bluuebunny/crossref_metadata_2025_split huggingface dataset:
NMR study comparing capillary trapping in Berea sandstone of air, carbon dioxide, and supercritical carbon dioxide after imbibition of water
Authors: Prather Cody A. , Bray Joshua M. , Seymour Joseph D. , Codd Sarah L. 
Published: January 2016

AbstractNuclear magnetic resonance (NMR) techniques were used to study the capillary trapping mechanisms relevant to carbon sequestration. Capillary trapping is an important mechanism in the initial trapping of supercritical CO2 in the pore structures of deep underground rock formations during the sequestration process. Capillary trapping is considered the most promising trapping option for carbon sequestration. NMR techniques noninvasively monitor the drainage and imbibition of air, CO2, and supercritical CO2 with DI H2O at low capillary numbers in a Berea sandstone rock core under conditions representative of a deep underground saline aquifer. Supercritical CO2 was found to have a lower residual nonwetting (NW) phase saturation than that of air and CO2. Supercritical CO2 behaves differently than gas phase air or CO2 and leads to a reduction in capillary trapping. NMR relaxometry data suggest that the NW phase, i.e., air, CO2, or supercritical CO2, is preferentially trapped in larger pores. This is consistent with snap‐off conditions being more favorable in macroscale pores, as NW fluids minimize their contact area with the solid and hence prefer larger pores.
Heavy Metals
Authors: Aydın Ahmet Alper , Aydın Adnan 
Published: January 2016

AbstractHeavy metals in combustible materials such as fossil fuels, biomass, municipal and medical wastes, sewage sludges, and in industrial wastes such as slags, are important pollutants for the environment. The bottom ashes and fly ashes from the combustion and incineration processes contain heavy metals as enrichment products in significant ratios. Therefore, heavy‐metal enrichment after combustion and incineration processes have been extensively discussed in this chapter. The health effects of heavy metals are described, with special attention paid to safe use of the combustion and incineration residues and fly ashes. The utilization of residues and fly ashes in cement production, soil remediation, adsorption of different pollutants and heavy metal recovery are outlined, as well as the stabilization/solidification of ashes and slags.
False Memories for an Analogue Trauma: Does Thought Suppression Help or Hinder Memory Accuracy?
Authors: Oulton Jacinta M. , Strange Deryn , Takarangi Melanie K.T. 
Published: January 2016

SummaryIn the current study, we investigated whether suppression can produce an amplified memory for a traumatic experience. Participants viewed a distressing film depicting a multi‐fatality car accident. We broke the film down into several short clips, some of which were removed. After viewing the film, we instructed participants to (i) suppress and monitor film‐related thoughts, (ii) think freely and monitor film‐related thoughts or (iii) just think freely. Twenty‐four hours later, participants completed a recognition test. Memory distortion was comparable across conditions; however, suppression and monitoring of trauma‐related thoughts removed the typical bias to falsely remember the most critical and traumatic clips of the film over the least critical clips. Our data suggest that suppression may be effective in reducing trauma‐related cognitions and, therefore, does not predict a more ‘amplified’ memory for trauma. Instead, suppression and thought monitoring encourage an unbiased, although inaccurate, memory for trauma.Copyright © 2016 John Wiley & Sons, Ltd.
Catalysis by β‐Cyclodextrin Hydrate – Synthesis of 2,2‐Disubstituted 2H‐Chromenes in Aqueous Medium
Authors: Ghatak Avishek , Khan Sagar , Bhar Sanjay 
Published: January 2016

AbstractA cost‐effective, operationally simple and eco‐compatible protocol for the one‐pot synthesis of photochromic pyrans by the reaction of propargyl alcohols as well as propargyl ethers with differently substituted phenols under ambient atmosphere in aqueous medium has been developed using β‐cyclodextrin hydrate as an efficient, recyclable and stable catalyst. This is the first report where β‐cyclodextrin hydrate acted as a catalyst for an organic transformation but β‐cyclodextrin alone failed.magnified image
Synthesis of 3,3‐Disubstituted Oxindoles Containing a 3‐(4‐Aminobut‐2‐ynyl) Unit via Domino Heck–Sonogashira Reaction in Water
Authors: Wang Dong‐Chao , Wang Hai‐Xia , Hao Er‐Jun , Jiang Xiao‐Han , Xie Ming‐Sheng , Qu Gui‐Rong , Guo Hai‐Ming 
Published: January 2016

AbstractIn this study, palladium‐catalyzed domino Heck–Sonogashira reactions have been developed in water. Using this strategy, a series of 3‐(4‐aminobut‐2‐ynyl)oxindole derivatives with an all‐carbon quaternary center at the 3‐position were easily synthesized. The reactions provided products in excellent yields with a broad substrate tolerance. The target product was readily converted into a pharmaceutically active molecule, which is used as a 5‐HT7 receptor antagonist.magnified image
CH Functionalization/CO Bond Cleavage of Benzyl Silyl Ethers with Ynamides for the Chemoselective Synthesis of Skeletally Diverse Compounds
Authors: Chen Ling , Yu Lian , Deng Yuan , Zheng Zhan‐Jiang , Xu Zheng , Cao Jian , Xu Li‐Wen 
Published: January 2016

AbstractDescribed here is a practical carbocation‐initiated formal [3+2] or [4+2] cycloaddition reaction for the diversity‐oriented syntheses of 1‐amidoindenes and 2‐amido‐4H‐chromenes. The Lewis acid‐promoted annulation of ynamides and benzyl silyl ethers efficiently constructs 1‐amidoindenes via CH functionalization of benzyl silyl ethers. By utilization of o‐methoxybenzyl silyl ethers, 2‐amido‐4H‐chromenes are also constructed via CO bond cleavage of benzyl silyl ethers.magnified image
Direct Synthesis of Primary Amines via Ruthenium‐Catalysed Amination of Ketones with Ammonia and Hydrogen
Authors: Gallardo‐Donaire Joan , Ernst Martin , Trapp Oliver , Schaub Thomas 
Published: January 2016

AbstractA highly selective reductive amination of ketones to primary amines with ammonia and hydrogen using a simple ruthenium catalyst has been developed. The protocol described constitutes an efficient and direct atom‐economical approach en route to α‐methylbenzylamine derivatives in good to high yields. The presence of catalytic amounts of aluminum triflate turned out to be crucial for achieving high conversion towards primary amines.magnified image
Synthesis and Characterization of Poly[dimethylacrylamide‐co‐allyl acetoacetate] Grafted to Zinc Oxide Nanoparticles for Preconcentration and Determination of Cadmium Ions in Biological and Environmental Samples
Authors: Panahi Homayon Ahmad , Nasrollahi Sara , Fouladlou Somayeh , Moniri Elham 
Published: January 2016

ABSTRACTIn this paper, a method is designed for surface grafting of polymer containing a functional monomer for metal chelating, poly[dimethylacrylamide‐co‐allyl acetoacetate] (poly[DMAA‐co‐AA]) onto zinc oxide nanoparticles modified by 3‐mercaptopropyltrimethoxysilane. The resulting nanosorbent was characterized using Fourier transform infrared spectroscopy, elemental analysis, thermogravimetric analysis, scanning electron microscopy, and transmission electron microscopy. The preconcentration and determination of trace amount of Cd(II) ions was evaluated in human biological fluid, environmental water samples, and milk. The optimum pH value for sorption of the metal ion was 6. The sorption capacity of grafted sorbent was 46.1 mg g−1. A high recovery of Cd(II) ions was in the range of 95–103% with 1 M hydrochloric acid as eluting factor. The profile of cadmium uptake by the nanosorbent indicated high accessibility of active chelating sites in poly[DMAA‐co‐AA]‐grafted modified zinc oxide nanoparticles. The equilibrium adsorption data of Cd(II) by synthesized sorbent were investigated by Langmuir, Freundlich, Temkin, and Redlich–Peterson models.
Salivary but not blood cortisol excretion is associated with metabolic biomarkers in healthy young women
Authors: Konishi Shoko , O'Connor Kathleen A. 
Published: January 2016

ObjectivesElevated and suppressed concentrations of cortisol have been linked with less favorable metabolic biomarkers, such as elevated lipids and glycosylated hemoglobin (HbA1c). Based on recent work reporting that some individuals secrete more cortisol into saliva (high saliva‐to‐blood cortisol ratio; high secretors) than others after correcting for blood cortisol concentrations, our objectives were to examine (1) whether lipids and glycosylated hemoglobin varied across cortisol and salivary secretor status; and (2) if blood and saliva provide the same results with respect to metabolic markers.MethodsMatched saliva and dried blood spot (DBS) specimens collected once a week for four weeks (N = 48 healthy women, 192 specimens) were assayed for cortisol. Fasting blood specimens collected once from each woman were quantified for cholesterol (total, HDL, LDL), triglycerides and HbA1c.ResultsLow salivary cortisol secretors showed significantly higher triglyceride and HbA1c compared to high‐secretors (P<0.05; t‐test). The only significant correlation with mean blood or salivary cortisol concentration was a negative correlation between salivary cortisol and HbA1c (P = 0.021, r = −0.333).ConclusionsTriglycerides, HDL, and especially HbA1c were associated with salivary cortisol secretor status but not with DBS cortisol concentrations. These results suggest that blood and saliva cortisol measures might provide different health outcome information, and that salivary cortisol secretor status may provide additional information on health status. Am. J. Hum. Biol. 28:539–544, 2016. © 2016 Wiley Periodicals, Inc.
The Regioselectivity of Bingel–Hirsch Cycloadditions on Isolated Pentagon Rule Endohedral Metallofullerenes
Authors: Garcia‐Borràs Marc , Cerón Maira R. , Osuna Sílvia , Izquierdo Marta , Luis Josep M. , Echegoyen Luis , Solà Miquel 
Published: January 2016

AbstractIn this work, the Bingel–Hirsch addition of diethylbromomalonate to all non‐equivalent bonds of Sc3N@D3h‐C78 was studied using density functional theory calculations. The regioselectivities observed computationally allowed the proposal of a set of rules, the predictive aromaticity criteria (PAC), to identify the most reactive bonds of a given endohedral metallofullerene based on a simple evaluation of the cage structure. The predictions based on the PAC are fully confirmed by both the computational and experimental exploration of the Bingel–Hirsch reaction of Sc3N@D5h‐C80, thus indicating that these rules are rather general and applicable to other isolated pentagon rule endohedral metallofullerenes.
Spontaneous Capture of Carbohydrate Guests through Folding and Zipping of Self‐Assembled Ribbons
Authors: Shen Bowen , He Ying , Kim Yongju , Wang Yanqiu , Lee Myongsoo 
Published: January 2016

AbstractOne of the great challenges in molecular self‐assembly is how to confer self‐folding and closing characteristics on flat two‐dimensional structures in response to external triggers. Herein, we report a planar ribbon assembly that folds into closed tubules in response to fructose. The ribbons, ≈28 nm wide and 3.5 nm thick, consist of 8 laterally‐associated elementary fibrils in which disc‐shaped macrocycle amphiphiles are stacked along their axis. Upon addition of fructose, these flat structures spontaneously fold into closed tubules, with an outer diameter of ≈8 nm, through zipping of the two sides of the ribbons. Notably, the folding and then zipping of the flat ribbons is accompanied by spontaneous capture of the fructose molecules inside the tubular cavities.
Single Lithium‐Ion Conducting Polymer Electrolytes Based on a Super‐Delocalized Polyanion
Authors: Ma Qiang , Zhang Heng , Zhou Chongwang , Zheng Liping , Cheng Pengfei , Nie Jin , Feng Wenfang , Hu Yong‐Sheng , Li Hong , Huang Xuejie , Chen Liquan , Armand Michel , Zhou Zhibin 
Published: January 2016

AbstractA novel single lithium‐ion (Li‐ion) conducting polymer electrolyte is presented that is composed of the lithium salt of a polyanion, poly[(4‐styrenesulfonyl)(trifluoromethyl(S‐trifluoromethylsulfonylimino)sulfonyl)imide] (PSsTFSI−), and high‐molecular‐weight poly(ethylene oxide) (PEO). The neat LiPSsTFSI ionomer displays a low glass‐transition temperature (44.3 °C; that is, strongly plasticizing effect). The complex of LiPSsTFSI/PEO exhibits a high Li‐ion transference number (tLi+=0.91) and is thermally stable up to 300 °C. Meanwhile, it exhibits a Li‐ion conductivity as high as 1.35×10−4 S cm−1 at 90 °C, which is comparable to that for the classic ambipolar LiTFSI/PEO SPEs at the same temperature. These outstanding properties of the LiPSsTFSI/PEO blended polymer electrolyte would make it promising as solid polymer electrolytes for Li batteries.
Combining Metabolic Engineering and Electrocatalysis: Application to the Production of Polyamides from Sugar
Authors: Suastegui Miguel , Matthiesen John E. , Carraher Jack M. , Hernandez Nacu , Rodriguez Quiroz Natalia , Okerlund Adam , Cochran Eric W. , Shao Zengyi , Tessonnier Jean‐Philippe 
Published: January 2016

AbstractBiorefineries aim to convert biomass into a spectrum of products ranging from biofuels to specialty chemicals. To achieve economically sustainable conversion, it is crucial to streamline the catalytic and downstream processing steps. In this work, a route that combines bio‐ and electrocatalysis to convert glucose into bio‐based unsaturated nylon‐6,6 is reported. An engineered strain of Saccharomyces cerevisiae was used as the initial biocatalyst for the conversion of glucose into muconic acid, with the highest reported muconic acid titer of 559.5 mg L−1 in yeast. Without any separation, muconic acid was further electrocatalytically hydrogenated to 3‐hexenedioic acid in 94 % yield despite the presence of biogenic impurities. Bio‐based unsaturated nylon‐6,6 (unsaturated polyamide‐6,6) was finally obtained by polymerization of 3‐hexenedioic acid with hexamethylenediamine.
Determination of the Absolute Configuration of the Pseudo‐Symmetric Natural Product Elatenyne by the Crystalline Sponge Method
Authors: Urban Sylvia , Brkljača Robert , Hoshino Manabu , Lee Shoukou , Fujita Makoto 
Published: January 2016

AbstractElatenyne is a marine natural product that was isolated in 1986. Despite its simple 2,2′‐bifuranyl backbone, its relative structure was only recently determined. The absolute configuration of elatenyne has still not been unequivocally confirmed because of its pseudo‐meso core structure, which results in a specific rotation, [α]D , of almost zero. In this work, the structure of natural elatenyne was determined by the crystalline sponge method and the use of a porous coordination network (a crystalline sponge) capable of absorbing organic guests; in the sponge, the absorbed guests are ordered and crystallographically observable. The crystalline sponge could differentiate between the two very similar alkyl side chains, and the absolute structure of elatenyne was thus reliably determined. The total amount required for the experiments was only approximately 100 μg, and the majority (95 μg) could be recovered after the experiments.
Refoldable Foldamers: Global Conformational Switching by Deletion or Insertion of a Single Hydrogen Bond
Authors: Le Bailly Bryden A. F. , Byrne Liam , Clayden Jonathan 
Published: January 2016

AbstractSmall changes in the structure of a foldamer may lead to gross changes in conformational preference. We show that the simple insertion or deletion of a single hydrogen bond by changes in pH or by photochemical deprotection is sufficient to refold a helical oligomer, interconverting M and P screw‐sense preference. As a consequence of the switch, information may be transmitted to a remote catalytic site, selectively directing the formation of either of two enantiomeric products by a reaction involving 1,22‐remote intermolecular asymmetric induction.
Practical Direct α‐Arylation of Cyclopentanones by Palladium/Enamine Cooperative Catalysis
Authors: Xu Yan , Su Tianshun , Huang Zhongxing , Dong Guangbin 
Published: January 2016

AbstractDirect arylation of cyclopentanones has been a long‐standing challenge because of competitive self‐aldol condensation and multiple arylations. Reported herein is a direct mono‐α‐C−H arylation of cyclopentanones with aryl bromides which is enabled by palladium/amine cooperative catalysis. This method is scalable and chemoselective with broad functional‐group tolerance. Application to controlled sequential arylation of cyclopentanones has been also demonstrated.
Enantioselektive Totalsynthese der Terreumole A und C aus dem Pilz Tricholoma terreum
Authors: Frichert Alex , Jones Peter G. , Lindel Thomas 
Published: January 2016

AbstractErstmals gelang die enantioselektive Totalsynthese der cytotoxischen Meroterpenoide Terreumol A und C aus dem Gemeinen Erd‐Ritterling Tricholoma terreum. Schlüsselschritt ist der Aufbau des zehngliedrigen Rings durch Olefinmetathese zur trisubstituierten Z‐Doppelbindung des [8.4.0]‐Bicyclus, die nur in Abwesenheit freier Hydroxygruppen gelang. (−)‐Terreumol C wurde vollständig diastereoselektiv in das Bisepoxid (−)‐Terreumol A überführt, das somit ausgehend von 2‐Brom‐3,4‐dimethoxybenzaldehyd in 14 Stufen und einer Gesamtausbeute von 23 % erhalten wurde. Eine Röntgenstrukturanalyse des p‐Benzochinon‐Analogons von (−)‐Terreumol A bestätigt die absolute Konfiguration der Naturstoffe.
Unified Total Synthesis of 3‐epi‐Ryanodol, Cinnzeylanol, Cinncassiols A and B, and Structural Revision of Natural Ryanodol and Cinnacasol
Authors: Koshimizu Masaki , Nagatomo Masanori , Inoue Masayuki 
Published: January 2016

AbstractRyanodane diterpenoids structurally share an extremely complex fused ring system, but differ in the substitution patterns of the hydroxy groups. Since these congeners exhibit various biologically important functions, their efficient chemical constructions have been greatly anticipated. We previously accomplished the total synthesis of ryanodine (1) using pentacycle 8 as the advanced intermediate. Here, we report the unified total syntheses of four distinct diterpenoids, 3‐epi‐ryanodol (3), cinnzeylanol (4), cinncassiols B (5), and A (6), from 8, all within 10 steps. A series of highly optimized chemo‐ and stereoselective reactions and protecting‐group manipulations enabled assembly of the densely oxygenated structures of 3–6. Furthermore, the present synthetic studies established the C13S stereochemisty of 5–7 and revised the proposed structures of natural ryanodol (2) and cinnacasol (7) to be those of 3 and 6, respectively.
Direct Catalytic Synthesis of Unprotected 2‐Amino‐1‐Phenylethanols from Alkenes by Using Iron(II) Phthalocyanine
Authors: Legnani Luca , Morandi Bill 
Published: January 2016

AbstractAryl‐substituted amino alcohols are privileged scaffolds in medicinal chemistry and natural products. Herein, we report that an exceptionally simple and inexpensive FeII complex efficiently catalyzes the direct transformation of simple alkenes into unprotected amino alcohols in good yield and perfect regioselectivity. This new catalytic method was applied in the expedient synthesis of bioactive molecules and could be extended to aminoetherification.
Metal–Metal Interactions in Heterobimetallic Complexes with Dinucleating Redox‐Active Ligands
Authors: Broere Daniël L. J. , Modder Dieuwertje K. , Blokker Eva , Siegler Maxime A. , van der Vlugt Jarl Ivar 
Published: January 2016

AbstractThe tuning of metal–metal interactions in multinuclear assemblies is a challenge. Selective P coordination of a redox‐active PNO ligand to AuI followed by homoleptic metalation of the NO pocket with NiII affords a unique trinuclear Au–Ni–Au complex. This species features two antiferromagnetically coupled ligand‐centered radicals and a double intramolecular d8–d10 interaction, as supported by spectroscopic, single‐crystal X‐ray diffraction, and computational data. A corresponding cationic dinuclear Au–Ni analogue with a stronger d8–d10 interaction is also reported. Although both heterobimetallic structures display rich electrochemistry, only the trinuclear Au–Ni–Au complex facilitates electrocatalytic C−X bond activation of alkyl halides in its doubly reduced state. Hence, the presence of a redox‐active ligand framework, an available coordination site at gold, and the nature of the nickel–gold interaction appear to be essential for this reactivity.
Structurally Defined αMHC‐II Nanobody–Drug Conjugates: A Therapeutic and Imaging System for B‐Cell Lymphoma
Authors: Fang Tao , Duarte Joao N. , Ling Jingjing , Li Zeyang , Guzman Jonathan S. , Ploegh Hidde L. 
Published: January 2016

AbstractAntibody–drug conjugates (ADCs) of defined structure hold great promise for cancer therapies, but further advances are constrained by the complex structures of full‐sized antibodies. Camelid‐derived single‐domain antibody fragments (VHHs or nanobodies) offer a possible solution to this challenge by providing expedited target screening and validation through switching between imaging and therapeutic activities. We used a nanobody (VHH7) specific for murine MHC‐II and rendered “sortase‐ready” for the introduction of oligoglycine‐modified cytotoxic payloads or NIR fluorophores. The VHH7 conjugates outcompeted commercial monoclonal antibodies (mAbs) for internalization and exhibited high specificity and cytotoxicity against A20 murine B‐cell lymphoma. Non‐invasive NIR imaging with a VHH7–fluorophore conjugate showed rapid tumor targeting on both localized and metastatic lymphoma models. Subsequent treatment with the nanobody–drug conjugate efficiently controlled tumor growth and metastasis without obvious systemic toxicity.
Selective Multiamination of C70 Leading to Curved π Systems with 60, 58, 56, and 50 π Electrons
Authors: Li Yanbang , Xu Dan , Gan Liangbing 
Published: January 2016

AbstractSecondary aliphatic amines add to a pole pentagon of [70]fullerene in the presence of N‐fluorobenzenesulfonimide to form cyclopentadienyl‐type adducts, C70(NSO2Ph)(NR1R2)4 (1), which can be converted into analogous C70 derivatives such as C70(NHSO2Ph)(NHTol)5 (2). Further addition reactions of either 1 or 2 take place selectively at the opposite pole pentagon of the C70 cage, thus forming curved π systems with a reduced number of π electrons, and the products include a dodecakis‐adduct with a Vögtle belt motif.
Synthesis and characterization of fluorine‐containing polyurethane–acrylate core–shell emulsion
Authors: Zhao Meng , Li Hui , Wen Lefei , Yu Zitian , Zhang Shuo , Han Zhewen 
Published: January 2016

ABSTRACTFluorinated polyurethane–acrylate (FPUA) hybrid emulsion was prepared by copolymerization of polyurethane, methyl methacrylate, and 1H,1H,2H,2H‐heptadecafluorooctyl acrylate (FA) via emulsion polymerization in the presence of a perfluoronated reactive surfactant. The polyurethane was synthesized from isophorone diisocyanate, poly(propylene glycol)‐1000, dimethylolpropionic acid, 1,4‐butanediol, and 2‐hydroxyethyl methylacrylate. The influence of the monomer on the surface properties, wetting behaviors, particle size, and viscosity of the emulsion was investigated. The mechanical properties of FPUA latex films were improved, and water absorption and contact angle were improved with the addition of methyl methacrylate and FA. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2016,133, 43357.