bluuebunny/crossref_metadata_2025 huggingface dataset:
The Role of Higher Lying Electronic States in Charge Photogeneration in Organic Solar Cells
Authors: Grancini Giulia , Binda Maddalena , Neutzner Stefanie , Criante Luigino , Sala Vittorio , Tagliaferri Alberto , Lanzani Guglielmo
Published: October 2015

The role of excess photon energy on charge generation efficiency in bulk heterojunction solar cells is still an open issue for the organic photovoltaic community. Here, the spectral dependence of the internal quantum efficiency (IQE) for a poly[2,6‐(4,4‐bis‐(2‐ethylhexyl)‐4H‐cyclopenta[2,1‐b;3,4‐b]­dithiophene)‐alt‐4,7‐(2,1,3‐benzothiadiazole)]:6,6‐phenyl‐C61‐butyric acid methyl ester (PCPDTBT:PC60BM)‐based solar cell is derived combining accurate optoelectronic characterization and comprehensive optical modeling. This joint approach is shown to be essential to get reliable values of the IQE. Photons with energy higher than the bandgap of the donor material can effectively contribute to enhance the IQE of the solar cell. This holds true independently of the device architecture, reflecting an intrinsic property of the active material. Moreover, the nanomorphology of the bulk heterojunction plays a crucial role in determining the IQE spectral dependence: the coarser and more crystalline, the lesser the gain in IQE upon high energy excitation.
Preaxial polydactyly associated with a MSX1 mutation and report of two novel mutations
Authors: Wattanarat Onnida , Kantaputra Piranit Nik
Published: October 2015

We report two novel heterozygous missense MSX1 mutations in two Thai families (c.739C>T; p.Pro247Ser and c.607G>A; p.Ala203Thr). The p.Ala203Thr mutation was found in a female patient, her sister, and their father and is associated with unilateral cleft lip and palate, hypodontia, and microdontia. The p.Pro247Ser mutation was found in a three‐generation Thai family and was associated with bilateral cleft lip and palate, hypodontia, microdontia, and dens invaginatus. The proband also had preaxial polydactyly of the left hand. The role of Msx1 in limb development in mice is discussed. Intrafamilial variability of the phenotypes is clearly evident. This is the first time that a limb anomaly has been reported to be associated with a mutation in MSX1. © 2015 Wiley Periodicals, Inc.
Palladium‐Catalyzed Regioselective Diarylation of o‐Carboranes By Direct Cage B−H Activation
Authors: Quan Yangjian , Xie Zuowei
Published: October 2015

Palladium‐catalyzed intermolecular coupling of o‐carborane with aromatics by direct cage B−H bond activation has been achieved, leading to the synthesis of a series of cage B(4,5)‐diarylated‐o‐carboranes in high yields with excellent regioselectivity. Traceless directing group ‐COOH plays a crucial role for site‐ and di‐selectivity of such intermolecular coupling reaction. A PdII–PdIV–PdII catalytic cycle is proposed to be responsible for the stepwise arylation.
Asymmetric Dearomatization of β‐Naphthols through a Bifunctional‐Thiourea‐Catalyzed Michael Reaction
Authors: Wang Shou‐Guo , Liu Xi‐Jia , Zhao Qun‐Chao , Zheng Chao , Wang Shao‐Bo , You Shu‐Li
Published: October 2015

An intermolecular asymmetric dearomatization reaction of β‐naphthols with nitroethylene through a chiral‐thiourea‐catalyzed Michael reaction is described. Enantioenriched functionalized β‐naphthalenones with an all‐carbon quaternary stereogenic center could thus be easily constructed from simple naphthol derivatives in good yields and excellent enantioselectivity (up to 79 % yield, 98 % ee).
Structure and properties of a low viscosity acrylate based flexible epoxy resin
Authors: Yang Yuan , Zhao Yun-Feng , Wang Jian-Yue , Zhao Chuan , Tong Liu , Liu Xiao-Yan , Zhang Ji-Hua , Zhan Mao-Sheng
Published: October 2015

A series of low viscosity acrylate‐based epoxy resin (AE)/glycol diglycidyl ether (GDE) systems were prepared. The effect of GDE and low molecular weight polyamide (LPA) content on the rheological behavior, phase structure, damping, and mechanical properties were studied by differential scanning calorimeter (DSC), viscometer, scanning electron microscopy (SEM), dynamic mechanical thermal analysis (DMTA), and electro mechanical machine. The viscosity of the uncured AE systems decreased significantly after the incorporation of GDE. The damping properties were found to decrease slightly with the increasing GDE and LPA content. The tensile strength of the cured AE/GDE samples enhanced significantly after the incorporation of GDE with at least 150% improvement for all the samples while it decreased slightly with increasing LPA content. The AE/GDE cured systems were intended for future use as structural damping materials. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42959.
Depletion of neural stem cells from the subventricular zone of adult mouse brain using cytosine b‐Arabinofuranoside
Authors: Ghanbari Amir , Esmaeilpour Tahereh , Bahmanpour Soghra , Golmohammadi Mohammad Ghasem , Sharififar Sharareh , Azari Hassan
Published: October 2015

Introduction

Neural stem cells (NSCs) reside along the ventricular axis of the mammalian brain. They divide infrequently to maintain themselves and the down‐stream progenitors. Due to the quiescent property of NSCs, attempts to deplete these cells using antimitotic agents such as cytosine b‐Aarabinofuranoside (Ara‐C) have not been successful. We hypothesized that implementing infusion gaps in Ara‐C kill paradigms would recruit the quiescent NSCs and subsequently eliminate them from their niches in the subventricular zone (SVZ).

Methods

We infused the right lateral ventricle of adult mice brain with 2% Ara‐C using four different paradigms—1: one week; 2: two weeks; 3, 4: two weeks with an infusion gap of 6 and 12 h on day 7. Neurosphere assay (NSA), neural colony‐forming cell assay (N‐CFCA) and immunofluorescent staining were used to assess depletion of NSCs from the SVZ.

Results

Neurosphere formation dramatically decreased in all paradigms immediately after Ara‐C infusion. Reduction in neurosphere formation was more pronounced in the 3rd and 4th paradigms. Interestingly 1 week after Ara‐C infusion, neurosphere formation recovered toward control values implying the presence of NSCs in the harvested SVZ tissue. Unexpectedly, N‐CFCA in the 3rd paradigm, as one of the most effective paradigms, did not result in formation of NSC‐derived colonies (colonies >2 mm) even from SVZs harvested 1 week after completion of Ara‐C infusion. However, formation of big colonies with serial passaging capability, again confirmed the presence of NSCs.

Conclusions

Overall, these data suggest Ara‐C kill paradigms with infusion gaps deplete NSCs in the SVZ more efficiently but the niches would repopulate even after the most vigorous kill paradigm used in this study.
Filter Press Performance for Fast‐Filtering Compressible Suspensions
Authors: Stickland Anthony D. , Irvin Elizabeth H. , Skinner Samuel J. , Scales Peter J. , Hawkey Andrew , Kaswalder Francesco
Published: October 2015

In some batch filtration processes, highly permeable suspensions dewater fast compared to the rest of the process. Here, the impact of fast‐filtering compressible materials on the throughput of fixed‐chamber filter presses is explored. The dewatering properties for a compressible yet highly permeable minerals processing slurry are used as inputs to a filter press model to explore the effects of operating and design parameters. For fast‐filtering materials, maximum throughput is achieved with wide cavities and minimal handling time, while membrane resistance can be significant. Pressure affects the maximum achievable concentration, as given by the strength of the material. Overall, this work demonstrates the combined use of material characterization and device modeling for filter press optimization.
Measuring Oxygen Solubility in Micelles
Authors: Nissim Rita , Batchelor‐McAuley Christopher , Compton Richard G.
Published: October 2015

A novel electrochemical method has been developed for the determination of the oxygen solubility in cetyltrimethylammonium bromide (CTAB) micelles. The electroreduction of oxygen is studied in aqueous phosphate buffer solutions, using a microelectrode. The addition of micelle‐forming surfactants to solutions pre‐saturated with oxygen leads to a reduction of the oxygen signal, allowing the oxygen uptake by the micelles to be measured. For CTAB micelles, an oxygen concentration of 6.7±0.72 mm was observed, which was shown to remain constant with increasing CTAB concentration in the bulk solution. The method has general applicability.
Triarylboron‐Linked Conjugated Microporous Polymers: Sensing and Removal of Fluoride Ions
Authors: Li Zhongping , Li He , Xia Hong , Ding Xuesong , Luo Xiaolong , Liu Xiaoming , Mu Ying
Published: October 2015

A luminescent conjugated microporous polymer (BCMP‐3) has been synthesized in high yield by a carbon–carbon coupling reaction using triarylboron as a building unit. BCMP‐3 was fully characterized by using powder X‐ray diffraction analysis, Fourier transform infrared spectroscopy, 13C solid‐state NMR spectroscopy, field emission scanning electron microscopy, thermogravimetric analysis, and nitrogen and carbon dioxide adsorption. The new three‐dimensional conjugated framework possess a high Brunauer–Emmett–Teller (BET) specific surface area up to 950 m2 g−1 with a pore volume of 0.768 cm3 g−1, good stability, and abundant boron sites in the skeleton. Under excited‐light irradiation, BCMP‐3 exhibits strong fluorescent emission at 488 nm with a high absolute quantum yield of 18 % in the solid state. Polymer BCMP‐3 acts as a colorimetric and fluorescent chemosensor with high sensitivity and selectivity for F− over other common anions. In addition, the polymer also works as an adsorbent for F− removal and shows good adsorption capacities of up to 24 mg g−1 at equilibrium F− concentrations of 16 mg L−1 and a temperature of 298 K. The adsorption kinetics and isotherm were analyzed by fitting experimental data with pseudo‐second‐order kinetics and Langmuir equations. Furthermore, we highlight that BCMP‐3 is an adsorbent for fluoride removal that can be efficiently reused many times without loss of adsorption efficiency.
Photosensitized Thymine Dimerization via Delocalized Triplet Excited States
Authors: Miro Paula , Lhiaubet‐Vallet Virginie , Marin M. Luisa , Miranda Miguel A.
Published: October 2015

A new mechanism of photosensitized formation of thymine (Thy) dimers is proposed, which involves generation of a delocalized triplet excited state as the key step. This is supported by chemical evidence obtained by combining one benzophenone and two Thy units with different degrees of freedom, whereby the photoreactivity is switched from a clean Paternò–Büchi reaction to a fully chemo‐, regio‐, and stereoselective [2+2] cycloaddition.
Effects of Coke Deposits on the Catalytic Performance of Large Zeolite H‐ZSM‐5 Crystals during Alcohol‐to‐Hydrocarbon Reactions as Investigated by a Combination of Optical Spectroscopy and Microscopy
Authors: Nordvang Emily C. , Borodina Elena , Ruiz‐Martínez Javier , Fehrmann Rasmus , Weckhuysen Bert M.
Published: October 2015

The catalytic activity of large zeolite H‐ZSM‐5 crystals in methanol (MTO) and ethanol‐to‐olefins (ETO) conversions was investigated and, using operando UV/Vis measurements, the catalytic activity and deactivation was correlated with the formation of coke. These findings were related to in situ single crystal UV/Vis and confocal fluorescence micro‐spectroscopy, allowing the observation of the spatiotemporal formation of intermediates and coke species during the MTO and ETO conversions. It was observed that rapid deactivation at elevated temperatures was due to the fast formation of aromatics at the periphery of the H‐ZSM‐5 crystals, which are transformed into more poly‐aromatic coke species at the external surface, preventing the diffusion of reactants and products into and out of the H‐ZSM‐5 crystal. Furthermore, we were able to correlate the operando UV/Vis spectroscopy results observed during catalytic testing with the single crystal in situ results.
Heterometallic Fe2II–UV and Ni2II–UV Exchange‐Coupled Single‐Molecule Magnets: Effect of the 3 d Ion on the Magnetic Properties
Authors: Chatelain Lucile , Pécaut Jacques , Tuna Floriana , Mazzanti Marinella
Published: October 2015

Uranium‐based compounds have been put forward as ideal candidates for the design of single‐molecule magnets (SMMs) with improved properties, but to date, only two examples of exchange‐coupled 3d–5f SMM containing uranium have been reported and both are based on the MnII ion. Here we have synthesized the first examples of exchange‐coupled uranium SMMs based on FeII and NiII. The SMM behavior of these complexes containing a quasi linear {MOUOM} core arises from intramolecular FeU and NiU exchange interactions combined with the high Ising anisotropy of the uranyl(V) moiety. The measured values of the relaxation barrier (53.9±0.9 K in the UFe2 complex and of 27.4±0.5 K in the UNi2 complex) show clearly the dependency on the spin value of the transition metal, providing important new information for the future design of improved uranium‐based SMMs.
ChemInform Abstract: (CaO)(FeSe): A Layered Wide‐Gap Oxychalcogenide Semiconductor.
Authors: Han Fei , Wang Di , Malliakas Christos D. , Sturza Mihai , Chung Duck Young , Wan Xiangang , Kanatzidis Mercouri G.
Published: October 2015

The new title compound is synthesized in low yield from a stoichiometric mixture of CaO and FeSe (alumina crucible, 1000 °C, 10 h) and characterized by single crystal XRD, SEM, optical spectroscopy, resistivity measurements, and DFT band structure calculations.
ChemInform Abstract: CaCl2, Bisoxazoline, and Malonate: A Protocol for an Asymmetric Michael Reaction.
Authors: Lippur Kristin , Kaabel Sandra , Jaerving Ivar , Rissanen Kari , Kanger Tonis
Published: October 2015

It is demonstrated, that a catalytic system composed of CaCl2 and a pyridine‐bisoxazoline ligand efficiently promotes the asymmetric Michael addition of α,β‐unsaturated ketones with dimethyl malonate.
ChemInform Abstract: Diversity‐Oriented Synthesis of β‐Lactams and γ‐Lactams by Post‐Ugi Nucleophilic Cyclization: Lewis Acids as Regioselective Switch.
Authors: Li Zhenghua , Sharma Upendra Kumar , Liu Zhen , Sharma Nandini , Harvey Jeremy N. , Van der Eycken Erik V.
Published: October 2015

Heterocyclic fused α‐methylene β‐lactams are synthesized by a InCl3‐catalyzed intramolecular addition reaction.
ChemInform Abstract: Palladium‐Catalyzed Oxirane‐Opening Reaction with Arenes via C—H Bond Activation.
Authors: Wang Zhen , Kuninobu Yoichiro , Kanai Motomu
Published: October 2015

The scalable reaction has a broad substrate scope: Thus, arenes containing unsubstituted or substituted pyridine, quinolyl, amino or amide functionalities as the directing group are regioselectively functionalized at the sterically less hindered ortho‐position.
ChemInform Abstract: Ruthenium—Arene Catalysts Bearing N‐Heterocyclic Carbene Ligands for Olefin Cyclopropanation and Metathesis.
Authors: Meret Michael , Maj Anna M. , Demonceau Albert , Delaude Lionel
Published: October 2015

Ruthenium NHC‐catalysts of type (I) are found to be efficient catalysts for the cyclopropanation of activated olefins with diazoacetate (III).
ChemInform Abstract: Double‐Bond Isomerization: Highly Reactive Nickel Catalyst Applied in the Synthesis of the Pheromone (9Z,12Z)‐Tetradeca‐9,12‐dienyl Acetate.
Authors: Weber Felicia , Schmidt Anastasia , Roese Philipp , Fischer Michel , Burghaus Olaf , Hilt Gerhard
Published: October 2015

The reaction tolerates a wide range of functional groups susceptible to further transformations.
ChemInform Abstract: Fragment Coupling and the Construction of Quaternary Carbons Using Tertiary Radicals Generated From tert‐Alkyl N‐Phthalimidoyl Oxalates by Visible‐Light Photocatalysis.
Authors: Lackner Gregory L. , Quasdorf Kyle W. , Pratsch Gerald , Overman Larry E.
Published: October 2015

The starting oxalates are prepared following the synthesis of cyclohexane (III) which is used in most of the title reactions.
ChemInform Abstract: Pd—Pb Alloy Nanocrystals with Tailored Composition for Semihydrogenation: Taking Advantage of Catalyst Poisoning.
Authors: Niu Wenxin , Gao Yongjun , Zhang Weiqing , Yan Ning , Lu Xianmao
Published: October 2015

A variety of Pd‐Pb alloy nanocrystals with adjustable shapes and compositions are synthesized and applied as model catalysts for the semihydrogenation of alkynes.
ChemInform Abstract: Ruthenium‐Catalyzed ortho Alkenylation of Aromatic Nitriles with Activated Alkenes via C—H Bond Activation.
Authors: Reddy Mallu Chenna , Jeganmohan Masilamani
Published: October 2015

A series of mono‐alkenylated arenes is prepared by reaction of aromatic nitriles with acrylate esters.
ChemInform Abstract: An Efficient Mechanochemical Synthesis of Amides and Dipeptides Using 2,4,6‐Trichloro‐1,3,5‐triazine and PPh3.
Authors: Duangkamol Chuthamat , Jaita Subin , Wangngae Sirilak , Phakhodee Wong , Pattarawarapan Mookda
Published: October 2015

A variety of carboxylic acids including aromatic acids, aliphatic acids, and N‐protected α‐amino acids (VI) undergo amidation to afford amides in moderate to excellent yields.
ChemInform Abstract: An Efficient and Practical Approach to Trifluoromethylthiolation of α‐Haloketones/α‐Haloarylmethanes.
Authors: Jiang Min , Zhu Fangxia , Xiang Haoyue , Xu Xing , Deng Lianfu , Yang Chunhao
Published: October 2015

A simple method is elaborated for the trifluoromethylthiolation of bromides (I), (IV), and (VI) with AgS‐CF3 in the presence of potassium iodide.
ChemInform Abstract: Oxidative Olefination of Anilides with Unactivated Alkenes Catalyzed by an (Electron‐Deficient η5‐Cyclopentadienyl)Rhodium(III) Complex under Ambient Conditions.
Authors: Takahama Yuji , Shibata Yu , Tanaka Ken
Published: October 2015

The oxidative olefination of anilides with both activated and unactivated alkenes using an (electron‐deficient η5‐cyclopentadienyl)rhodium(III) complex leads to mono‐olefinated products (III) and (VI) as main products.
ChemInform Abstract: Practical Catalytic Method for Synthesis of Sterically Hindered Anilines.
Authors: Mailig Melrose , Rucker Richard P. , Lalic Gojko
Published: October 2015

A broad range of aryl and hetarylboronic acid neopentylglycol esters bearing various functional groups are efficiently coupled with O‐benzoyl‐N,N‐dialkyl or N‐alkyl hydroxylamines, thus providing access to tertiary and secondary anilines, including sterically hindered ones.
ChemInform Abstract: A Highly Stereoselective Metal‐Free Hydrogenation of Diimines for the Synthesis of cis‐Vicinal Diamines.
Authors: Zhu Xiaxia , Du Haifeng
Published: October 2015

Piers′ borane is used as catalyst for the synthesis of vicinal diamines.The reaction proceeds diastereoselectively and only a single isomer is obtained (no d.e.‐values given).
ChemInform Abstract: Mild Mn(OAc)3‐Mediated Aerobic Oxidative Decarboxylative Coupling of Arylboronic Acids and Arylpropiolic Acids: Direct Access to Diaryl 1,2‐Diketones.
Authors: Lv Wen‐Xin , Zeng Yao‐Fu , Zhang Shang‐Shi , Li Qingjiang , Wang Honggen
Published: October 2015

Labeling experiments show that both oxygen atoms of the 1,2‐diketone originate from air.
ChemInform Abstract: Palladium‐Catalyzed Enantioselective Three‐Component Synthesis of α‐Substituted Amines.
Authors: Beisel Tamara , Manolikakes Georg
Published: October 2015

The first general synthesis of the title compounds from sulfonamides, aldehydes, and arylboronic acids utilizing a single catalytic system with easily accessible BOX‐ligand is reported.
ChemInform Abstract: Iodine‐Promoted Decarboxylative C—S Cross‐Coupling of Cinnamic Acids with Sodium Benzene Sulfinates
Authors: Chen Jie , Mao Jincheng , Zheng Yang , Liu Defu , Rong Guangwei , Yan Hong , Zhang Cheng , Shi Daqing
Published: October 2015

affording vinyl sulfones under metal‐free reaction conditions
ChemInform Abstract: Catalyst‐Controlled Regiodivergent C—H Borylation of Multifunctionalized Heteroarenes by Using Iridium Complexes.
Authors: Sasaki Ikuo , Taguchi Jumpei , Hiraki Shotaro , Ito Hajime , Ishiyama Tatsuo
Published: October 2015

A variety of 2,5‐disubstituted furans, thiophenes, and pyrroles are subjected to the title reaction.
ChemInform Abstract: BF3·OEt2‐Mediated Alkenylation of Pyrroles with α‐Oxo Ketene Dithioacetals.
Authors: Yang Xiaoge , Wu Kaikai , Yu Zhengkun
Published: October 2015

The title reaction affords mono‐ and bispyrrole compounds.
ChemInform Abstract: Synthesis of Chiral (Indol‐2‐yl)methanamines and Insight into the Stereochemistry Protecting Effects of the 9‐Phenyl‐9‐fluorenyl Protecting Group.
Authors: Lood Christopher S. , Laine Aino E. , Hoegnaesbacka Antonia , Nieger Martin , Koskinen Ari M. P.
Published: October 2015

Whereas starting compound (III) is already known, an efficient approach to the analogous amino acid derivatives (I) and (V) is investigated to prepare them in a reasonable yield.
ChemInform Abstract: C—H Functionalization of Cyclic Amines: Redox‐Annulations with α,β‐Unsaturated Carbonyl Compounds.
Authors: Kang YoungKu , Richers Matthew T. , Sawicki Conrad H. , Seidel Daniel
Published: October 2015

The redox‐annulation of pyrrolidine (II) with unsaturated ketones (I) gives rise to fused pyrrolines (III), which are converted into pyrroles and pyrrolidines.
ChemInform Abstract: Sulfenylation of β‐Diketones Using C—H Functionalization Strategy.
Authors: Varun Begur Vasanthkumar , Gadde Karthik , Prabhu Kandikere Ramaiah
Published: October 2015

The scalable, mild, and metal‐free sulfenylation of 1,3‐dialkyl, 1,3‐diaryl, or 1,3‐alkylaryl substituted β‐diketones with various benzoxazole‐2‐thiones or benzothiazole‐2‐thiones proceeds without deacylation.
ChemInform Abstract: Regioselective Metal‐Free Cross‐Coupling of Quinoline N‐Oxides with Boronic Acids.
Authors: Bering Luis , Antonchick Andrey P.
Published: October 2015

A novel and simple one‐step C—H bond functionalization of a wide range of quinoline N‐oxides to the corresponding 2‐substituted quinolines under external oxidant‐ and metal‐free conditions is developed.
ChemInform Abstract: Expedient Catalytic Construction of Azabicyclo[4.1.0]/[5.1.0] Carbaldehydes via Intramolecular Cyclopropanation.
Authors: Pan Xian‐Hua , Jiang Pan , Jia Zhi‐Hong , Xu Ke , Cao Jing , Chen Chang , Shen Mei‐Hua , Xu Hua‐Dong
Published: October 2015

Three types of aza‐bicycles are conveniently constructed from the corresponding carbene progenitors of N‐allyl or N‐homoallyl triazoles.
ChemInform Abstract: New 3,4‐Secocycloartane and 3,4‐Secodammarane Triterpenes from the Ecuadorian Plant Coussarea macrophylla.
Authors: Gilardoni Gianluca , Chiriboga Ximena , Vita Finzi Paola , Vidari Giovanni
Published: October 2015

The isolation and structure determination of three new 3,4‐secodammarane triterpenes, macrocoussaric acids A‐C (I), and 3,4‐secocycloartane‐type triterpenoids, macrocoussaric acids D‐F (II), is described.
ChemInform Abstract: New Isoprenylated Phenolic Compounds from Morus laevigata.
Authors: Wang Meng , Yu Bang‐Wei , Yu Mei‐Hua , Gao Li‐Xin , Li Jing‐Ya , Wang He‐Yao , Li Jia , Hou Ai‐Jun
Published: October 2015

Two new isoprenylated flavonoids, laevigasins A (I) and B (II), and one new isoprenylated 2‐arylbenzofuran, laevigasin C (III), are isolated from the title species along with eight known compounds.
ChemInform Abstract: Review: Multimetallic Silver(I)‐Pyridinyl Complexes: Coordination of Silver(I) and Luminescence
Authors: Njogu Eric M. , Omondi Bernard , Nyamori Vincent O.
Published: October 2015

Review: 221 refs.
ChemInform Abstract: Review: Recent Advances in the Investigations of NO Activation on Cobalt and Manganese Porphyrins: A Brief Review
Authors: Orzel Lukasz , Polaczek Justyna , Procner Magdalena
Published: October 2015

Review: 79 refs.
ChemInform Abstract: Use of in situ Generated Nitrosocarbonyl Compounds in Catalytic Asymmetric α‐Hydroxylation and α‐Amination Reactions
Authors: Maji Biplab , Yamamoto Hisashi
Published: October 2015

Review: [23 refs.
ChemInform Abstract: Design of Highly Functionalized Polyoxometalate‐Based Catalysts
Authors: Kamata Keigo
Published: October 2015

Review: [35 refs.
ChemInform Abstract: Recent Trends in the Development of Vitamin B12 Derivatives for Medicinal Applications
Authors: Zelder Felix
Published: October 2015

Review: 192 refs.
ChemInform Abstract: Chemistry at the Interior Atoms of Polycyclic Aromatic Hydrocarbons
Authors: Scott Lawrence T.
Published: October 2015

Review: 53 refs.
ChemInform Abstract: Triazine as a Promising Scaffold for Its Versatile Biological Behavior
Authors: Singla Prinka , Luxami Vijay , Paul Kamaldeep
Published: October 2015

Review: 143 refs.
ChemInform Abstract: Graphene‐Based Materials for Lithium‐Ion Hybrid Supercapacitors
Authors: Ma Yanfeng , Chang Huicong , Zhang Miao , Chen Yongsheng
Published: October 2015

Review: 73 refs.
Investigation of impingement heat transfer for air‐sand mixture flow
Authors: Al‐Dulaimi Mustafa J. , Rasool Adnan A. Abdul , Hamad Faik A.
Published: October 2015

Heat transfer between a heated flat plate and normal impinging gas‐solid two‐phase jet flow was investigated. A single jet from a nozzle of 10 mm diameter at nozzle‐to‐plate distance/nozzle diameter ratio in the range of 2–8 was used. Natural sand particles with average diameters of 220, 350, and 550 μm were used as a solid phase. The effects of particle size and loading ratio (mass of sand/mass of air) at different jet velocities on impingement cooling characteristics of the flat plate are investigated. The numerical simulations were performed with ANSYS Fluent 14.7 for a steady, three‐dimensional, incompressible turbulent flow using Eulerian simulation for the gas phase and Lagrangian simulation for sand particles. The experimental results show that the existence of sand particles decreases the Nusselt number compared to air jet flow. The single and two‐phase flow experimental results are close to predictions when the particle reflection option is used in the simulation. The discrepancy in local values near the stagnation point can be attributed to the complex nature of the two‐phase flow at the stagnation point that includes reflection of sand particles at different angles.
Interfacial Effects in PdAg Bimetallic Nanosheets for Selective Dehydrogenation of Formic Acid
Authors: Hu Chengyi , Mu Xiaoliang , Fan Jingmin , Ma Haibin , Zhao Xiaojing , Chen Guangxu , Zhou Zhiyou , Zheng Nanfeng
Published: October 2015

Two‐dimensional ultrathin PdAg bimetallic nanosheets are fabricated and used as model catalysts for understanding the synergetic effects in bimetallic nanocatalysts. The ultrathin nature of the nanosheets allows us to probe the electronic and geometric structures using XPS and X‐ray absorption spectroscopy. The as‐prepared bimetallic nanosheets show high catalytic activity for selective dehydrogenation of formic acid, especially when the Ag/Pd ratio reaches 1. The superior activity is attributed to the electronic and geometric effect generated from the Pd–Ag interfaces in the catalysts. Our studies reveal increased bond distances of Pd–Pd and decreased Ag–Ag bond lengths in the PdAg bimetallic nanosheets. Pd is electronically promoted by Ag to give enhanced catalysis. Moreover, the geometric effect generated from the PdAg alloyed surface enhances the catalysis by suppressing CO poisoning on the catalysts, which is confirmed by electrochemical FTIR measurements.
From Halogen to Superhalogen Behavior of Organic Molecules Created by Functionalizing Benzene
Authors: Zhao Hongmin , Zhou Jian , Fang Hong , Jena Puru
Published: October 2015

Benzene, the classic organic molecule obeying Hückel′s rule of aromaticity, has negative electron affinity (EA), namely −1.15 eV. By using density functional theory with hybrid functional for exchange and correlation potential, we show that a series of organic molecules created by changing either the benzene core or the ligands, or both, result in species with EAs that range from 2.15 to 5.37 eV. This shows that ligand substitution is more effective than aromaticity in increasing the EA of organic molecules. The ability to create highly electronegative organic molecules by functionalizing benzene may provide new opportunities for synthesizing organic oxidizing agents with potential new applications.
Innovations in plantar pressure and foot temperature measurements in diabetes
Authors: Bus S. A.
Published: October 2015

Plantar pressure and temperature measurements in the diabetic foot primarily contribute to identifying abnormal values that increase risk for foot ulceration, and they are becoming increasingly more integrated in clinical practice and daily life of the patient. While plantar pressure measurements have long been present, only recently evidence shows their importance in ulcer prevention, as a data‐driven approach to therapeutic footwear provision. The long‐term monitoring of plantar pressures with the option to provide feedback, when alarming pressure levels occur, is a promising development in this area, although more technical and clinical validation is required. Shear is considered important in ulcer aetiology but is technically difficult to measure. Innovative research is underway to assess if foot temperature can act as a useful surrogate for shear. Because the skin heats up before it breaks down, frequent monitoring of foot temperature can identify these warning signals. This approach has shown to be effective in preventing foot ulcers. Innovation in diagnostic methods for foot temperature monitoring and evidence on cost effectiveness will likely facilitate implementation. Finally, monitoring of adherence to offloading treatment using temperature‐based sensors has proven to be a feasible and relevant method with a wide range of possible research and patient care applications.

These innovations in plantar pressure and temperature measurements illustrate an important transfer in diabetic foot care from subjective to objective evaluation of the high‐risk patient. They demonstrate clinical value and a large potential in helping to reduce the patient and economic burden of diabetic foot disease. Copyright © 2016 John Wiley & Sons, Ltd.
Connectedness to the criminal community and the community at large predicts 1‐year post‐release outcomes among felony offenders
Authors: Folk Johanna B. , Mashek Debra , Tangney June , Stuewig Jeffrey , Moore Kelly E.
Published: October 2015

Connectedness to one's community relates to positive psychological and behavioral outcomes. But what implications do connectedness to distinct communities—the criminal community and the community at large—have for inmates about to be released from jail? This study (N = 383) prospectively examined connectedness to the criminal community and community at large prior to release from jail and functioning at 1‐year post‐release. Connectedness to the community at large positively predicted community adjustment, whereas connectedness to the criminal community positively predicted recidivism. Targeting both types of community connectedness may enhance interventions intended to undermine recidivism and increase positive outcomes for inmates.
An Electrochemical Biosensor with Uricase Immobilized on Functionalized Gold Coated Copper Wire Electrode for Urinary Uric Acid Assay
Authors: Cheng Cheanyeh , Kao Chi‐Ying
Published: October 2015

A new second generation uricase electrode for urinary uric acid determination has been developed by chemically binding both uricase and redox mediator to inexpensive copper wire through simple electrodeposition of gold on copper surface and subsequent functionalization of the gold with L‐methionine. During a 209‐day testing period, the overall electrode performance exhibits in average a low oxidation potential of 0.33 V, a response time of 5 s, a widest linear calibration concentration range (0–2.38 mM, r2>0.9952), a sensitivity of 50 μA mM−1, and a detection limit of 2.4 μM. The measurement accuracy and precision for the determination of uric acid in human urine specimens were 85.6–95.5 % and 0.3–2.4 %, respectively. The developed uricase electrode is potential for clinical applications.
Fully automated electrophoretically mediated microanalysis for CYP1A1 activity monitoring optimized by multivariate approach
Authors: Farcaş Elena , Servais Anne‐Catherine , Lamalle Caroline , Chiap Patrice , Pochet Lionel , Fillet Marianne
Published: October 2015

In this study, a fully automated incapillary system was developed to monitor the activity of CYP1A1 (Cytochrome P450, family 1, subfamily A, polypeptide 1) in physiological conditions. Ethoxycoumarin, the selected substrate, undergoes an inline bioreaction in the presence of CYP1A1 supersomes and Nicotinamide adenine dinucleotide phosphate reduced as cofactor, giving rise to hydroxycoumarin, the product that was assayed. The optimization of the experimental conditions was supported by the application of a design of experiment, providing a better understanding of electrophoretic mixing parameters that influence the metabolic reactions. The results obtained in optimal conditions were compared not only to those achieved after offline metabolization but also with liver microsomes. Finally, inhibition studies were conducted showing an important decrease of hydroxycoumarin formation using apigenin as CYP1A1 potent inhibitor. This study demonstrates the usefulness of our inline system for the fully automated in vitro metabolism studies and the screening of new CYP1A1 inhibitors.
Electrodeless dielectrophoresis: Impact of geometry and material on obstacle polarization
Authors: Pesch Georg R. , Kiewidt Lars , Du Fei , Baune Michael , Thöming* Jorg
Published: October 2015

Insulator‐based (electrodeless) dielectrophoresis (iDEP) is a promising particle manipulation technique, based on movement of matter in inhomogeneous fields. The inhomogeneity of the field arises because the excitatory field distorts at obstacles (posts). This effect is caused by accumulation of polarization charges at material interfaces. In this study, we utilize a multipole expansion method to investigate the influence of geometry and material on field distortion of posts with arbitrary cross‐sections in homogeneous electric fields applied perpendicular to the longitudinal axis of the post. The post then develops a multipole parallel or anti parallel to the excitatory field. The multipoles intensity is defined by the post's structure and material properties and directly influences the DEP particle trapping potential. We analyzed posts with circular and rhombus‐shaped cross‐sections with different cross‐sectional width‐to‐height ratios and permittivities for their polarization intensity, multipole position, and their particle trapping behavior. A trade‐off between high maximum field gradient and high coverage range of the gradient is presented, which is determined by the sharpness of the post's edges. We contribute to the overall understanding of the post polarization mechanism and expect that the results presented will help optimizing the structure of microchannels with arrays of posts for electrodeless DEP application.
Measuring Health Spillovers for Economic Evaluation: A Case Study in Meningitis
Authors: Al‐Janabi Hareth , Van Exel Job , Brouwer Werner , Trotter Caroline , Glennie Linda , Hannigan Laurie , Coast Joanna
Published: October 2015

The health of carers and others close to the patient will often be relevant to economic evaluation, but it is very rarely considered in practice. This may reflect a lack of understanding of how the spillover effect of illness can be appropriately quantified. In this study we used three different approaches to quantify health spillovers resulting from meningitis. We conducted a survey of 1218 family networks affected by meningitis and used regression modelling to estimate spillover effects. The findings show that meningitis had long‐term effects on family members' health, particularly affecting the likelihood of family members reporting anxiety and depression. These effects extended beyond a single close family member. These findings suggest that vaccinating against meningitis will bring significant health benefits not just to those that might have contracted the illness but also to their family networks. In methodological terms, different approaches for quantifying health spillovers provided broadly consistent results. The choice of method will be influenced by the ease of collecting primary data from family members in intervention contexts. © 2015 The Authors.Health Economicspublished by John Wiley & Sons Ltd.
Nested‐Scale Nutrient Flux in a Mixed‐Land‐Use Urbanizing Watershed
Authors: Zeiger Sean J. , Hubbart Jason A.
Published: October 2015

To improve quantitative understanding of mixed‐land‐use impacts on nutrient yields, a nested‐scale experimental watershed study design (n = 5) was applied in a 303(d), clean water act impaired urbanizing watershed of the lower Missouri River Basin, USA. From 2010 to 2013, water samples (n = 858 sample days per site) were analysed for total inorganic nitrogen (TIN‐N), nitrite (NO2–N) nitrate (NO3–N), ammonia (NH3–N), and total phosphorus (TP‐P). Annual, seasonal, and monthly flow‐weighted concentrations (FWCs) and nutrient yields were estimated. Mean nutrient concentrations were highest where agricultural land use comprised 58% of the drainage area (NH3 = 0.111 mg/l; NO2 = 0.045 mg/l; NO3 = 0.684 mg/l, TIN = 0.840 mg/l; TP = 0.127 mg/l). Average TP‐P increased by 15% with 20% increased urban land use area. Highly variable annual precipitation was observed during the study with highest nutrient yields during 2010 (record setting wet year) and lowest nutrient yields during 2012 (extreme drought year). Annual TIN‐N and TP‐P yields exceeded 10.3 and 2.04 kg ha−1 yr−1 from the agricultural dominated headwaters. Mean annual NH3–N, NO2–N, NO3–N, TIN‐N, and TP‐P yields were 0.742, 0.400, 4.24, 5.38, and 0.979 kg ha−1 yr−1, respectively near the watershed outlet. Precipitation accounted for the majority of the explained variance in nutrient yields (R2 values from 0.68 to 0.85). Nutrient yields were also dependent on annual precipitation of the preceding year (R2 values from 0.87 to 0.91) thus enforcing the great complexity of variable mixed‐land‐use mediated source‐sink nutrient yield relationships. Study results better inform land managers and best management practices designed to mitigate nutrient pollution issues in mixed‐land‐use freshwater ecosystems. Copyright © 2015 John Wiley & Sons, Ltd.
Trichosporon jirovecii–mediated synthesis of cadmium sulfide nanoparticles
Authors: El‐Baz Ashraf Farag , Sorour Noha Mohamed , Shetaia Youssria Mohamed
Published: October 2015

Cadmium sulphide is one of the most promising materials for solar cells and of great interest due to its useful applications in photonics and electronics, thus the development of bio‐mediated synthesis of cadmium sulphide nanoparticles (CdS NPs) is one of the essential areas in nanoparticles. The present study demonstrates for the first time the eco‐friendly biosynthesis of CdS NPs using the yeast Trichosporon jirovecii. The biosynthesis of CdS NPs were confirmed by UV‐Vis spectrum and characterized by X‐ray diffraction assay and electron microscopy. Scanning and transmission electron microscope analyses shows the formation of spherical CdS NPs with a size range of about 6–15 nm with a mean Cd:S molar ratio of 1.0:0.98. T. jirovecii produced hydrogen sulfide on cysteine containing medium confirmed by positive cysteine‐desulfhydrase activity and the colony color turned yellow on 0.1 mM cadmium containing medium. T. jirovecii tolerance to cadmium was increased by the UV treatment and three 0.6 mM cadmium tolerant mutants were generated upon the UV radiation treatment. The overall results indicated that T. jirovecii could tolerate cadmium toxicity by its conversion into CdS NPs on cysteine containing medium using cysteine‐desulfhydrase as a defense response mechanism.
Screening of the chemical composition and bioactivity of Waldheimia glabra (Decne.) Regel essential oil
Authors: Manzo Alessandra , Musso Loana , Panseri Sara , Iriti Marcello , Dallavalle Sabrina , Catalano Enrico , Scarì Giorgio , Giorgi Annamaria
Published: October 2015

BACKGROUND

This research aimed at improving knowledge as to the chemical composition and the antibacterial and anti‐cancer activities of the essential oil of Waldheimia glabra, a wild plant from the Himalayan Mountains.

RESULTS

The results obtained by GC‐MS showed that spathulenol, 9‐tetradecenol, thujopsene, α‐thujone, santolina alcohol and terpinen‐4‐ol were the main constituents of Waldheimia glabra essential oil. These results were confirmed by HS‐SPME GC‐MS analysis that also reported high amounts of artemisia alcohol and camphor. Disc diffusion assay suggested a mild antibacterial activity against both Escherichia coli and Staphylococcus aureus. Finally, a dose–response correlation was observed between Waldhemia glabra essential oil concentration and viability of human breast adenocarcinoma cells MDA‐MB‐231 and MCF‐7.

CONCLUSIONS

Together with the GC‐MS method, HS‐SPME GC‐MS proved to be a reliable technique to characterise the chemical composition of essential oil obtained from aromatic plants. Further studies will focus on W. glabra phytochemicals and their biological activity, in order to support traditional uses of the plant. © 2015 Society of Chemical Industry
Is Rainwater Harvesting an Option for Designing Sustainable Cropping Patterns for Rainfed Agriculture?
Authors: Akhtar Masood , ‐Hassan Fayyaz‐ul , Ahmed Mukhtar , Hayat Rifat , Stöckle Claudio O.
Published: October 2015

Rainwater harvesting in small dams has good potential to provide supplementary agricultural irrigation during critical crop growth stages. Field experiments were conducted to evaluate cropping patterns: fallow–wheat (FW), mash–wheat (MaW), sorghum–wheat (SW), maize (grain)–wheat (MW), maize (grain)–gram (MG) and mung–canola (MuC); under two conditions: irrigated (Command area of Pira Fatehial small dam) and rainfed (Un‐command area) on sandy loam soil during three years (2009 to 2011). Treatments were arranged in a randomized complete block design, three factor factorial (cropping patterns, irrigated/non‐irrigated conditions and years) using four replications. The highest grain yield of wheat (5.6 Mg ha−1) was obtained from the MaW cropping pattern as compared to those from MW, FW and SW cropping patterns. Summer crops (sorghum fodder, maize grain and mash) performed excellent under irrigated conditions. Water use efficiency of wheat (14.3 kg ha−1mm−1) following mash under both the conditions exhibited higher values than when compared with those from SW, FW and MW cropping patterns. However, nutrient use efficiency in SW cropping pattern surpassed the others. Performance of all crops remained better under the irrigated condition during both all seasons and years, as rainfall deficiency was compensated by supplementary irrigations. Hence, this study concluded that farmers having water resources for supplemental irrigation should adopt the MW cropping pattern, based on grain yield, efficient utilization of available supplemental water and better utilization of nutrients. Similarly, based on improved nutrient utilization and monitory outputs, the MaW sequence should be followed in rain‐fed areas for better resource management. Copyright © 2015 John Wiley & Sons, Ltd.
Structural Investigations of Propylene/Ethylene Random Copolymers by Thermal Fractionation Technique
Authors: Destro Mara , Ferrara Giuseppe , Malizia Federica , Nadalini Giorgio , Tartari Davide
Published: October 2015

Stepwise Isothermal Segregation Technique (SIST) has been applied to four C3C2 random copolymers with very similar ethylene content and molecular weight distribution but generated by using different Ziegler‐Natta catalysts in order to test the capability of such technique to discriminate among molecular structures. On the basis of obtained results it was possible to demonstrate the sensibility of SIST to both inter‐ and intra‐ molecular defects impressed to the polymers by the different catalytic systems.
Safety of intravenous immunoglobulin in the elderly treated for a dysimmune neuromuscular disease
Authors: Lozeron Pierre , Not Adeline , Theaudin Marie , Denier Christian , Masnou Pascal , Sarov Mariana , Adam Clovis , Cauquil Cécile , Adams David
Published: October 2015

Introduction

Many patients treated with intravenous immunoglobulin (IVIg) are >60 years of age. Tolerability has yet to be demonstrated in this age group.

Methods

This is a retrospective study of adverse reactions among consecutive patients treated with IVIg for neurological disorders. Risk factors were recorded. Correlation and relative risks were calculated for age, risk factors, IVIg course, daily dose, concentration, preparation, and duration of treatment. An infusion and monitoring protocol was applied.

Results

Two hundred forty‐four patients were reviewed, including 62% who were ≥60 years of age (total dose 1.8 ± 0.4 g/kg body weight, daily dose 30.3 ± 2.0 g). Sixty‐nine percent received sugar‐stabilized IVIg. Forty‐nine percent presented with >1 risk factor. Adverse reactions occurred in 35% and led to treatment discontinuation in 5%, with a similar incidence among age groups. In patients ≥60 years old, sucrose‐free IVIg administration was an independent predictor of adverse reactions, including renal failure.

Conclusion

In the elderly, IVIg infusions are safe. Adverse reactions mainly depend on IVIg preparation and administration. Renal failure is not uncommon with sugar‐free IVIg. Muscle Nerve 53: 683–689, 2016
Forgotten monomers: access to α‐modified N‐vinylpyrrolidone polymers via C‐alkylation
Authors: Obels Daniela , Siegfeld Patrick , Ritter Helmut
Published: October 2015

Alkylation of N‐vinylpyrrolidone using lithium diisopropylamide and bis(2‐bromoethyl) ether was carried out to obtain 3‐(2‐(2‐bromoethoxy)ethyl)‐1‐vinyl‐2‐pyrrolidone (2). The derivative 2 represents a versatile starting molecule for further modification via nucleophilic displacement yielding, for example, the bicyclic 2‐vinyl‐8‐oxa‐2‐azaspiro[4.5]decan‐1‐one (4) or the ammonium salt 3‐diethoxy‐N,N′‐((dimethylbenzyl)ammonium bromide)‐1‐vinyl‐2‐pyrrolidone (10). Via free radical polymerization of 4 and 10, the corresponding homopolymers were obtained. Copolymerization of 4 and 10 with N,N′‐diethylacrylamide yielded water‐soluble materials. The thermosensitive solubility of copolymers poly[(2‐vinyl‐8‐oxa‐2‐azaspiro[4.5]decan‐1‐one)‐co‐(N,N′‐diethylacrylamide)] and poly[(3‐diethoxy‐N,N′‐((dimethylbenzyl)ammonium bromide)‐1‐vinyl‐2‐pyrrolidone)‐co‐(N‐vinylpyrrolidone)] in water was investigated. © 2015 Society of Chemical Industry
Synthesis of gradient copolysiloxanes by simultaneous copolymerization of cyclotrisiloxanes and mechanism for kinetics inverse between anionic and cationic ring‐opening polymerization
Authors: Fei Hua‐Feng , Han Xiaojie , Liu Bozheng , Gao Xiyin , Wang Qian , Zhang Zhijie , Xie Zemin
Published: October 2015

Trifluoropropylmethylsiloxane–phenylmethylsiloxane gradient copolysiloxanes were synthesized by anionic and cationic ring‐opening polymerization (ROP) of 1,3,5‐tris(trifluoropropylmethyl)cyclotrisiloxane (
) and phenylmethylcyclotrisiloxane (
). The analysis of reactivity ratios revealed that the reactivity of
toward anionic ROP was higher than that of
; however,
exhibited lower reactivity compared with
during the cationic ROP. AB and BAB type gradient copolymers were obtained because of a difference in the reactivity of the monomers. The microstructure of copolymers was characterized by 29Si NMR spectroscopy, gel permeation chromatography, and differential scanning calorimetry. Furthermore, the mechanism for kinetics inverse of copolymerization was proposed based on the results of the optimized molecular configuration. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 835–843