bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Extremely Porous Hydrogen‐Bonded Framework Composed of d‐Penicillaminato CoIII2AuI3 Complex Anions and Aqua Cobalt(II) Cations: Formation and Stepwise Structural Transformation
Authors: Surinwong Sireenart , Yoshinari Nobuto , Yotnoi Bunlawee , Konno Takumi 
Published: December 2015

AbstractA unique example of a hydrogen‐bonded ionic solid with a porosity of 80 %, [Co(H2O)6]3[Co2Au3(d‐pen‐N,S)6]2 (1; d‐H2pen=d‐penicillamine), composed of [Co(H2O)6]2+ cations and [Co2Au3(d‐pen‐N,S)6]3− anions, is reported. Solid 1 was kinetically produced and was then transformed stepwise into two more thermodynamically stable solids with lower porosities, [Co(H2O)4][Co(H2O)6]2[Co2Au3(d‐pen‐N,S)6]2 (2) and [Co(H2O)4]3[Co2Au3(d‐pen‐N,S)6]2 (3), through the coordination of the free carboxylate groups in [Co2Au3(d‐pen‐N,S)6]3− to CoII centers. Solids 1–3 were structurally characterized, and the selective adsorption of small molecules into their pores was investigated.
Unraveling the Aging Skein: Disentangling Sensory and Cognitive Predictors of Age‐related Differences in Decision Making
Authors: Del Missier Fabio , Hansson Patrik , Parker Andrew M. , Bruine de Bruin Wändi , Nilsson Lars‐Göran , Mäntylä Timo 
Published: December 2015

AbstractAge‐related differences in sensory functioning, processing speed, and working memory have been identified as three significant predictors of the age‐related performance decline observed in complex cognitive tasks. Yet, the assessment of their relative predictive capacity and interrelations is still an open issue in decision making and cognitive aging research. Indeed, no previous investigation has examined the relationships of all these three predictors with decision making. In an individual‐differences study, we therefore disentangled the relative contribution of sensory functioning, processing speed, and working memory to the prediction of the age‐related decline in cognitively demanding judgment and decision‐making tasks. Structural equation modeling showed that the age‐related decline in working memory plays an important predictive role, even when controlling for sensory functioning, processing speed, and education. Implications for research on decision making and cognitive aging are discussed. Copyright © 2015 John Wiley & Sons, Ltd.
Advanced Paternal Age and Risk of Musculoskeletal Congenital Anomalies in Offspring
Authors: Urhoj Stine Kjaer , Mortensen Laust Hvas , Nybo Andersen Anne‐Marie 
Published: December 2015

OBJECTIVEPrevious research suggests that advanced paternal age increases the risk of musculoskeletal congenital anomalies (CAs) in offspring, but findings are inconsistent. This study aims to investigate the risk of musculoskeletal CAs according to paternal age at birth in an unselected population covering cohort of children.STUDY DESIGNA register‐based prospective study of 1,605,885 children born in Denmark, 1978–2004, using information from record‐linked health and administrative registers. The association between paternal age and overall musculoskeletal CAs, limb anomalies, craniosynostosis, skeletal dysplasias, syndromic musculoskeletal CAs, and other musculoskeletal CAs were investigated by multiple logistic regression analysis.RESULTSFor overall musculoskeletal CAs, a slightly higher risk per 10‐year increase in paternal age was found (odds ratio [OR] = 1.06 [95% CI: 1.01–1.11; where CI is confidence interval]). A 26% (95% CI: 2–56%) excess risk was found for fathers aged 50+ years compared to fathers aged 30–34 years. For syndromic musculoskeletal CAs, excess risks were found for fathers aged 40+ years, compared to fathers aged 30–34 years (40–44: OR = 1.38 [95% CI: 1.01–1.88], 45–49: OR = 1.45 [95% CI: 0.89–2.34], 50+: OR = 1.42 [95% CI: 0.73–2.79]). The risks in all other subgroups of musculoskeletal CAs were increased for fathers aged 50+ years.CONCLUSIONSA slightly higher risk for overall musculoskeletal CAs in offspring was found with increasing paternal age, mainly due to an excess risk of syndromic musculoskeletal CAs for fathers aged 40+ years. While associations between paternal age 50+ years and increased risk of all subtypes of musculoskeletal CAs were indicated, advanced paternal age likely plays a minor role in the etiology of these anomalies
Pelvic exenteration for advanced malignancy in elderly patients
Authors: Radwan R W , Evans M D , Davies M , Harris D A , Beynon J , Hatcher O , Bose P , Lucas M G , Featherstone J , Khot U , Chandrasekaran T V , Carr N D , Gwynne S , Drew P , Phan M D 
Published: December 2015

Abstract

Background
Pelvic exenteration is an aggressive surgical procedure reserved for highly selected patients. Surgery in the elderly is often associated with increased morbidity and mortality. The aim of this study was to review outcomes following exenteration for advanced pelvic malignancy in this subgroup of patients.

Methods
All patients aged 70 years and over who underwent pelvic exenteration between 1999 and 2014 were included in the study. This comprised all primary rectal, gynaecological and bladder tumours. The primary outcome measure was 5-year overall survival. Secondary endpoints were postoperative morbidity and 30-day mortality.

Results
A total of 94 patients were included, with a median age of 76 (range 70–90) years. There were 65 rectal, 20 gynaecological and nine bladder tumours. The administration of neoadjuvant therapy was significantly different among tumour types (P = 0·002). A total of 32 patients (34 per cent) developed postoperative complications, and there were six deaths (6 per cent) within 30 days of surgery. Median survival was 64 months for patients with rectal cancer, 30 months for those with gynaecological tumours and 15 months for those with bladder cancer. Five-year survival rates in these groups were 47, 31 and 22 per cent respectively (P = 0·023).

Conclusion
Given the possibility of long-term survival, pelvic exenteration should not be withheld on the grounds of advanced age alone.
Nanoparticles for Use in Enzyme Assays
Authors: Kim Young‐Pil , Kim Hak‐Sung 
Published: December 2015

AbstractNanoparticles (NPs) have created new ways to enhance the performance of classical biosensors in analytical sciences. NPs with unprecedented physiochemical properties can serve both as excellent carriers of bioreceptors and as signal enhancers, leading to improved assay platforms with high sensitivity and selectivity. Because enzymes play central roles in many cellular functions, specific and precise assays of their functions are of great significance in medical science and biotechnology. Here we review recent advances in NP‐based biosensors and their use in enzyme assays. With fast and specific responses to enzyme‐mediated reactions, NPs transduce and amplify the initial responses into various types of signals, such as electrochemical, optical and magnetic ones. Translation of their potential should lead to functionalized NPs finding wide applications in diagnostics, drug development and biotechnology.
Rapid NMR Assignments of Proteins by Using Optimized Combinatorial Selective Unlabeling
Authors: Dubey Abhinav , Kadumuri Rajashekar Varma , Jaipuria Garima , Vadrevu Ramakrishna , Atreya Hanudatta S. 
Published: December 2015

AbstractA new approach for rapid resonance assignments in proteins based on amino acid selective unlabeling is presented. The method involves choosing a set of multiple amino acid types for selective unlabeling and identifying specific tripeptides surrounding the labeled residues from specific 2D NMR spectra in a combinatorial manner. The methodology directly yields sequence specific assignments, without requiring a contiguously stretch of amino acid residues to be linked, and is applicable to deuterated proteins. We show that a 2D [15N,1H] HSQC spectrum with two 2D spectra can result in ∼50 % assignments. The methodology was applied to two proteins: an intrinsically disordered protein (12 kDa) and the 29 kDa (268 residue) α‐subunit of Escherichia coli tryptophan synthase, which presents a challenging case with spectral overlaps and missing peaks. The method can augment existing approaches and will be useful for applications such as identifying active‐site residues involved in ligand binding, phosphorylation, or protein–protein interactions, even prior to complete resonance assignments.
Core–Shell Composites Based on Multiwalled Carbon Nanotubes and Cesium Tungsten Bronze to Realize Charge Transport Balance for Photocatalytic Water Oxidation
Authors: Zhao Yingqiang , Han Fengyun , Wang Qian , Cui Guan‐Wei , Shi Xi‐Feng , Xia Xin‐Yuan , Xie Junfeng , Li Yong , Tang Bo 
Published: December 2015

AbstractCore–shell composite photocatalysts based on multiwalled carbon nanotubes (MWCNTs) and Cs2W3O10 are first synthesized by an ion‐directing method. Cs+ is preadsorbed on the surface of MWCNTs by electrostatic forces and directs the crystallization of Cs2W3O10 to form a uniform layer on the surface of the MWCNTs. This core–shell arrangement of a MWCNT@Cs2W3O10 composite photocatalyst with a 15 nm thick Cs2W3O10 layer allows the charge transport balance to be achieved in the photocatalytic water oxidation process and confers a high photoactivity. Other reference composite photocatalysts that deviate from this balance result in deteriorated photoactivity. The established synthetic method provides a new method for the design and synthesis of composite photocatalysts, and the realization of charge transport balance is helpful to understand the nature of the enhancement of photoactivity in photocatalytic processes.
Novel Bifunctional Zn–Sn Composite Oxide Catalyst for the Selective Synthesis of Glycerol Carbonate by Carbonylation of Glycerol with Urea
Authors: Manjunathan Pandian , Ravishankar Raman , Shanbhag Ganapati V. 
Published: December 2015

AbstractA novel Zn–Sn composite oxide is reported as a solid bifunctional catalyst for glycerol carbonylation to give glycerol carbonate in high yields. It was prepared by coprecipitation, solid‐state and evaporation methods. Physico‐chemical properties of the catalysts were investigated by XRD, N2 sorption, temperature‐programmed desorption, SEM, and TEM techniques. Coprecipitation was found to be better than the other two methods for carbonylation of glycerol. Higher activity of the catalyst was attributed to a high amount of active sites. A series of Zn–Sn composite oxides with different metal contents and effect of calcination on glycerol carbonate synthesis were also studied. The correlation of activity with total active sites of the catalyst was obtained. Zn–Sn composite catalyst with Zn/Sn molar ratio=2:1 calcined at 600 °C exhibited 96.0 % glycerol conversion with 99.6 % selectivity towards glycerol carbonate under optimized reaction conditions. The catalyst was recycled four times with a marginal decrease in activity.
Functionalization of Carbon Materials by Reduction of Diazonium Cations Produced in Situ in a Brønstedt Acidic Ionic Liquid
Authors: Carvalho Padilha Janine , Noël Jean‐Marc , Bergamini Jean‐François , Rault‐Berthelot Joëlle , Lagrost Corinne 
Published: December 2015

AbstractThe imidazolium‐based acidic ionic liquid 1‐butyl‐3‐methylimidazolium hydrogensulfate, [BMIm][HSO4], is used for the grafting of carbon materials, allowing the nitrobenzene diazonium cations to be simply produced in situ. An appealing self‐limiting and self‐patching process occurs in this viscous ionic liquid. Even for low electrolysis charge consumption, the layers are particularly dense and compact at atomic force microscopy resolution. The grafting method is further extended to carbon nanotubes, following either an electrochemical or a chemical route. A bucky paste is easily obtained from [BMIm][HSO4] and carbon nanotubes that could coat a graphite electrode surface. This simple soft method allows: 1) in situ electrografting of carbon nanotubes in [BMIm][HSO4] and/or 2) easy‐to‐handle electrochemical characterizations of the functionalized carbon nanotubes. The covalent functionalization of single‐walled carbon nanotubes is further assessed by Raman spectroscopy.
Anodic Electrochromic Nickel Oxide Thin Films: Decay of Charge Density upon Extensive Electrochemical Cycling
Authors: Wen Rui‐Tao , Granqvist Claes G. , Niklasson Gunnar A. 
Published: December 2015

AbstractElectrochromic (EC) Ni oxide thin films are a critical component in the smart windows. However, long‐term decay of the EC performance in aprotic electrolytes is persistent and poorly understood, and it is difficult to assess lifetimes of EC devices. Here we report on charge density decline upon electrochemical cycling. The charge density decay was modeled with a power law or, alternatively, a stretched exponential; both models describe a rapid drop of charge density during the first hundreds of cycles and a subsequent slower decline. The decay is independent of film composition and applied potential range as long as the upper limit of the potential is ≤4.4 V vs. Li/Li+. Our decay models are interpreted in terms of dispersive chemical reaction kinetics and point at ion diffusion as the rate‐limiting step. Power‐law exponents are consistent with diffusion. The results provide a framework for evaluating EC durability of Ni‐oxide‐based thin films and may be important for assessing the durability of EC devices.
Graphite‐Nanoplate‐Coated Bi2S3 Composite with High‐Volume Energy Density and Excellent Cycle Life for Room‐Temperature Sodium–Sulfide Batteries
Authors: Li Wei‐Jie , Han Chao , Chou Shu‐Lei , Wang Jia‐Zhao , Li Zhen , Kang Yong‐Mook , Liu Hua‐Kun , Dou Shi‐Xue 
Published: December 2015

AbstractGraphite‐nanoplate‐coated Bi2S3 composite (Bi2S3@C) has been prepared by a simple, scalable, and energy‐efficient precipitation method combined with ball milling. The Bi2S3@C composite was used as the cathode material for sodium–sulfide batteries. It delivered an initial capacity of 550 mAh g−1 and high stable specific energy in the range of 275–300 Wh kg−1 at 0.1 C, with an enhanced capacity retention of 69 % over 100 cycles. The unique structure demonstrates superior cycling stability, with a capacity drop of 0.3 % per cycle over 100 cycles, compared with that of bare Bi2S3. The sodium storage mechanism of Bi2S3 was investigated based on ex situ X‐ray diffraction and scanning transmission electron microscopy.
Ruthenium‐Catalyzed Cycloisomerization of 2,2′‐Diethynyl‐ biphenyls Involving Cleavage of a Carbon–Carbon Triple Bond
Authors: Matsuda Takanori , Kato Kotaro , Goya Tsuyoshi , Shimada Shingo , Murakami Masahiro 
Published: December 2015

AbstractA ruthenium complex catalyzes a new cycloisomerization reaction of 2,2′‐diethynylbiphenyls to form 9‐ethynylphenanthrenes, thereby cleaving the carbon–carbon triple bond of the original ethynyl group. A metal–vinylidene complex is generated from one of the two ethynyl groups, and its carbon–carbon double bond undergoes a [2+2] cycloaddition with the other ethynyl group to form a cyclobutene. The phenanthrene skeleton is constructed by the subsequent electrocyclic ring opening of the cyclobutene moiety.
A Boiling‐Water‐Stable, Tunable White‐Emitting Metal–Organic Framework from Soft‐Imprint Synthesis
Authors: He Jun , Huang Jian , He Yonghe , Cao Peng , Zeller Matthias , Hunter Allen D. , Xu Zhengtao 
Published: December 2015

AbstractA new avenue for making porous frameworks has been developed by borrowing an idea from molecularly imprinted polymers (MIPs). In lieu of the small molecules commonly used as templates in MIPs, soft metal components, such as CuI, are used to orient the molecular linker and to leverage the formation of the network. Specifically, a linear dicarboxylate linker with thioether side groups reacted simultaneously with Ln3+ ions and CuI, leading to a bimetallic net featuring strong, chemically hard Eu3+–carboxylate links, as well as soft, thioether‐bound Cu2I2 clusters. The CuI block imparts water stability to the host; with the tunable luminescence from the lanthanide ions, this creates the first white‐emitting MOF that is stable in boiling water. The Cu2I2 block also readily reacts with H2S, and enables sensitive colorimetric detection while the host net remains intact.
Dividing Wall Column as Energy Saving Retrofit Technology
Authors: Jansen Helmut , Dejanović Igor , Rietfort Thomas , Olujić Žarko 
Published: December 2015

AbstractThe present paper shows that existing two‐ or three‐column sequences could be transformed in a cost‐effective way into a dividing wall column (DWC) to allow for energy saving equivalent to that achievable in new designs. This makes DWC an interesting retrofit option for process industries willing to achieve a substantial reduction in energy requirement and carbon dioxide emissions in existing plants. Additional benefit is reflected in the potential for increasing substantially the capacity of existing units in the most sustainable way.
Analytik rund ums Holi‐Pulver
Authors: Steff Henning , Schröder Thomas Philipp , Buse Susanne , Bär Lukas , Vogel Fiona , Heller Marvin , Sommer Katrin 
Published: December 2015

AbstractBei Holi‐Parties wird – in Anlehnung an ein hinduistisches Ritual – ein stärkehaltiges gefärbtes Effekt‐Pulver (Holi‐Pulver) in Menschenmassen geworfen. Die Feuerwehr warnt: Durch Funken, z.B. von Zigaretten, könnte es zur Staubexplosion kommen. Wichtige Einflussparameter, die das Explosionsverhalten von Stäuben bestimmen, sind die stoffliche Zusammensetzung von Stäuben, der Wassergehalt und die Feinheit. Diese Parameter werden an Holi‐Pulvern eines deutschen sowie eines indischen Anbieters untersucht. Der Parameter stoffliche Zusammensetzung erweist sich als zentral. Die Holi‐Pulver des indischen Anbieters bestehen zu über 90 % aus brennbarer (Mais‐)Stärke. Die Holi‐Pulver des deutschen Anbieters sind so ausbalanciert, dass sowohl Stärke als auch Inertstoffe enthalten sind. Mit Hilfe von Modell‐Stoffgemischen wird ermittelt, dass die Explosionsfähigkeit der Stoffgemische mit zunehmendem Inertstoffanteil deutlich herabgesetzt wird. Alle Zündversuche werden mit einer für Schule und Ausbildung entwickelten Low‐Cost‐Hartmann‐Apparatur durchgeführt.
Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments
Authors: Bottegoni Giovanni , Veronesi Marina , Bisignano Paola , Kacker Puneet , Favia Angelo D. , Cavalli Andrea 
Published: December 2015

AbstractIn this study, we report on a virtual ligand screening protocol optimized to identify fragments endowed with activity at multiple targets. Thanks to this protocol, we were able to identify a fragment that displays activity in the low‐micromolar range at both β‐secretase 1 (BACE‐1) and glycogen synthase kinase 3β (GSK‐3β). These two structurally and physiologically unrelated enzymes likely contribute, through different pathways, to the onset of Alzheimer′s disease (AD). Therefore, their simultaneous inhibition holds great potential in exerting a profound effect on AD. In perspective, the strategy outlined herein can be adapted to other target combinations.
Mapping chromatic pathways in the Drosophila visual system
Authors: Lin Tzu‐Yang , Luo Jiangnan , Shinomiya Kazunori , Ting Chun‐Yuan , Lu Zhiyuan , Meinertzhagen Ian A. , Lee Chi‐Hon 
Published: December 2015

ABSTRACTIn Drosophila, color vision and wavelength‐selective behaviors are mediated by the compound eye's narrow‐spectrum photoreceptors R7 and R8 and their downstream medulla projection (Tm) neurons Tm5a, Tm5b, Tm5c, and Tm20 in the second optic neuropil or medulla. These chromatic Tm neurons project axons to a deeper optic neuropil, the lobula, which in insects has been implicated in processing and relaying color information to the central brain. The synaptic targets of the chromatic Tm neurons in the lobula are not known, however. Using a modified GFP reconstitution across synaptic partners (GRASP) method to probe connections between the chromatic Tm neurons and 28 known and novel types of lobula neurons, we identify anatomically the visual projection neurons LT11 and LC14 and the lobula intrinsic neurons Li3 and Li4 as synaptic targets of the chromatic Tm neurons. Single‐cell GRASP analyses reveal that Li4 receives synaptic contacts from over 90% of all four types of chromatic Tm neurons, whereas LT11 is postsynaptic to the chromatic Tm neurons, with only modest selectivity and at a lower frequency and density. To visualize synaptic contacts at the ultrastructural level, we develop and apply a “two‐tag” double‐labeling method to label LT11's dendrites and the mitochondria in Tm5c's presynaptic terminals. Serial electron microscopic reconstruction confirms that LT11 receives direct contacts from Tm5c. This method would be generally applicable to map the connections of large complex neurons in Drosophila and other animals. J. Comp. Neurol. 524:213–227, 2016. © 2015 Wiley Periodicals, Inc.
A Study of π–π Stacking Interactions and Aromaticity in Polycyclic Aromatic Hydrocarbon/Nucleobase Complexes
Authors: Trujillo Cristina , Sánchez‐Sanz Goar 
Published: December 2015

AbstractWe analysed the interactions and aromaticity electron‐density delocalisation observed in π–π complexes between the phenalenyl radical and acenaphthylene, and the DNA and RNA nucleobases (adenine, guanine, cytosine, thymine and uracil). Interaction energies are obtained at the M06‐2X/6‐311++G(2df,p) computational level for gas phase and PCM–water conditions. For both the phenalenyl radical and acenaphthylene, the complexes formed with guanine are the most stable ones. Atoms in molecules and natural bond orbital results reveal weak π–π interactions between both interacting moieties, characterized by bond critical points between C⋅⋅⋅C and C⋅⋅⋅N atoms. Nucleus independent chemical shifts (NICS) indicate the retention of the aromatic character of the monomers in the outer region of the complex. The fluctuation indexes reveal a loss of electron delocalisation upon complexation for all cases except guanine complexes. Nevertheless, the interface region shows large negative NICS values, which is not associated with an increase of the aromaticity or electron‐density delocalisation, but with magnetic couplings of both molecules, leading to an unrealistic description of the aromatic behaviour in that region.
Porous Silica‐Coated Gold Nanorods: A Highly Active Catalyst for the Reduction of 4‐Nitrophenol
Authors: Mohanta Jagdeep , Satapathy Smithsagar , Si Satyabrata 
Published: December 2015

AbstractThe successful coating of thin porous silica layers of various thicknesses [(10±1), (12±1), and (14±1) nm] on cetyl trimethylammonium bromide (CTAB) capped gold nanorods was achieved through a modified Stöber procedure. The resulting material was applied as a novel catalyst for the reduction of 4‐nitrophenol. The catalytic activities of the gold nanorods increased up to eight times after coating with a layer of porous silica and the reaction followed a zero‐order kinetics, having a rate constant as high as 2.92×10−1 mol L−1 min−1. The spectral changes during the reduction reaction of 4‐nitrophenol were observed within a very short span of time and a complete conversion to 4‐aminophenol occured within 5–6 mins, including the induction period of ≈2 mins. The reusability of the catalyst was studied by running the catalytic reaction during five consecutive cycles with good efficiency without destroying the nanostructure. The methodology can be effectively applied to the development of composite catalysts with highly enhanced catalytic activity.