur J.
Published: November 2016

In an effort to better understand the biomass recalcitrance, six natural poplar variants were selected as feedstocks based on previous sugar release analysis. Compositional analysis and physicochemical characterizations of these poplars were performed and the correlations between these physicochemical properties and enzymatic hydrolysis yield were investigated. Gel permeation chromatography (GPC) and 13C  solid state NMR were used to determine the degree of polymerization (DP) and crystallinity index (CrI) of cellulose, and the results along with the sugar release study indicated that cellulose DP likely played a more important role in enzymatic hydrolysis. Simons’ stain revealed that the accessible surface area of substrate significantly varied among these variants from 17.3 to 33.2 mg g
as reflected by dye adsorption, and cellulose accessibility was shown as one of the major factors governing substrates digestibility. HSQC and 31P NMR analysis detailed the structural features of poplar lignin variants. Overall, cellulose relevant factors appeared to have a stronger correlation with glucose release, if any, than lignin structural features. Lignin structural features, such as a phenolic hydroxyl group and the ratio of syringyl and guaiacyl (S/G), were found to have a more convincing impact on xylose release. Low lignin content, low cellulose DP, and high cellulose accessibility generally favor enzymatic hydrolysis; however, recalcitrance cannot be simply judged on any single substrate factor.
Microporous Organic Polymers Based on Hyper‐Crosslinked Coal Tar: Preparation and Application for Gas Adsorption
Authors: Gao Hui , Ding Lei , Bai Hua , Li Lei
Published: November 2016

Hyper‐crosslinked polymers (HCPs) are promising materials for gas capture and storage, but high cost and complicated preparation limit their practical application. In this paper, a new type of HCPs (CTHPs) was synthesized through a one‐step mild Friedel–Crafts reaction with low‐cost coal tar as the starting material. Chloroform was utilized as both solvent and crosslinker to generate a three‐dimensional crosslinked network with abundant micropores. The maximum BET surface area of the prepared CTHPs could reach up to 929 m2 g−1. Owing to the high affinity between the heteroatoms on the coal‐tar building blocks and the CO2 molecules, the adsorption capacity of CTHPs towards CO2 reached up to 14.2 wt % (1.0 bar, 273 K) with a high selectivity (CO2/N2=32.3). Furthermore, the obtained CTHPs could adsorb 1.27 wt % H2 at 1.0 bar and 77.3 K, and also showed capacity for the capture of high organic vapors at room temperature. In comparison with other reported porous organic polymers, CTHPs have the advantages of low‐cost, easy preparation, and high gas‐adsorption performance, making them suitable for mass production and practical use in the future.
Fast Track to Molar‐Mass Distributions of Technical Lignins
Authors: Sulaeva Irina , Zinovyev Grigory , Plankeele Jean‐Michel , Sumerskii Ivan , Rosenau Thomas , Potthast Antje
Published: November 2016

Technical lignins (waste products obtained from wood pulping or biorefinery processes) have so far required lengthy analysis procedures and different eluents for molar‐mass analysis by gel permeation chromatography (GPC). This challenge has become more pressing recently since attempts to utilize lignins have increased, leading to skyrocketing numbers of samples to be analyzed. A new approach, which uses the eluent DMSO/LiBr (0.5 % w/v) and converts lignosulfonate salts into their acidic form before analysis, overcomes these limitations by enabling measurement of all kinds of lignins (kraft, organosolv, soda, lignosulfonates) in the same size‐exclusion chromatography (SEC) system without the necessity of prior time‐consuming derivatization steps. In combination with ultra‐performance liquid chromatography (UPLC), analysis times are shortened to one tenth of classical lignin GPC. The new approach is presented, along with a comparison of GPC and UPLC methods and a critical discussion of the analytical parameters.
Full range analog Wheatstone bridge‐based automatic circuit for differential capacitance sensor evaluation
Authors: Ferri G. , Stornelli V. , Parente F. R. , Barile G.
Published: November 2016

In this paper, an integrable novel fully analog Wheatstone bridge‐based interface for differential capacitance estimation is presented. Its working principle takes advantage of the modified De‐Sauty AC bridge configuration being employed only by two capacitors and two resistors. A feedback loop controls one of the resistors (e.g. a voltage‐controlled resistor), to obtain an evaluation of the differential capacitance variation on a full range, thanks to a general but very simple formula that considers both the ‘auto‐balancing’ and the bridge ‘out‐of‐equilibrium’ ranges. The proposed interface shows a satisfactory accuracy, being the percentage relative error within 0.45% for the experimental results. Copyright © 2016 John Wiley & Sons, Ltd.
Single variable expressions for the efficiency of a reciprocal power transfer system
Authors: Minnaert Ben , Stevens Nobby
Published: November 2016

The analytical expressions for the efficiency of a reciprocal power transfer system as a function of multiple parameters, that is, the elements of its impedance matrix, already exist. In this work, closed expressions for this efficiency as a function of a single parameter, that is, the extended kQ factor, are derived. This is done for three representative configurations: (i) maximum efficiency; (ii) maximum power transfer; and (iii) conjugate image set‐up. The derived formulas are useful for the design and optimization of different types of power transfer systems. Copyright © 2016 John Wiley & Sons, Ltd.
Negative pressure wound therapy inhibits inflammation and upregulates activating transcription factor‐3 and downregulates nuclear factor‐κB in diabetic patients with foot ulcerations
Authors: Wang T. , He R. , Zhao J. , Mei J.C. , Shao M.Z. , Pan Y. , Zhang J. , Wu H.S. , Yu M. , Yan W.C. , Liu L.M. , Liu F. , Jia W.P.
Published: November 2016

Background

Negative pressure wound therapy (NPWT) is one of the most important treatments for diabetic foot, but the underlying mechanisms of its benefits still remain elusive. This study aims to evaluate the inflammatory signals involved in the effects of negative pressure therapy on diabetic foot ulcers.

Methods

We enrolled 22 patients with diabetic foot ulceration, 11 treated with NPWT and the other 11 treated with traditional debridement. All patients were treated and observed for 1 week. Granulation tissues were harvested and analyzed in both groups, and then were histologically and immunohistochemically analyzed. Enzyme‐linked immunosorbent assay, Western blot analysis, and real‐time PCR were performed to evaluate the expression of interleukin‐6 (IL‐6), tumor necrosis factor α (TNF‐α), inducible nitric oxide synthase (iNOS), nuclear factor‐κB (NF‐κB) p65, IkB‐α, and activating transcription factor‐3 (ATF‐3).

Results

After 7 days of treatment, NPWT could obviously promote diabetic wound healing because of the mild inflammation and the dense cell‐deposited matrix. Meanwhile, NPWT significantly decreased the expression of TNF‐α, IL‐6, and iNOS (all P < .05). The result of Western blotting and real‐time PCR indicated that NPWT obviously decreased the level of IkB‐α and NF‐κB p65, and increased the level of ATF‐3 (all P < .05).

Conclusion

NPWT exerts an anti‐inflammatory effect, possibly through the suppression of proinflammatory enzymes and cytokines resulting from IkB‐α inhibition and ATF‐3 activation, which may prevent the activation of the NF‐κB pathway in human diabetic foot wounds.
Oxytocin mediated behavior in invertebrates: An evolutionary perspective
Authors: Lockard Meghan A. , Ebert Margaret S. , Bargmann Cornelia I.
Published: November 2016

The molecular and functional conservation of oxytocin‐related neuropeptides in behavior is striking. In animals separated by at least 600 million years of evolution, from roundworms to humans, oxytocin homologs play critical roles in the modulation of reproductive behavior and other biological functions. Here, we review the roles of oxytocin in invertebrate behavior from an evolutionary perspective. We begin by tracing the evolution of oxytocin through the invertebrate animal lineages, and then describe common themes in invertebrate behaviors that are mediated by oxytocin‐related peptides, including reproductive behavior, learning and memory, food arousal, and predator/prey relationships. Finally, we discuss interesting future directions that have recently become experimentally tractable. Studying oxytocin in invertebrates offers precise insights into the activity of neuropeptides on well‐defined neural circuits; the principles that emerge may also be represented in the more complex vertebrate brain. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 128–142, 2017
Co‐occurrence patterns in a diverse arboreal ant community are explained more by competition than habitat requirements
Authors: Camarota Flávio , Powell Scott , S. Melo Adriano , Priest Galen , J. Marquis Robert , L. Vasconcelos Heraldo
Published: November 2016

A major goal of community ecology is to identify the patterns of species associations and the processes that shape them. Arboreal ants are extremely diverse and abundant, making them an interesting and valuable group for tackling this issue. Numerous studies have used observational data of species co‐occurrence patterns to infer underlying assembly processes, but the complexity of these communities has resulted in few solid conclusions. This study takes advantage of an observational dataset that is unusually well‐structured with respect to habitat attributes (tree species, tree sizes, and vegetation structure), to disentangle different factors influencing community organization. In particular, this study assesses the potential role of interspecific competition and habitat selection on the distribution patterns of an arboreal ant community by incorporating habitat attributes into the co‐occurrence analyses. These findings are then contrasted against species traits, to explore functional explanations for the identified community patterns. We ran a suite of null models, first accounting only for the species incidence in the community and later incorporating habitat attributes in the null models. We performed analyses with all the species in the community and then with only the most common species using both a matrix‐level approach and a pairwise‐level approach. The co‐occurrence patterns did not differ from randomness in the matrix‐level approach accounting for all ant species in the community. However, a segregated pattern was detected for the most common ant species. Moreover, with the pairwise approach, we found a significant number of negative and positive pairs of species associations. Most of the segregated associations appear to be explained by competitive interactions between species, not habitat affiliations. This was supported by comparisons of species traits for significantly associated pairs. These results suggest that competition is the most important influence on the distribution patterns of arboreal ants within the focal community. Habitat attributes, in contrast, showed no significant influence on the matrix‐wide results and affected only a few associations. In addition, the segregated pairs shared more biological characteristic in common than the aggregated and random ones.
Low abundant soil bacteria can be metabolically versatile and fast growing
Authors: Kurm Viola , van der Putten Wim H. , de Boer Wietse , Naus‐Wiezer Suzanne , Hol W. H. Gera
Published: November 2016

The abundance of species is assumed to depend on their life history traits, such as growth rate and resource specialization. However, this assumption has not been tested for bacteria. Here we investigate how abundance of soil bacteria relates to slow growth and substrate specialization (oligotrophy) vs. fast growth and substrate generalization (copiotrophy). We collected 47 saprotrophic soil bacterial isolates of differing abundances and measured their growth rate and the ability to use a variety of single carbon sources. Opposite to our expectation, there was no relationship between abundance in soil and the measured growth rate or substrate utilization profile (SUP). However, isolates with lower growth rates used fewer substrates than faster growing ones supporting the assumption that growth rate may relate to substrate specialization. Interestingly, growth rate and SUP were correlated with phylogeny, rather than with abundance in soil. Most markedly, Gammaproteobacteria on average grew significantly faster and were able to use more substrates than other bacterial classes, whereas Alphaproteobacteria were growing relatively slowly and used fewer substrates. This finding suggests that growth and substrate utilization are phylogenetically deeply conserved. We conclude that growth rate and substrate utilization of soil bacteria are not general determinants of their abundance. Future studies on explaining bacterial abundance need to determine how other factors, such as competition, predation and abiotic factors may contribute to rarity or abundance in soil bacteria.
Lactate at the crossroads of metabolism, inflammation, and autoimmunity
Authors: Pucino Valentina , Bombardieri Michele , Pitzalis Costantino , Mauro Claudio
Published: November 2016

For a long time after its discovery at the beginning of the 20th century, lactate was considered a waste product of cellular metabolism. Starting in the early ‘90s, however, lactate has begun to be recognized as an active molecule capable of modulating the immune response. Inflammatory sites, including in rheumatoid arthritis (RA) synovitis, are characterized by the accumulation of lactate, which is partly responsible for the establishment of an acidic environment. We have recently reported that T cells sense lactate via the expression of specific transporters, leading to inhibition of their motility. Importantly, this “stop migration signal” is dependent upon lactate's interference with intracellular metabolic pathways, specifically glycolysis. Furthermore, lactate promotes the switch of CD4+ T cells to an IL‐17+ subset, and reduces the cytolytic capacity of CD8+ T cells. These phenomena might be responsible for the formation of ectopic lymphoid structures and autoantibody production in inflammatory sites such as in RA synovitis, Sjogren syndrome salivary glands, and multiple sclerosis plaques. Here, we review the roles of lactate in the modulation of the inflammatory immune response.
Electron Paramagnetic Resonance as a Tool for Studying the Mechanisms of Paramagnetic Anticancer Metallodrugs
Authors: Prosser Kathleen E. , Walsby Charles J.
Published: November 2016

Electron paramagnetic resonance spectroscopy (EPR) is an invaluable method for characterizing ligand environments and oxidation states of paramagnetic metal complexes. In this review we describe applications of this technique to understanding the often complicated mechanisms of metal‐based anticancer compounds. EPR has been instrumental in unravelling this in many instances, providing insight into conformations upon dissolution, aqueous ligand exchange, pH effects, and redox processes. EPR studies have also characterized the protein and DNA interactions of metal‐based chemotherapeutics, enabling discrimination of different binding modes. EPR can also be used to probe the behaviour of metallodrugs with whole cells, revealing interactions with cellular components and redox stability. Together, these studies provide important information on aspects of anticancer activity and demonstrate the scope and potential of EPR to contribute to the ongoing development of metal‐based anticancer complexes.
In Vitro Photodynamic Studies of a BODIPY‐Based Photosensitizer
Authors: Kim Bosung , Sui Binglin , Yue Xiling , Tang Simon , Tichy Michael G. , Belfield Kevin D.
Published: November 2016

A new halogenated 4,4‐difluoro‐4‐bora‐3a,4a‐diaza‐s‐indacene (BODIPY) derivative was designed as a singlet‐oxygen photosensitizer (PS) for use as a photodynamic therapy (PDT) agent, and its photophysical properties were characterized. The PS, having two iodine atom substituents, exhibited a low fluorescence quantum yield (ΦFL) of 0.02 and high singlet‐oxygen‐generation quantum yield (ΦΔ) of 0.93. Furthermore, in vitro photodynamic activities were evaluated to assess the potential of using the PS for PDT. A propidium iodide (PI) fluorescence assay and live‐cell imaging of Lewis lung carcinoma (LLC) cells demonstrated that the cellular damage is induced by the photosensitization of the BODIPY dye, which subsequently leads to cell death by necrosis.q
Primary sources and toxicity of PAHs in Milwaukee-area streambed sediment
Authors: Baldwin Austin K. , Corsi Steven R. , Lutz Michelle A. , Ingersoll Christopher G. , Dorman Rebecca , Magruder Christopher , Magruder Matthew
Published: November 2016

High concentrations of polycyclic aromatic hydrocarbons (PAHs) in streams can be a significant stressor to aquatic organisms. To understand the likely sources and toxicity of PAHs in Milwaukee-area streams, streambed sediment samples from 40 sites and parking lot dust samples from 6 sites were analyzed for 38 parent PAHs and 25 alkylated PAHs. Diagnostic ratios, profile correlations, principal components analysis, source-receptor modeling, and mass fractions analysis were used to identify potential PAH sources to streambed sediment samples, and land-use analysis was used to relate streambed sediment PAH concentrations to different urban-related land uses. On the basis of this multiple lines-of-evidence approach, coal-tar pavement sealant was indicated as the primary source of PAHs in a majority of streambed sediment samples, contributing an estimated 77% of total PAHs to samples, on average. Comparison with the probable effect concentrations and (or) the equilibrium partitioning sediment benchmark indicates that 78% of stream sediment samples are likely to cause adverse effects to benthic organisms. Laboratory toxicity tests on a 16-sample subset of the streambed sites using the amphipod Hyalella azteca (28-d) and the midge Chironomus dilutus (10-d) measured significant reductions in 1 or more biological endpoints, including survival, in 75% of samples, with H. azteca more responsive than C. dilutus. Environ Toxicol Chem 2017;36:1622–1635. © 2016 The Authors. Environmental Toxicology and Chemistry Published by Wiley Periodicals, Inc. on behalf of SETAC.
Mobile base station with conformational selections for the network maintenance in wireless multihop infrastructure
Authors: Teng Rui , Li Huan‐Bang , Miura Ryu
Published: November 2016

Wireless multihop infrastructure (WMI) networks can provide essential support for information exchange and the Internet access, particularly during emergencies and in smart cities. However, limited network resources during emergencies may result in node energy depletion and network disconnection, leading to service failures to users in the WMI network. This paper aims to use mobile base stations (MBSs) to automatically form paths and spontaneously maintain network availability as a connected infrastructure. The problems to deal with are the limited information and resources for MBS to quickly construct efficient connections in a WMI network. We propose a bio‐inspired approach, which enables MBS to interact with the network based on insights from conformational selections in enzyme‐substrate binding. In analogy to selective binding of enzyme‐substrates, the proposed MBS approach uses selective pauses based on the traffic status of selective packet forwarding at appropriate positions, at which MBS is capable of sustaining WMI connectivity. The proposed MBS approach reduces energy consumption of base stations that have energy constraints and heavy traffic to handle, and it improves WMI network availability. Evaluation using packet‐level simulation reveals that the proposed MBS approach achieves up to 40% improvement for the availability of network as a full connected infrastructure.
Investigation of the profile of phenolic compounds in the leaves and stems of Pandiaka heudelotii using gas chromatography coupled with flame ionization detector
Authors: Ifeanacho Mercy O. , Ikewuchi Catherine C. , Ikewuchi Jude C.
Published: November 2016

The profile of phenolic compounds in the leaves and stems of Pandiaka heudelotii was investigated using gas chromatography coupled with flame ionization detector. The leaves and stems had high flavonoids and benzoic acid derivatives content, and moderate levels of lignans and hydroxycinnamates. Twenty‐eight known flavonoids were detected, which consisted mainly of kaempferol (41.93% in leaves and 47.97% in stems), (+)‐catechin (17.12% in leaves and 16.11% in stems), quercetin (13.83% in leaves and 9.39% in stems), luteolin (7.34% in leaves and 7.71% in stems), and artemetin (6.53% in leaves and 4.83% in stems). Of the six known hydroxycinnamates detected, chlorogenic acid (80.79% in leaves and 87.56% in stems) and caffeic acid (18.98% in leaves and 12.30% in stems) were the most abundant, while arctigenin (77.81% in leaves and 83.40% in stems) and retusin (13.82% in leaves and 10.59% in stems) were the most abundant of the nine known lignans detected. Twelve known benzoic acid derivatives were detected, consisting mainly of ellagic acid (65.44% in leaves and 72.89% in stems), p‐hydroxybenzoic acid (25.10% in leaves and 18.95% in stems), and vanillic acid (8.80% in leaves and 7.30% in stems). The rich phytochemical profile of the leaves and stems is an indication of their ability to serve as sources of nutraceuticals.
Fault Diagnosis of Practical Polymer Electrolyte Membrane (PEM) Fuel Cell System with Data‐driven Approaches
Authors: Mao L. , Jackson L. , Dunnett S.
Published: November 2016

In this paper, data‐driven approaches are applied to identify faults of a practical polymer electrolyte membrane (PEM) fuel cell system. Signal processing approaches are selected and employed to multiple sensor measurements, including methodologies reducing the dimension of the original dataset, and techniques extracting features. Both supervised and unsupervised techniques are applied in this study to investigate the robustness of the diagnostic procedure. Moreover, due to the fact that a series of features can be extracted from these sensors, the singular value decomposition (SVD) technique is applied to select features providing better diagnostic performance. Results demonstrate that with features selected from SVD, fuel cell system faults can be detected more effectively, and various fuel cell faults can also be discriminated with good quality. From the findings, conclusions are made and further work is suggested.
Review of high‐risk features of cutaneous squamous cell carcinoma and discrepancies between the American Joint Committee on Cancer and NCCN Clinical Practice Guidelines In Oncology
Authors: Skulsky Samuel Lamarre , O'Sullivan Barry , McArdle Orla , Leader Mary , Roche Muireann , Conlon Peter J. , O'Neill James Paul
Published: November 2016

Cutaneous squamous cell carcinoma (SCC) is a malignancy that arises from epidermal keratinocytes. Although the majority of cutaneous SCC cases are easily treated without further complication, some behave more aggressively and carry a poor prognosis. These “high‐risk” cutaneous SCCs commonly originate in the head and neck and have an increased tendency toward recurrence, local invasion, and distant metastasis. Factors for high‐risk cutaneous SCC include large size (>2 cm), a deeply invasive lesion (>2 mm), incomplete excision, high‐grade/desmoplastic lesions, perineural invasion (PNI), lymphovascular invasion, immunosuppression, and high‐risk anatomic locations. Both the National Comprehensive Cancer Network®(NCCN®) and the American Joint Committee on Cancer (AJCC) identify several of these high‐risk features of cutaneous SCC. The purpose of this article was to review the high‐risk features included in these guidelines, as well as their notable discrepancies and omissions. We also provide a brief overview of current prophylactic measures, surgical options, and adjuvant therapies for high‐risk cutaneous SCC. © 2016 Wiley Periodicals, Inc.Head Neck39: 578–594, 2017
Groundwater recharge in an arid grassland as indicated by soil chloride profile and multiple tracers
Authors: Huang Tianming , Pang Zhonghe , Liu Jilai , Yin Lihe , Edmunds W. Mike
Published: November 2016

Previous studies have shown that shallow groundwater in arid regions is often not in equilibrium with near‐surface boundary conditions due to human activities and climate change. This is especially the case where the unsaturated zone is thick and recharge rate is limited. Under this nonequilibrium condition, the unsaturated zone solute profile plays an important role in estimating recent diffuse recharge in arid environments. This paper combines evaluation of the thick unsaturated zone with the saturated zone to investigate the groundwater recharge of a grassland in the arid western Ordos Basin, NW China, using the soil chloride profiles and multiple tracers (2H,18O,13C,14C, and water chemistry) of groundwater. Whereas conventional water balance and Darcy flux measurements usually involve large errors in recharge estimations for arid areas, chloride mass balance has been widely and generally successfully used. The results show that the present diffuse recharge beneath the grassland is 0.11–0.32 mm/year, based on the chloride mass balance of seven soil profiles. The chloride accumulation age is approximately 2,500 years at a depth of 13 m in the unsaturated zone. The average Cl content in soil moisture in the upper 13 m of the unsaturated zone ranges from 2,842 to 7,856 mg/L, whereas the shallow groundwater Cl content ranges from 95 to 351 mg/L. The corrected14C age of shallow groundwater ranges from 4,327 to 29,708 years. Stable isotopes show that the shallow groundwater is unrelated to modern precipitation. The shallow groundwater was recharged during the cold and wet phases of the Late Pleistocene and Holocene humid phase based on palaeoclimate, and consequently, the groundwater resources are nonrenewable. Due to the limited recharge rate and thick unsaturated zone, the present shallow groundwater has not been in hydraulic equilibrium with near‐surface boundary conditions in the past 2,500 years.