bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Planar Blatter Radical: Structural Chemistry of 1,4‐Dihydrobenzo[e][1,2,4]triazin‐4‐yls
Authors: Kaszyński Piotr , Constantinides Christos P. , Young Victor G. 
Published: August 2016

AbstractTwo planarized analogues of the prototypical Blatter radical (1), peri‐annulated 1S and 1O, are demonstrated and provide a new platform for molecular and supramolecular engineering, and for tuning electronic and magnetic properties of the radical. Planarization of 1 results in bathochromic shift to the near‐IR region, greater spin delocalization, and anodic shift of the reduction potential only for 1S. Magnetization studies revealed nearly ideal paramagnetic behavior at high temperatures for both radicals 1S and 1O with one‐dimensional ferromagnetic interaction in the former (2J=14.4 cm−1) and antiferromagnetic interactions in 1O at low temperatures.
Diverse Reactivity of an Electrophilic Phosphasilene towards Anionic Nucleophiles: Substitution or Metal–Amino Exchange
Authors: Willmes Philipp , Junk Lukas , Huch Volker , Yildiz Cem B. , Scheschkewitz David 
Published: August 2016

AbstractThe reaction of MesLi (Mes=2,4,6‐trimethylphenyl) with the electrophilic phosphasilene R2(NMe2)Si‐RSi=PNMe2(2, R=Tip=2,4,6‐triisopropylphenyl) cleanly affords R2(NMe2)Si‐RSi=PMes and thus provides the first example of a substitution reaction at an unperturbed Si=P bond. In toluene, the reaction of2with lithium disilenide, R2Si=Si(R)Li (1), apparently proceeds via an initial nucleophilic substitution step as well (as suggested by DFT calculations), but affords a saturated bicyclo[1.1.0]butane analogue as the final product, which was further characterized as its Fe(CO)4complex. In contrast, in 1,2‐dimethoxyethane the reaction of1with2results in an unprecedented metal–amino exchange reaction.
Efficient Room‐Temperature Activation of Methane by TaN+ under C−N Coupling
Authors: Zhou Shaodong , Li Jilai , Schlangen Maria , Schwarz Helmut 
Published: August 2016

AbstractThe thermal reaction of diatomic tantalum nitride cation [TaN]+ with methane has been explored using FT‐ICR mass spectrometry complemented by high‐level quantum chemical calculation; based on this combined experimental/computational approach, mechanistic aspects of this novel, highly efficient C−N coupling process have been uncovered. In distinct contrast to [TaN]+, its lighter congeners [VN]+ and [NbN]+ are inert towards methane under ambient conditions, and the origins of the remarkably variable efficiencies of the three metal nitrides are uncovered by CCSD(T) calculations.
Multiporous microstructure for enhancing the water absorption and swelling rate in poly(sodium acrylic acid) superabsorbent hydrogels based on a novel physical and chemical composite foaming system
Authors: Chen Si , Zhou Bo , Ma Meng , Wu Bozhen , Shi Yanqin , Wang Xu 
Published: August 2016

ABSTRACTIn this article, we report a novel physical and chemical composite foaming system, which was used to successfully prepare high‐performance and low‐cost composite superabsorbent [poly(sodium acrylic acid) (PAA–Na)] hydrogels based on acrylic acid by free‐radical polymerization in a water bath under a nitrogen atmosphere without the use of any organic solvents. The prepared hydrogels showed superabsorbent properties, high water‐absorption abilities and swelling rates, a lighter packing density, and a multiporous microstructure. Fourier transform infrared spectroscopy and scanning electron microscopy revealed that the sodium dodecyl sulfate surfactant, sodium bicarbonate chemical foaming agent, and 1,1,2‐trifluorotrichloroethane physical foaming agent were evenly distributed and grafted onto the PAA–Na matrix. Water‐absorption, swelling rate, and packing density testing confirmed that the superabsorbent had a high water‐absorption ability and swelling rate and a lighter packing density. Furthermore, we investigated the effects of different foaming agents, including chemical and physical foaming agents, on the swelling and water‐retention capabilities of the superabsorbent hydrogels (SAHs).The results show that the combination of these foaming agents significantly improved the water‐absorbing capacity. With the help of these foaming agents, we obtained PAA–Na hydrogels without any organic solvents for posttreatment or special porogens; this is an environmentally beneficial way to prepare SAHs for hygiene and biomedical products. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44149.
Polyurethane foams from oligomers derived from waste tire crumbs and polycaprolactone diols
Authors: Rattanapan Suwat , Pasetto Pamela , Pilard Jean‐François , Tanrattanakul Varaporn 
Published: August 2016

ABSTRACTThis work was an initial study on the synthesis of polyurethane foams (PUF) by using diols obtained from the controlled degradation of waste tire crumbs and from polycaprolactone (PCL) followed by examination of their biodegradability. Natural rubber (NR, cis−1,4 polyisoprene) and butadiene rubber (BR) chains contained in waste tire crumbs were chemically modified into carbonyl telechelic (CTWT) and successively into hydroxyl telechelic oligomers (HTWT). Four types of PUF were prepared with different molar ratios between the HTWT and the PCL diols. CTWT and HTWT were analyzed by 1H‐NMR, SEC, and FT‐IR to confirm their chemical structure. Formation of the urethane bond was demonstrated by FT‐IR spectra. The addition of the PCL diol increased the thermal degradation temperature of the PUF based on thermogravimetric analysis. According to scanning electron microscopy, polyhedral closed cells were obtained. The molar ratio of HTWT/PCL diols strongly affected the kinetic rate of foam formation and foam morphology. A low kinetic rate provided PUF with a high density, small cell size, and a broad cell size distribution. In order to assess biodegradation of PUF, the modified Sturm test was carried out for 60 days at ambient temperature (27–30 °C). The biodegradation of PUF containing only HTWT was 31.2% and 51.3% at 28 days and 60 days of testing, respectively whereas the PUF containing 1/0.5 HTWT/PCL diols (by mole) showed a higher biodegradation: 39.1% and 64.3% at 28 days and 60 days of testing respectively. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44251.
A Novel Trihybrid Material Based on Renewables: An Efficient Recyclable Heterogeneous Catalyst for C−C Coupling and Reduction Reactions
Authors: Majumdar Rakhi , Tantayanon Supawan , Gopal Bag Braja 
Published: August 2016

AbstractThe generation of organic–inorganic hybrid materials from renewable resources and their utilization in basic and applied areas has been at the forefront of research in recent years for sustainable development. Herein, a novel organic–inorganic trihybrid material was synthesized by in situ generation of palladium nanoparticles (PdNPs) in a hybrid gel matrix based on renewable chemicals. Constituents of the hybrid gel included a pentacyclic triterpenoid arjunolic acid extractable from Terminalia arjuna and the leaf extract of Chrysophyllum cainito rich in flavonoids. We took advantage of the presence of flavonoid molecules in this hybrid gel to generate an advanced trihybrid gel through in situ reduction of doped PdII salts to stable PdNPs. The xerogel of this trihybrid material was used as a recyclable heterogeneous catalyst for C−C coupling and reduction reactions in aqueous media. We also demonstrated that the in situ generated PdNPs containing trihybrid material was a more efficient catalyst than the trihybrid material generated with presynthesized PdNPs.
Holzbrücken – Erkenntnisse zum Feuchteverhalten in den Tragquerschnitten aus Langzeitmessungen
Authors: Franke Bettina , Müller Andreas , Simon Antje 
Published: August 2016

AbstractDie Leistungsfähigkeit von Holz im Brückenbau ist durch zahlreiche Konstruktionen weltweit belegt. Gegenüber Holz sind aktuell noch Hemmnisse bei den Straßenbaubehörden und Planern vorhanden, die die Anzahl der Projekte beschränken. Die infolge des variierenden Klimas respektive der Holzfeuchteänderung resultierenden Eigenspannungen im Querschnitt wurden bisher vorwiegend unter Laborbedingungen untersucht. Die Untersuchungen ergaben, dass die Holzfeuchte sich über den Querschnitt unterschiedlich stark ändert, was zu internen Spannungen führt. Die Diskussion über zuverlässige Ansätze für die Beurteilung der sich ausbildenden Eigenspannungen in Brückenquerschnitten ist stetig. Erste Empfehlungen liefern die gewonnenen Erkenntnisse zum Feuchteverhalten aus sieben über mehrere Jahre überwachten Straßenbrücken. In allen Konstruktionen wurde der Holzfeuchtegehalt in Beziehung zum vorherrschenden lokalen Klima erfasst. Die Einflüsse aus dem lokalen Klima sind nicht zu vernachlässigen. Positiv ist, dass die gemessenen Holzfeuchten geringer sind als die aus den Daten der nahe liegenden Wetterstation resultierende Ausgleichsfeuchte. Die Auswertung der Feuchtegradienten im Querschnitt lässt eine Abgrenzung zwischen einer ruhigen und beanspruchten Querschnittszone erkennen.
Race for Power in Public Good Games with Unequal, Unstable Punishment Power
Authors: Dorrough Angela , Glöckner Andreas , Lee Borah 
Published: August 2016

AbstractDecentralized punishment can maintain contributions to a public good at a high level. This positive effect holds even for situations involving inequality in punishment power, meaning that the relative costs for punishment differ between persons. We extend this line of research by examining the additional influence of instability of and thus potential competition for punishment power in public good experiments. As in previous research, inequality is operationalized by assigning the role of a ‘strong player’ to one group member, who can punish others at a reduced cost compared to other players. Instability is operationalized by the fact that the role assignment can change across rounds and is contingent on behavior in previous rounds. Three experiments show that under unequal, unstable (punishment‐) power, individuals behave more competitively and engage in arace for powerresulting in detrimental effects for the group. Specifically, we find that (i) unstable power goes along with a disproportionate use of punishment; (ii) not inequality by itself but rather the combination of instability and inequality causes this effect; and (iii) this excessive use of punishment is found not only when the role of the strong player is assigned to individuals who previously behaved rather selfishly but also when prosocial behavior leads to the top, speaking for a generalizability of our findings. Implications for organizational settings are discussed. Copyright © 2016 John Wiley & Sons, Ltd.
Congenital abnormalities in newborns of women with pregestational diabetes: A time‐trend analysis, 1994 to 2009
Authors: Agha Mohammad M. , Glazier Richard H. , Moineddin Rahim , Booth Gillian 
Published: August 2016

BackgroundThe main objective of the current study is to examine the trend of congenital abnormalities among children born by women with and without diabetes, and to explore the impact of food fortification by folic acid on the rate of birth defects among these two groups of mothers.MethodsAll children born alive in Ontario, Canada, during 1994 to 2009 and their mothers were included in study. Diagnosis of pregestational diabetes among mothers was identified using Diabetes registry, and diagnosis of birth defects among children were identified using hospital records.ResultsThe prevalence of births among diabetic mothers increased by almost 200% during the study period. Among children born to mothers with diabetes, the prevalence for all anomalies combined was approximately 47% higher and for various cardiac and central nervous system anomalies up to a three‐ to fivefold higher than those born to nondiabetic mothers. While the rate of birth defects in both groups observed a considerable decline after food fortification in 1999, but the gap between two groups remained unchanged over time.ConclusionWhile the prevalence of birth defects among diabetic pregnancies is still considerably higher that nondiabetic pregnancies, results of the current study indicate a declining trend in the prevalence of some congenital abnormalities among babies born to both diabetic and nondiabetic mothers after 1999. We need to be more aggressive in implementing preventive measures, including a national diabetes plan or the proposed universal policy of supra‐dietary folic acid supplementation for women with diabetes who are of reproductive age. Birth Defects Research (Part A) 106:831–839, 2016. © 2016 Wiley Periodicals, Inc.
Aqueous synthesis of highly stable CdTe/ZnS Core/Shell quantum dots for bioimaging
Authors: Saikia D. , Chakravarty S. , Sarma N. S. , Bhattacharjee S. , Datta P. , Adhikary N. C. 
Published: August 2016

AbstractIn this work, we report the synthesis, characterization and biological application of highly stable CdTe/ZnS (cadmium tellurite/zinc sulphide) Core/Shell (CS) quantum dots (QDs) capped with mercaptosuccinic acid (MSA). The CS QDs were synthesized using a simple one‐pot aqueous method. The synthesized CdTe/ZnS CS QDs were found to exhibit excellent stability even 100 days after preparation and also showed better photoluminescence quantum yield (PLQY) of about 50% compared with that of only CdTe QDs which was nearly 12%. The formation of the CdTe/ZnS CS was confirmed by high‐resolution transmission electron microscopy (HR‐TEM), and Fourier transform infra‐red (FTIR) and X‐ray diffraction (XRD) analyses. Further, on extending our study towards bioimaging of E. coli cells using the QDs samples, we found that CdTe/ZnS CS QDs showed better results compared with CdTe QDs.
Radiofrequency ablation compared with laparoscopic adrenalectomy for aldosterone-producing adenoma
Authors: Liu S Y , Chu C M , Kong A P , Wong S K , Chiu P W , Chow F C , Ng E K 
Published: August 2016

Abstract

Background
Radiofrequency ablation (RFA) is an emerging treatment for primary aldosteronism owing to aldosterone-producing adenoma. Whether RFA could be an alternative treatment to laparoscopic adrenalectomy is unknown.

Methods
This was a retrospective comparative study in patients with aldosterone-producing adenoma undergoing either laparoscopic adrenalectomy or CT-guided percutaneous RFA between 2004 and 2012. Short-term outcomes and long-term resolution rates of primary aldosteronism (normalized aldosterone to renin ratio), hypokalaemia and hypertension (BP lower than 140/90 mmHg without antihypertensive medical therapy) were evaluated.

Results
Some 63 patients were included, 27 in the laparoscopic adrenalectomy group and 36 in the RFA group. RFA was associated with shorter duration of operation (median 12 versus 124 min; P &lt; 0·001), shorter hospital stay (2 versus 4 days; P &lt; 0·001), lower analgesic requirements (13 of 36 versus 23 of 27 patients; P &lt; 0·001) and earlier resumption of work (median 4 versus 14 days; P = 0·006). Morbidity rates were similar in the two groups. With median follow-up of 5·7 (range 1·9–10·6) years, resolution of primary aldosteronism was seen in 33 of 36 patients treated with RFA and all 27 patients who had laparoscopic adrenalectomy (P = 0·180). Hypertension was resolved less frequently after treatment with RFA compared with laparoscopic adrenalectomy (13 of 36 versus 19 of 27 patients; P = 0·007). Hypokalaemia was resolved in all patients.

Conclusion
For patients with aldosterone-producing adenoma the efficacy of resolution of primary aldosteronism and hypertension was inferior after treatment with RFA compared with laparoscopic adrenalectomy.
Application of Cookson‐type reagents for biomedical HPLC and LC/MS analyses: a brief overview
Authors: Higashi Tatsuya , Shimada Kazutake 
Published: August 2016

AbstractHigh‐performance liquid chromatography (HPLC), LC/mass spectrometry (MS) and LC/tandem mass spectrometry (MS/MS) have been widely used for biomedical analyses, in which chemical derivatization is one of the most important methods to increase the sensitivity and selectivity. A Cookson‐type reagent [4‐substituted‐1,2,4‐triazoline‐3,5‐dione (4‐substituted‐TAD)] reacts with the compound bearing a conjugated diene, such as the vitamin D compound, to quantitatively form the stable Diels–Alder adduct. The reagent with a chromophore or fluorophore at the 4‐position of TAD yields a highly responsive adduct for the UV or fluorescence detection, respectively. The Diels–Alder adduct with a Cookson‐type reagent having a permanently charged, proton‐affinitive or electron‐affinitive moiety is sensitively detected by a specific MS analyzer. This paper is a brief overview of the applications of the reagents for biomedical analyses mainly using HPLC or LC/MS(/MS).
A Cobalt‐Based Film for Highly Efficient Electrocatalytic Water Oxidation in Neutral Aqueous Solution
Authors: Chen Hu , Gao Yan , Sun Licheng 
Published: August 2016

AbstractA cobalt‐based film (Co‐Hi) for water oxidation was prepared in 2‐[4‐(2‐hydroxyethyl)piperazin‐1‐yl]ethanesulfonic acid buffer at pH 7.0 through a unique cyclic voltammetry electrodeposition method by applying a wide scan range from 1.40 to −1.00 V versus normal hydrogen electrode (NHE). This catalyst film displayed highly efficient activity during oxygen evolution in neutral aqueous solution. An impressive current density of more than 1.5 mA cm−2 that was stable over a prolonged time period was obtained with a remarkably low onset overpotential of 230 mV in 0.1 m phosphate buffer (pH 7.0).
A bootstrap‐based method for optimal design of experiments
Authors: Paquet‐Durand O. , Zettel V. , Hitzmann B. 
Published: August 2016

Bootstrapping can be used for the estimation of parameter variances, and it is straightforward to be implemented but computationally demanding compared with other methods for parameter error estimation. It is not bound to any restrictions such as the distribution of measurement errors. And because of the possible asymmetry of the probability densities of the parameters, the parameter estimation errors acquired by bootstrapping are likely to be more accurate.In this work the feasibility of a bootstrap‐based method for optimal experimental design was evaluated for the Peleg model. The optimal design was performed, based on the Cramér‐Rao lower bound as a benchmark. Afterwards, the optimal design was calculated based on the bootstrap method.It is demonstrated that a bootstrap‐based optimal design of experiments will give comparable results with the Cramér‐Rao lower bound optimal designs, however with slightly different measurement points in time. If the parameter errors obtained from both optimal experimental designs are compared, they deviate for the 2 methods on average by 1.5%.Bootstrapping can be used for problems, which cannot be solved using Cramér‐Rao lower bound because of necessary but invalid assumptions. However, the benefits of the bootstrap method come at the cost of a significant increase in computational effort. Under similar conditions, the computation time for a bootstrap‐based optimal design was 25 minutes compared with 5 seconds when using the Cramér‐Rao lower bound method. As computers get faster and faster over time, the increase in computational demand will probably become less relevant in the future.
Cobalt Carbonate Hydroxide Nanowire Array on Ti Mesh: An Efficient and Robust 3D Catalyst for On‐Demand Hydrogen Generation from Alkaline NaBH4 Solution
Authors: Cui Liang , Sun Xuping , Xu Yuanhong , Yang Wenrong , Liu Jingquan 
Published: August 2016

AbstractIn this work, for the first time, a cobalt carbonate hydroxide (Co(CO3)0.5(OH)⋅0.11 H2O) nanowire array on Ti mesh (CHNA/Ti) was applied to drive the dehydrogenation of alkaline NaBH4 solution for on‐demand hydrogen production. Compared with other nanostructured Co‐based catalyst systems, CHNA/Ti can be activated more quickly and separated easily from fuel solutions. This self‐supported cobalt salt nanowire array catalyst works as an efficient and robust 3D catalyst for the hydrolysis reaction of NaBH4 with a hydrogen generation rate of 4000 mL min−1 gCo−1 and a low apparent activation energy of 39.78 kJ mol−1 and offers an attractive system for on‐demand hydrogen generation.
ChemInform Abstract: The Flexibility of P2O7 Dimers in Soft Structures: M2CdP2O7 (M: Rb, Cs).
Authors: Dong Xiaoyu , Shi Yunjing , Zhang Mingjie , Chen Zhaohui , Jing Qun , Yang Yun , Pan Shilie , Yang Zhihua , Li Hongyi 
Published: August 2016

AbstractThe new compounds Rb2CdP2O7 (I) and Cs2CdP2O7 (II) are prepared by calcination of stoichiometric mixtures of Rb2CO3 (Cs2CO3), CdO, and NH4H2PO4 (650 °C, 72 h).
ChemInform Abstract: An Octanuclear MnIII4DyIII4 Cluster Connected via Two μ5‐NO3‐ Bridges with Slow Relaxation of Magnetization.
Authors: Wang Feng , Peng Hua , Ding Yu 
Published: August 2016

AbstractDark brown crystals of [Mn4Dy4(mbm)14 (μ5‐NO3)2 (μ‐NO3)2(MeOH)2] (NO3)6·12H2O (mbm: (1‐methyl‐benzoimidazol‐2‐yl)methanolate) are obtained from 1:2 solutions of MeOH/MeCN containing Mn(ClO4)2, Dy(NO3)2, Hmbm, and triethylamine (25 °C, 14 d, 35% yield).
ChemInform Abstract: 3,6‐Di(pyridin‐2‐yl)‐1,2,4,5‐tetrazine (pytz) Mediated Metal‐Free Mild Oxidation of Thiols to Disulfides in Aqueous Medium.
Authors: Samanta Suvendu , Ray Shounak , Ghosh Abhisek Brata , Biswas Papu 
Published: August 2016

AbstractA wide range of aromatic, aliphatic, and heterocyclic thiophenols are converted to the corresponding disulfides by a highly efficient metal free oxidation under neutral conditions.
ChemInform Abstract: N‐Picolinamides as Ligands for Ullmann‐Type C—N Coupling Reactions.
Authors: Damkaci Fehmi , Alawaed Abdulkhaliq , Vik Erik 
Published: August 2016

AbstractThe picolinamide ligand (NPP) in combination with Cu2O efficiently catalyzes the C—N coupling reaction between N‐heteroaryls and aryl halides or benzyl bromides.
ChemInform Abstract: Oxidative Trifluoromethylthiolation and Thiocyanation of Amines: A General Approach to N—S Bond Formation.
Authors: Xiong Heng‐Ying , Pannecoucke Xavier , Besset Tatiana 
Published: August 2016

AbstractA practical and efficient one‐pot oxidative trifluoromethylthiolation of primary and secondary amines under mild conditions is presented.
ChemInform Abstract: Copper‐Catalyzed Radical Coupling of 1,3‐Dicarbonyl Compounds with Terminal Alkenes for the Synthesis of Tetracarbonyl Compounds.
Authors: Zhang Mei‐Na , Zhao Mi‐Na , Chen Ming , Ren Zhi‐Hui , Wang Yao‐Yu , Guan Zheng‐Hui 
Published: August 2016

AbstractVarious functional groups are tolerated and only atmospheric air is used as oxidant.
ChemInform Abstract: Tunable Di‐ and Mono‐γ‐C—H Arylation of Phenylacetamides by Palladium‐Catalyzed Domino Reactions.
Authors: Liu Yunyun , Huang Bin , Cao Xiaoji , Wan Jie‐Ping 
Published: August 2016

AbstractA selective ortho‐arylation of phenylacetamides is realized by a domino process consisting of installation of an in‐situ generated directing group and C—H arylation.
ChemInform Abstract: Three‐Component Access to 2‐Pyrrolin‐5‐ones and Their Use in Target‐Oriented and Diversity‐Oriented Synthesis.
Authors: Cores Angel , Estevez Veronica , Villacampa Mercedes , Menendez J. Carlos 
Published: August 2016

AbstractNew 2‐pyrrolin‐5‐ones (IV) are prepared by Hantzsch—type microwave‐assisted, solvent‐free sequential three‐component reaction of primary amines, β‐carbonyl compounds, and α‐bromoester and utilized e.g. as synthetic building blocks in a target‐oriented project for the synthesis of compound (VI) that is postulated as a candidate for HIV increase inhibition on the basis of computational studies.
ChemInform Abstract: The Pentadehydro‐Diels—Alder Reaction.
Authors: Wang Teng , Naredla Rajasekhar Reddy , Thompson Severin K. , Hoye Thomas R. 
Published: August 2016

AbstractA new class of reaction is presented: the formal [4 + 2] cycloaddition of an allenyne moiety with a pendant alkyne or nitrile function to produce an α,3‐dehydro(aza)toluene intermediate of type (II), formed in the so‐called PDDA title reaction.