bluuebunny/crossref_metadata_2025 huggingface dataset:
An analysis of the relationship between metastases and cachexia in lung cancer patients
Authors: Shiono Masatoshi , Huang Kan , Downey Robert J. , Consul Nikita , Villanueva Nicolas , Beck Kristen , Fenn Kathleen , Dietz Donald , Yamaguchi Takuhiro , Kato Shunsuke , Divgi Chaitanya , Kalinsky Kevin , Wei Ying , Zhang Yuan , Borczuk Alain C. , Inoue Akira , Halmos Balazs , Acharyya Swarnali
Published: August 2016

Weight loss and hematogenous metastases are poor prognosis factors in lung cancer patients that can but do not necessarily co‐occur. We retrospectively investigated the clinical association between cachexia, tumor characteristics (such as metastatic burden and mutational status), and treatment in lung cancer patients. The medical records of 394 lung cancer patients from two institutions (Columbia University, USA and Tohoku University, Japan) were reviewed. Information collected included the presence of cachexia, histologic subtype, tumor stage, number of metastases, mutation status, treatment, and survival. Descriptive statistics were performed. Only stage IV patients exhibited >5% weight loss (0.8%, 2.2%, 3.6%, and 5.1%, for stages I to IV; P = 0.0001). Patients with metastases developed cachexia more often than patients without metastases independent of treatment (6.0% and 7.1% weight loss in patients with metastases vs. 2.5% and 2.0% in patients without metastases, before [P = 0.0001] and after [P < 0.0001] treatment, respectively). The change in number of metastatic sites over time correlated with increasing weight loss (5.2%, 10.6%, 13.4%, and 13.4%, for an increase of 0, 1, 2, and ≥3 metastatic sites, from initial diagnosis to the endpoint; P < 0.0001). Patients with cachexia had worse survival than patients without cachexia (hazard ratio, 2.94; 95% confidence interval, 2.08–4.16; P < 0.0001). Tumors with mutated KRAS were associated with an increased risk of weight loss (11.4% weight loss in patients with mutated KRAS vs. 6.0% in patients with wild‐type KRAS; P = 0.0011). Our findings suggest that the capabilities of lung cancer to metastasize and cause cachexia might be linked intrinsically and are independent of treatments administered. KRAS‐mutated tumors were more commonly associated with cachexia.
Ultrasound imaging of splenomegaly as a proxy to monitor colon tumor development in Apcmin716/+ mice
Authors: Hodgson Andrea , Wier Eric M. , Fu Kai , Sun Xin , Wan Fengyi
Published: August 2016

Animal models of colon cancer are widely used to understand the molecular mechanisms and pathogenesis of the disease. These animal models require a substantial investment of time and traditionally necessitate the killing of the animal to measure the tumor progression. Several in vivo imaging techniques are being used in both human clinics and preclinical studies, albeit at high cost and requiring particular expertise. Here, we report that the progression of splenomegaly coincides with and positively correlates to colon tumor development in Apcmin716/+ mice expressing a mutant gene encoding an adenomatous polyposis coli protein truncated at amino acid 716. Ultrasound image‐based spleen size measurement precisely mirrors splenomegaly development in vivo in the tumor‐laden Apcmin716/+ mice. Moreover, the spleen dimensions extracted from the ultrasound sonograms are positively correlated with normalized spleen weight and the number and area of colon tumors. Hence, we propose measuring the spleen size in vivo by ultrasound imaging as a novel approach to estimate splenomegaly development and to indirectly monitor colon tumor development in Apcmin716/+ mice. The widespread use of ultrasound machines in the laboratory setting, coupled with the fact that it is a noninvasive method, make it a straightforward and useful tool for monitoring the experimental progress of colon cancer in mice and determining end points without killing animals strictly for diagnostics purposes.
Bisphenol A regulates Snail‐mediated epithelial‐mesenchymal transition in hemangioma cells
Authors: Zhai Denggao , He Jiantai , Li Xiaoli , Gong Liansheng , Ouyang Yang
Published: August 2016

Hemangioma (HA) can be exposed to bisphenol A (BPA) through direct skin absorption. Although numerous studies indicated that BPA can trigger the progression of cancers, there is no study concerning the effects of BPA on development of HA. Our present study revealed that nanomolar BPA can significantly increase the in vitro migration and invasion of HA cells via induction of epithelial‐mesenchymal transition (EMT), which was evidenced by the upregulation of vimentin and downregulation of E‐cadherin. The BPA treatment also significantly increased the expression and nuclear localization of Snail and the key transcription factor of EMT, while it had no effect on the expression of other transcription factors such as Slug, Twist, or ZEB1. Silencing of Snail by small interfering RNAs attenuated BPA‐induced downregulation of cadherin and upregulation of vimentin, suggesting that Snail is essential for BPA‐induced EMT. Both estrogen receptor α (ERα) and G protein–coupled estrogen receptor (GPER) were expressed in HA cells; furthermore, BPA treatment can increase the expression of both ERα and GPER. However, only the inhibitor of ERα (ICI 182, 780), and not GPER (G15), can abolish BPA‐induced upregulation of Snail. It suggested that ERα is involved in BPA‐induced EMT of HA cells. Collectively, our data suggested that BPA can trigger the EMT of HA cells via ERα/Snail signals. It indicated that more attention should be paid to the skin exposure to BPA for HA patients.
Sphingosine‐1‐phosphate‐enhanced Wnt5a promotes osteogenic differentiation in C3H10T1/2 cells
Authors: Hashimoto Yoko , Kobayashi Mari , Matsuzaki Etsuko , Higashi Katsumasa , Takahashi‐Yanaga Fumi , Takano Aiko , Hirata Masato , Nishimura Fusanori
Published: August 2016

In this study, we investigated the involvement of Wnt signaling in sphingosine‐1‐phosphate (S1P)‐enhanced osteogenic differentiation of C3H10T1/2 pluripotent stem cells. We found that S1P enhanced the expression of Wnt5a and low‐density lipoprotein receptor‐related protein 5 or 6 (LRP5/6) during osteogenic differentiation. Wnt5a‐neutralizing antibody inhibited S1P‐enhanced expression of LRP5/6 and alkaline phosphatase, which are essential for osteogenic differentiation. Conversely, S1P did not affect endogenous canonical Wnt signaling. Taken together, S1P‐enhanced Wnt5a promotes LRP5/6 expression, resulting in the trigger of osteogenic differentiation of C3H10T1/2 cells. These findings suggest a potential beneficial role for S1P in bone regeneration.
Sorting out the value of spectroscopic tools to assess the Colletotrichum acutatum impact in olive cultivars with different susceptibilities
Authors: Gouvinhas Irene , Machado Nelson , Gironés‐Vilaplana Amadeo , Gomes Sónia , Carvalho Teresa , Domínguez‐Perles Raúl , Barros Ana I. R. N. A.
Published: August 2016

The olive tree (Olea europaea L.) can be affected by Colletotrichum acutatum, causing a loss of yield and quality of the final products, whilst the incidence of this fungal infection depends on several factors, including cultivar susceptibility. Thus, the effect of C. acutatum infection in cultivars displaying different susceptibilities to this fungal disease (‘Galega Vulgar’ ‐ susceptible, ‘Cobrançosa’ ‐ moderately susceptible, ‘Picual’ ‐ tolerant) has been assessed through spectrophotometric methods and HPLC, while the FTIR spectra of the cuticles have been concomitantly registered, resorting to the ATR accessory.

With the support of multivariate analysis, these spectra allowed to discriminate olives with distinct infection times, besides retrieving evidences concerning the different susceptibility of each cultivar, while these observations were reinforced by the spectrophotometric and chromatographic methods. Furthermore, the assessment of the phenolic profile evidenced individual compounds in the distinct cultivars, so as their variations in response to the fungal infection.
Synthesis and Single‐Molecule Conductance Study of Redox‐Active Ruthenium Complexes with Pyridyl and Dihydrobenzo[b]thiophene Anchoring Groups
Authors: Ozawa Hiroaki , Baghernejad Masoud , Al‐Owaedi Oday A. , Kaliginedi Veerabhadrarao , Nagashima Takumi , Ferrer Jaime , Wandlowski Thomas , García‐Suárez Víctor M. , Broekmann Peter , Lambert Colin J. , Haga Masa‐aki
Published: August 2016

The ancillary ligands 4′‐(4‐pyridyl)‐2,2′:6′,2′′‐terpyridine and 4′‐(2,3‐dihydrobenzo[b]thiophene)‐2,2′‐6′,2“‐terpyridine were used to synthesize two series of mono‐ and dinuclear ruthenium complexes differing in their lengths and anchoring groups. The electrochemical and single‐molecular conductance properties of these two series of ruthenium complexes were studied experimentally by means of cyclic voltammetry and the scanning tunneling microscopy‐break junction technique (STM‐BJ) and theoretically by means of density functional theory (DFT). Cyclic voltammetry data showed clear redox peaks corresponding to both the metal‐ and ligand‐related redox reactions. Single‐molecular conductance demonstrated an exponential decay of the molecular conductance with the increase in molecular length for both the series of ruthenium complexes, with decay constants of βPY=2.07±0.1 nm−1 and βBT=2.16±0.1 nm−1, respectively. The contact resistance of complexes with 2,3‐dihydrobenzo[b]thiophene (BT) anchoring groups is found to be smaller than the contact resistance of ruthenium complexes with pyridine (PY) anchors. DFT calculations support the experimental results and provided additional information on the electronic structure and charge transport properties in those metal|ruthenium complex|metal junctions.
Stereoselectivity in Autoionization Reactions of Hydrogenated Molecules by Metastable Noble Gas Atoms: The Role of Electronic Couplings
Authors: Falcinelli Stefano , Rosi Marzio , Cavalli Simonetta , Pirani Fernando , Vecchiocattivi Franco
Published: August 2016

Focus in the present paper is on the analysis of total and partial ionization cross sections, measured in absolute value as a function of the collision energy, representative of the probability of ionic product formation in selected electronic states in Ne*−H2O, H2S, and NH3 collisions. In order to characterize the imaginary part of the optical potential, related to electronic couplings, we generalize a methodology to obtain direct information on the opacity function of these reactions. Such a methodology has been recently exploited to test the real part of the optical potential (S. Falcinelli et al., Chem. Eur. J., 2016, 22, 764–771). Depending on the balance of noncovalent contributions, the real part controls the approach of neutral reactants, the removal of ionic products, and the structure of the transition state. Strength, range, and stereoselectivity of electronic couplings, triggering these and many other reactions, are directly obtained from the present investigation.
Arene Selectivity by a Flexible Coordination Polymer Host
Authors: Wright James S. , Vitórica‐Yrezábal Iñigo J. , Thompson Stephen P. , Brammer Lee
Published: August 2016

The coordination polymers [Ag4(O2CCF3)4(phen)3]⋅ phen⋅arene (1⋅phen⋅arene) (phen=phenazine; arene=toluene, p‐xylene or benzene) have been synthesised from the solution phase in a series of arene solvents and crystallographically characterised. By contrast, analogous syntheses from o‐xylene and m‐xylene as the solvent yield the solvent‐free coordination polymer [Ag4(O2CCF3)4(phen)2] (2). Toluene, p‐xylene and benzene have been successfully used in mixed‐arene syntheses to template the formation of coordination polymers 1⋅phen⋅arene, which incorporate o‐ or m‐xylene. The selectivity of 1⋅phen⋅arene for the arene guests was determined, through pairwise competition experiments, to be p‐xylene>toluene≈benzene>o‐xylene>m‐xylene. The largest selectivity coefficient was determined as 14.2 for p‐xylene:m‐xylene and the smallest was 1.0 for toluene:benzene.
Highly Facet‐Dependent Photocatalytic Properties of Cu2O Crystals Established through the Formation of Au‐Decorated Cu2O Heterostructures
Authors: Yuan Guo‐Zhi , Hsia Chi‐Fu , Lin Zhen‐Wen , Chiang Chieh , Chiang Yun‐Wei , Huang Michael H.
Published: August 2016

This work confirms the presence of a large facet‐dependent photocatalytic activity of Cu2O crystals through sparse deposition of gold particles on Cu2O cubes, octahedra, and rhombic dodecahedra. Au‐decorated Cu2O rhombic dodecahedra and octahedra showed greatly enhanced photodegradation rates of methyl orange resulting from a better separation of the photogenerated electrons and holes, with the rhombic dodecahedra giving the best efficiency. Au–Cu2O core–shell rhombic dodecahedra also displayed a better photocatalytic activity than pristine rhombic dodecahedra. However, Au‐deposited Cu2O cubes, pristine cubes, and Au‐deposited small nanocubes bound by entirely {100} facets are all photocatalytically inactive. X‐ray photoelectron spectra (XPS) showed identical copper peak positions for these Au‐decorated crystals. Remarkably, electron paramagnetic resonance (EPR) measurements indicated a higher production of hydroxyl radicals for the photoirradiated Cu2O rhombic dodecahedra than for the octahedra, but no radicals were produced from photoirradiated Cu2O cubes. The Cu2O {100} face may present a high energy barrier through its large band edge bending and/or electrostatic repulsion, preventing charge carriers from reaching to this surface. The conventional photocatalysis model fails in this case. The facet‐dependent photocatalytic differences should be observable in other semiconductor systems whenever a photoinduced charge‐transfer process occurs across an interface.
Gated Channels and Selectivity Tuning of CO2 over N2 Sorption by Post‐Synthetic Modification of a UiO‐66‐Type Metal–Organic Framework
Authors: Kronast Alexander , Eckstein Sebastian , Altenbuchner Peter T. , Hindelang Konrad , Vagin Sergei I. , Rieger Bernhard
Published: August 2016

The highly porous and stable metal–organic framework (MOF) UiO‐66 was altered using post‐synthetic modifications (PSMs). Prefunctionalization allowed the introduction of carbon double bonds into the framework through a four‐step synthesis from 2‐bromo‐1,4‐benzenedicarboxylic acid; the organic linker 2‐allyl‐1,4‐benzenedicarboxylic acid was obtained. The corresponding functionalized MOF (UiO‐66‐allyl) served as a platform for further PSMs. From UiO‐66‐allyl, epoxy, dibromide, thioether, diamine, and amino alcohol functionalities were synthesized. The abilities of these compounds to adsorb CO2 and N2 were compared, which revealed the structure–selectivity correlations. All synthesized MOFs showed profound thermal stability together with an increased ability for selective CO2 uptake and molecular gate functionalities at low temperatures.
Hydrothermal Synthesis of a rGO Nanosheet Enwrapped NiFe Nanoalloy for Superior Electrocatalytic Oxygen Evolution Reactions
Authors: Geng Jing , Kuai Long , Kan Erjie , Sang Yan , Geng Baoyou
Published: August 2016

Graphene‐based hybrid nanostructures possess many advantages in the field of electrochemical energy applications. In this work, a facile and efficient hydrothermal approach has been developed for the preparation of NiFe alloy nanoparticles/rGO hybrid nanostructures, in which the nanoparticles are well combined with rGO nanosheets and the size of the nanoparticles is about 100 nm. Moreover, the electrochemical oxygen evolution reaction (OER) tests confirmed that the obtained NiFe/rGO hybrid nanostructures possess notably higher activity than both the rGO‐free NiFe nanoparticles and pure Ni/rGO hybrids, and the optimal NiFe ratio is 2:1. The OER overpotential at 20 mA cm−1−2 with Ni2Fe/rGO is as low as 0.285 V, which is 96 mV lower than that of pure Ni/rGO hybrids. Meanwhile, the Ni2Fe/rGO catalyst has excellent stability. Therefore, this work contributes a facile and efficient method to prepare a NiFe alloy nanoparticles/rGO hybrid structure for potential applications in the field of electrochemical energy devices, such as electrochemical water splitting cells, rechargeable metal/air batteries, etc.
Nickel‐Promoted Recognition of Long DNA Sites by Designed Peptide Derivatives
Authors: Rodríguez Jéssica , Mosquera Jesús , Vázquez M. Eugenio , Mascareñas José L.
Published: August 2016

We describe the synthesis of designed peptidic modules that self‐assemble in specific DNA sequences of 12 base pairs in the presence of NiII salts. The modules consist of modified fragments of transcription factors that have been appropriately engineered to include metal‐chelating His and bipyridine ligands.
Mechanochemical Strecker Reaction: Access to α‐Aminonitriles and Tetrahydroisoquinolines under Ball‐Milling Conditions
Authors: Hernández José G. , Turberg Mathias , Schiffers Ingo , Bolm Carsten
Published: August 2016

A mechanochemical version of the Strecker reaction for the synthesis of α‐aminonitriles was developed. The milling of aldehydes, amines, and potassium cyanide in the presence of SiO2 gave the corresponding α‐aminonitriles in good to high yields. The high efficiency of the mechanochemical Strecker‐type multicomponent reaction allowed the one‐pot synthesis of tetrahydroisoquinolines after a subsequent internal N‐alkylation reaction.
Hydrophobicity‐Driven Self‐Assembly of an Eighteen‐Membered Honeycomb Lattice with Almost Classical Spins
Authors: Zhou Guo‐Jun , Richter Johannes , Schnack Jürgen , Zheng Yan‐Zhen
Published: August 2016

The design and synthesis of model compounds that do not exist naturally is one of the important targets in modern coordination chemistry. Herein, an eighteen‐membered honeycomb structure with equal numbers of MnII (s=5/2) and GdIII (s=7/2) metal centers has been prepared, for the first time, by using a hydrophobic force‐directed self‐assembling process. Due to the weakly coupled GdIII pairs, the magnetic properties are mainly determined by eight‐membered chains in the experimentally considered temperature range. These [Mn4Gd4] ”finite‐size“ chains, albeit with large Hilbert space, can be fully resolved by the high‐temperature series expansion and the powerful finite‐temperature Lanczos method, which reveal that the exchange‐couplings between the metal centers are antiferromagnetic and consistent with the magnetization measurement. Interestingly, from the surface‐engineering point of view, the [Mn4Gd4] chains are ”precisely“ assembled into a 2D honeycomb pattern, which is potentially desirable in the design of weakly coupled qubits.
Validation of a Chiral Liquid Chromatographic Method for the Degradation Behavior of Flumequine Enantiomers in Mariculture Pond Water
Authors: Wang Yan‐Fei , Gao Xiao‐Feng , Jin Huo‐Xi , Wang Yang‐Guang , Wu Wei‐Jian , Ouyang Xiao‐Kun
Published: August 2016

In this work, flumequine (FLU) enantiomers were separated using a Chiralpak OD‐H column, with n‐hexane‐ethanol (20:80, v/v) as the mobile phase at a flow rate of 0.6 mL/min. Solid phase extraction (SPE) was used for cleanup and enrichment. The limit of detection, limit of quantitation, linearity, precision, and intra/interday variation of the chiral high‐performance liquid chromatography (HPLC) method were determined. The developed method was then applied to investigate the degradation behavior of FLU enantiomers in mariculture pond water samples. The results showed that the degradation of FLU enantiomers under natural, sterile, or dark conditions was not enantioselective. Chirality 28:649–655, 2016. © 2016 Wiley Periodicals, Inc.
Discovery and Characterization of ACT‐451840: an Antimalarial Drug with a Novel Mechanism of Action
Authors: Boss Christoph , Aissaoui Hamed , Amaral Nathalie , Bauer Aude , Bazire Stephanie , Binkert Christoph , Brun Reto , Bürki Cédric , Ciana Claire‐Lise , Corminboeuf Olivier , Delahaye Stephane , Dollinger Claire , Fischli Christoph , Fischli Walter , Flock Alexandre , Frantz Marie‐Céline , Girault Malory , Grisostomi Corinna , Friedli Astrid , Heidmann Bibia , Hinder Claire , Jacob Gael , Le Bihan Amelie , Malrieu Sophie , Mamzed Saskia , Merot Aurelien , Meyer Solange , Peixoto Sabrina , Petit Nolwenn , Siegrist Romain , Trollux Julien , Weller Thomas , Wittlin Sergio
Published: August 2016

More than 40 % of the world's population is at risk of being infected with malaria. Most malaria cases occur in the countries of sub‐Saharan Africa, Central and South America, and Asia. Resistance to standard therapy, including artemisinin combinations, is increasing. There is an urgent need for novel antimalarials with new mechanisms of action. In a phenotypic screen, we identified a series of phenylalanine‐based compounds that exhibit antimalarial activity via a new and yet unknown mechanism of action. Our optimization efforts culminated in the selection of ACT‐451840 [(S,E)‐N‐(4‐(4‐acetylpiperazin‐1‐yl)benzyl)‐3‐(4‐(tert‐butyl)phenyl)‐N‐(1‐(4‐(4‐cyanobenzyl)piperazin‐1‐yl)‐1‐oxo‐3‐phenylpropan‐2‐yl)acrylamide] for clinical development. Herein we describe our optimization efforts from the screening hit to the potential drug candidate with respect to antiparasitic activity, drug metabolism and pharmacokinetics (DMPK) properties, and in vivo pharmacological efficacy.
Second malignancy risk among pediatric, adolescent, and young adult survivors of fusion‐positive and fusion‐negative sarcomas: Results from the SEER database, 1992 through 2012
Authors: Lupo Philip J. , Brown Austin L. , Hettmer Simone
Published: August 2016

BACKGROUND

The current study builds on the hypothesis that cancer‐predisposing germline mutations are less common among patients with fusion‐positive (F+) sarcomas compared to those with fusion‐negative (F‐) sarcomas, resulting in a lower risk of developing second malignant neoplasms (SMNs) in those with F + sarcomas.

METHODS

Standardized incidence ratios (SIRs) for developing SMNs were evaluated in 4822 survivors of F + and 3963 survivors of F‐ sarcomas that were diagnosed between 1992 and 2012 in pediatric, adolescent, and young adult patients (aged birth‐39 years) and reported in the Surveillance, Epidemiology, and End Results (SEER) database. Cox proportional hazards models (adjusted hazard ratio [aHR]) and competing risk methods (subhazard ratio [sHR]) were used to evaluate SMN risk in those with F‐ versus F + sarcomas while controlling for demographic and clinical variables.

RESULTS

SMN risk was found to be nearly 2‐fold greater among survivors of F + sarcomas (SIR, 1.86; 95% confidence interval [95% CI], 1.48‐2.30) and nearly 3‐fold greater among survivors of F‐ sarcomas (SIR, 2.89; 95% CI, 2.30‐3.59) compared with the reference population. Although SMN types were noted to be similar between the fusion groups, the rate of any SMN was noted to be greater among survivors of F‐ sarcomas (aHR, 1.38 [95% CI, 1.01‐1.89] and sHR, 1.27 [95% CI, 0.94‐1.73]) when compared with survivors of F + sarcomas. The difference was most notable for solid tumor SMNs after index sarcomas were diagnosed between 2002 and 2012, for which rates of SMN were >2‐fold greater among survivors of F‐ sarcomas (aHR, 2.31 [95% CI, 1.20‐4.48] and sHR, 2.24 [95% CI, 1.13‐4.43]).

CONCLUSIONS

The findings of the current study highlight the increased SMN risk experienced by survivors of sarcoma and demonstrate higher SMN rates in survivors of F‐ sarcomas compared to those with a history of F + sarcomas. Cancer 2016;122:3492–3500. © 2016 American Cancer Society
Modeling recommender systems via weighted bipartite network
Authors: Xia Jianxun , Wu Fei , Xiong Zenggang , Qiu Meikang , Xie Changsheng
Published: August 2016

Recommender systems have shown great potential to address information overload problems, namely, to help users find interesting and relevant objects within a huge information space. To achieve more accurate recommendation, in this paper, we proposed a recommendation algorithm Improved weighted Network‐Based Inference (INBIw) that improves on the original weighted network‐based inference by introducing a tunable parameter β to depress the influence of high‐degree nodes. In order to evaluate the recommendation performance of INBIw, ranking position rate and hitting rate are calculated. The results of experiment based on MovieLens data set show that the INBIw outperforms previous methods, including the global ranking method, collaborative filtering, network‐based inference, and weighted network‐based inference with respect to ranking position rate and hitting rate. Specifically, it performs well and gives a more accurate prediction. After further analysis, we discovered that the recommendation results of INBIw are insensitive to the amount of data and length of the recommendation list. Thus, INBIw can deal with data sparsity and is able to satisfy the varied requirements of real situations. Copyright © 2016 John Wiley & Sons, Ltd.
An Enzyme‐based 1:2 Demultiplexer Interfaced with an Electrochemical Actuator
Authors: Fratto Brian E. , Guz Nataliia , Fallon Tyler T. , Katz Evgeny
Published: August 2016

An enzyme‐based 1:2 demultiplexer is designed in a flow system composed of three cells where each one is modified with a different enzyme: hexokinase, glucose dehydrogenase and glucose‐6‐phosphate dehydrogenase. The Input signal activating the biocatalytic cascade is represented by glucose, while the Address signal represented by ATP is responsible for directing the Input signal to one of the output channels, depending on the logic value of the Address. The biomolecular 1:2 demultiplexer is extended to include two electrochemical actuators releasing entrapped DNA molecules in the active output channel. The modular design of the system allows for easy exchange and extension of the functional elements. The present demultiplexer can be easily integrated in various biomolecular logic systems, including different logic gates based on the enzyme‐ or DNA‐based reactions, as well as containing different chemical actuators, for example, with a biomolecular release function.
Interaction between cation orientation, octahedra tilting and hydrogen bonding in methylammonium lead triiodide
Authors: Franz Alexandra , Többens Daniel M. , Schorr Susan
Published: August 2016

A combined powder diffraction analysis using both synchrotron X‐ray and neutron diffraction data was used to determine the structure of methylammonium lead triiodide crystallizing at room temperature in the tetragonal crystal system. The use of rigid body modelling for the methylammonium molecule results in a description of the positions of the hydrogen atoms in the structure, using physically significant bond geometry parameters. In contrast to previously available structure models, this allows a meaningful analysis of the pattern of hydrogen bonds and the related distortions of the structure.
Smart, Sustainable, and Ecofriendly Chemical Design of Fully Bio‐Based Thermally Stable Thermosets Based on Benzoxazine Chemistry
Authors: Froimowicz Pablo , R. Arza Carlos , Han Lu , Ishida Hatsuo
Published: August 2016

A smart synthetic chemical design incorporating furfurylamine, a natural renewable amine, into a partially bio‐based coumarin‐containing benzoxazine is presented. The versatility of the synthetic approach is shown to be flexible and robust enough to be successful under more ecofriendly reaction conditions by replacing toluene with ethanol as the reaction solvent and even under solventless conditions. The chemical structure of this coumarin‐furfurylamine‐containing benzoxazine is characterized by FTIR, 1H NMR spectroscopy and two‐dimensional 1H–1H nuclear Overhauser effect spectroscopy (2D 1H–1H NOESY). The thermal properties of the resin toward polymerization are characterized by differential scanning calorimetry (DSC) and the thermal stability of the resulting polymers by thermogravimetric analysis (TGA). The results reveal that the furanic moiety induces a co‐operative activating effect, thus lowering the polymerization temperature and also contributes to a better thermal stability of the resulting polymers. These results, in addition to those of natural renewable benzoxazine resins reviewed herein, highlight the positive and beneficial implication of designing novel bio‐based polybenzoxazine and possibly other thermosets with desirable and competitive properties.
Cdk5 is required for the positioning and survival of GABAergic neurons in developing mouse striatum
Authors: Sasamoto Kodai , Nagai Jun , Nakabayashi Takeru , He Xiaojuan , Ohshima Toshio
Published: August 2016

Cyclin‐dependent kinase 5 (Cdk5) is a serine/threonine kinase, and its activity is dependent upon an association with a neuron‐specific activating subunit. It was previously reported that Cdk5−/− mice exhibit perinatal lethality and defective neuronal positioning. In this study, they focused on the analysis of neuronal positioning of GABAergic neurons in the forebrain. Defective formation of the ventral striatum, nucleus accumbens, and olfactory tubercles was found in Cdk5−/− embryos. To further study this abnormal development, we generated and analyzed Dlx5/6‐Cre p35 conditional KO (cKO); p39−/− mice in which forebrain GABAergic neurons have lost their Cdk5 kinase activity. Defective formation of the nucleus accumbens and olfactory tubercles as well as neuronal loss in the striatum of Dlx5/6‐Cre p35cKO; p39−/− mice was found. Elevated levels of phosphorylated JNK were observed in neonatal striatal samples from Dlx5/6‐Cre p35cKO; p39−/− mice, suggestive of neuronal death. These results indicate that Cdk5 is required for the formation of the ventral striatum in a cell‐autonomous manner, and loss of the kinase activity of Cdk5 causes GABAergic neuronal death in the developing mouse forebrain. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 419–437, 2017
Improving the accuracy of estimates of animal path and travel distance using GPS drift‐corrected dead reckoning
Authors: Dewhirst Oliver P. , Evans Hannah K. , Roskilly Kyle , Harvey Richard J. , Hubel Tatjana Y. , Wilson Alan M.
Published: August 2016

Route taken and distance travelled are important parameters for studies of animal locomotion. They are often measured using a collar equipped with GPS. Collar weight restrictions limit battery size, which leads to a compromise between collar operating life and GPS fix rate. In studies that rely on linear interpolation between intermittent GPS fixes, path tortuosity will often lead to inaccurate path and distance travelled estimates. Here, we investigate whether GPS‐corrected dead reckoning can improve the accuracy of localization and distance travelled estimates while maximizing collar operating life. Custom‐built tracking collars were deployed on nine freely exercising domestic dogs to collect high fix rate GPS data. Simulations were carried out to measure the extent to which combining accelerometer‐based speed and magnetometer heading estimates (dead reckoning) with low fix rate GPS drift correction could improve the accuracy of path and distance travelled estimates. In our study, median 2‐dimensional root‐mean‐squared (2D‐RMS) position error was between 158 and 463 m (median path length 16.43 km) and distance travelled was underestimated by between 30% and 64% when a GPS position fix was taken every 5 min. Dead reckoning with GPS drift correction (1 GPS fix every 5 min) reduced 2D‐RMS position error to between 15 and 38 m and distance travelled to between an underestimation of 2% and an overestimation of 5%. Achieving this accuracy from GPS alone would require approximately 12 fixes every minute and result in a battery life of approximately 11 days; dead reckoning reduces the number of fixes required, enabling a collar life of approximately 10 months. Our results are generally applicable to GPS‐based tracking studies of quadrupedal animals and could be applied to studies of energetics, behavioral ecology, and locomotion. This low‐cost approach overcomes the limitation of low fix rate GPS and enables the long‐term deployment of lightweight GPS collars.
Predation or scavenging? Prey body condition influences decision‐making in a facultative predator, the wolverine
Authors: Mattisson Jenny , Rauset Geir Rune , Odden John , Andrén Henrik , Linnell John D. C. , Persson Jens
Published: August 2016

The interaction between predators and their prey is a key factor driving population dynamics and shaping wildlife communities. Most predators will scavenge in addition to killing their own prey, which alters predation effects and implies that one cannot treat these as independent processes. However, the relative importance of predation vs. scavenging and the mechanisms driving variation of such are relatively unstudied in ecological research on predator–prey relationships. Foraging decisions in facultative predators are likely to respond to environmental conditions (e.g., seasonality) and inter‐ or intraspecific interactions (e.g., prey availability, presence of top predators, scavenging competition). Using data on 41 GPS‐collared wolverines (Gulo gulo) during 2401 monitoring days, in four study sites in Scandinavia, we studied variation in diet and feeding strategies (predation vs. scavenging), along a gradient of environmental productivity, seasonality, density, and body mass of their main prey, semidomestic reindeer (Rangifer tarandus). The most important factor affecting the relative extent of predation and scavenging was mean prey body mass. Predation was more pronounced in summer, when vulnerable reindeer calves are abundant, and individual kill rates were negatively related to local reindeer body mass. This relationship was absent in winter. The probability of scavenging was higher in winter and increased with decreasing local reindeer body mass, likely as a response to increased carrion supply. Wolverine feeding strategy was further influenced by predictable anthropogenic food resources (e.g., slaughter remains from hunted ungulates) and the presence of a top predator, Eurasian lynx (Lynx lynx), which provided a continuous carrion supply promoting scavenging. Our results suggest that wolverine feeding strategies are flexible and strongly influenced by seasonally dependent responses to prey body condition in combination with carrion supply. This study demonstrates that large‐scale environmental variation can result in contrasting predator feeding strategies, strongly affecting trophic interactions and potentially shaping the dynamics of ecological communities.
A Dual‐Characteristic Bidentate Ligand for a Ternary Mononuclear Europium(III) Molecular Complex – Synthesis, Photophysical, Electrochemical, and Theoretical Study
Authors: Rajamouli Boddula , Sood Puneet , Giri Santanab , Krishnan Venkata , Sivakumar Vaidyanathan
Published: August 2016

The new bipolar ligand 4‐{1‐(9,9‐diethyl‐9H‐fluoren‐2‐yl)‐1H‐imidazo[4,5‐f][1,10]phenanthrolin‐2‐yl}‐N,N‐diphenylbenzenamine (Phen‐Fl‐TPA) and its β‐diketonate EuIII complex have been designed, synthesized, characterized, and their photophysical and electrochemical properties have been investigated. The UV/Vis absorption and photoluminescence (PL) emission spectra of the Eu complex and Phen‐Fl‐TPA in solution as well as in the solid state and as thin films were recorded. The PL study indicated that the Eu complex emits narrow‐band red emission with an appropriate International Commission on Illumination (CIE) color gamut. Moreover, it also confirmed the efficient energy transfer from the ligand to the Eu3+ ion. Time‐dependent DFT (TD‐DFT) calculations were performed for the ligand to determine the exact positions of the excited singlet and triplet energy levels. The EuIII complex shows a dominant pathway involving energy transfer between the ligand triplet level and the excited (5D0) level of the EuIII ion. In addition, the theoretically calculated UV/Vis spectrum of the ligand is similar to the experimental one. The Judd–Ofelt theory was applied to the emissive properties of the EuIII complex, and the lifetime was found to be 0.66 ms. The ground‐state optimized ligand structure was a good match with the single‐crystal structure. The photoluminescence quantum yield (PLQY) of Eu(TTA)3Phen‐Fl‐TPA (TTA = thenoyltrifluoroacetone) in solution was 34.1 %, and it possess a high thermal decomposition temperature (317 °C), as determined by differential scanning calorimetry/thermogravimetric analysis (DSC‐TGA). Electrochemical analysis revealed highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels for the EuIII complex of 5.6 and 2.8 eV, respectively.
Syntheses of [Pt6(CO)8(SnCl2)(SnCl3)4]4–and [Pt6(CO)8(SnCl2)(SnCl3)2(PPh3)2]2–Platinum–Carbonyl Clusters Decorated by SnIIFragments
Authors: Bortoluzzi Marco , Ceriotti Alessandro , Cesari Cristiana , Ciabatti Iacopo , Della Pergola Roberto , Femoni Cristina , Iapalucci Maria Carmela , Storione Alba , Zacchini Stefano
Published: August 2016

The reaction of [Pt6(CO)6(SnCl2)2(SnCl3)4]4–(1) with CO under atmospheric pressure resulted in the new [Pt6(CO)8(SnCl2)(SnCl3)4]4–(2) cluster by the addition of two CO ligands and the elimination of a stannylene SnCl2group. In turn,2reacted with 2 equivalents of PPh3under a CO atmosphere to afford [Pt6(CO)8(SnCl2)(SnCl3)2(PPh3)2]2–(3) by elimination of two stannyl [SnCl3]–ligands. Conversely, the reaction of2with 2 equivalents of PPh3under a N2atmosphere resulted in a species tentatively formulated as [Pt6(CO)5(SnCl2)2(SnCl3)2(PPh3)2]2–(4–5CO) on the basis of13C NMR,31P NMR spectroscopy and ESI‐MS studies. Compounds2–4were spectroscopically characterized by IR spectroscopy and multinuclear (13C and31P) variable‐temperature NMR spectroscopy. The crystal structures of2and3were determined by means of single‐crystal X‐ray diffraction, and their bonding was computationally investigated by DFT calculations. The possible structure of4–5CO was predicted by means of DFT methods.
Field‐Induced Single‐Ion‐Magnetic Behavior of Octahedral CoII in a Two‐Dimensional Coordination Polymer
Authors: Mondal Amit Kumar , Khatua Sajal , Tomar Kapil , Konar Sanjit
Published: August 2016

Invited for the cover of this issue is the group of Dr. Sanjit Konar from the Indian Institute of Science Education and Research, Bhopal, India. The cover image shows field‐induced slow magnetic relaxation of an octahedral CoII center in a two‐dimensional coordination polymer. The rare [4+4] metallocyclic building blocks lead to separated, magnetically isolated CoII centers, which show slow relaxation.
N‐tert‐Butylsulfinyl‐3,3,3‐trifluoroacetaldimine: Versatile Reagent for Asymmetric Synthesis of Trifluoromethyl‐Containing Amines and Amino Acids of Pharmaceutical Importance
Authors: Mei Haibo , Xie Chen , Han Jianlin , Soloshonok Vadim A.
Published: August 2016

Synthetic methods for the preparation of compounds containing trifluoromethyl groups are in extremely high demand in nearly every sector of the chemical industry. Over the last several years the chemistry of N‐tert‐butylsulfinyl‐3,3,3‐trifluoroacetaldimine has undergone particular development. Currently, it is commonly used as a versatile reagent for general asymmetric synthesis of trifluoromethyl‐containing amines and amino acids of pharmaceutical potential. This review provides a critical and comprehensive overview of synthetic applications of this reagent as well as of several relevant analogues, such as aldimines containing –CHF2, –CClF2, –CBrF2, and –CF2P(O)(OEt)2 groups and N‐tert‐butylsulfinyl‐3,3,3‐trifluoromethyl‐substituted ketimines. Where it is possible, we emphasize the structural novelty and pharmaceutic value of the products obtainable by application of these reagents.
Electrochemical Detection of Cardiac Biomarkers Utilizing Electrospun Multiwalled Carbon Nanotubes Embedded SU‐8 Nanofibers
Authors: Prakash M. Durga , Singh S. G. , Sharma C. S. , Krishna V. Siva Rama
Published: August 2016

In this paper we demonstrate synthesis and characterization of MWCNTs embedded SU‐8 electrospun nanofibers and their application towards ultrasensitive detection of cardiac biomarkers using Electrochemical Impedance spectroscopy (EIS). The composite nanofibers have excellent electrical and transduction properties owing to the presence of MWCNTs in addition to ease of functionalization and biocompatibility, which can be attributed to the presence of SU‐8. Thus the synthesized nanofibers are ideal candidates for sensitive biosensor applications. As a proof concept, the detection of cardiac biomarkers, Myoglobin (Myo), cardiac Troponin I (cTn I) and Creatine Kinase MB (CK‐MB) is demonstrated. The synthesized nanofibers were functionalized with the antibodies of the biomarkers and the detection was carried using Electrochemical Impedance Spectroscopy, an excellent technique for understanding the adsorption kinetics. A minimum detection limit of nano‐gram/ml is demonstrated using this nanobiosensor platform.
Electrochemiluminescence of Acridines
Authors: Majeed Saadat , Gao Wenyue , Zholudov Yuriy , Muzyka Kateryna , Xu Guobao
Published: August 2016

Acridines play an important role in various fields of sciences. Besides their application for treatment of a number of infections, cancer, viral and prion diseases, they have been extensively used in chemiluminescence. Electrochemiluminescence (ECL) is a unique kind of chemiluminescence with the precise temporal and spatial control of light emitting reactions by utilizing electrochemistry techniques. These advantages result in increasing attention towards acridines ECL. This review summarizes acridines used in ECL, ECL mechanisms, strategies for increasing ECL intensities, and ECL analytical applications, as well as prospects the future development of acridine ECL.
Dimensional Analysis of Auger‐Type Fast Pyrolysis Reactors
Authors: Funke Axel , Henrich Edmund , Dahmen Nicolaus , Sauer Jörg
Published: August 2016

Modeling of fast pyrolysis reactors is challenging, even with state of the art computational tools and design, because rules to scale up well‐running fast pyrolysis reactors are missing. Dimensional analysis is a classical tool to evaluate complex processes on a scientific basis and its application to fast pyrolysis is presented herein. Using the example of auger‐type fast pyrolysis reactors, it is shown that scale‐up can be reduced to a set of simple design rules. Full similarity of reaction conditions can never be achieved for fast pyrolysis in general, but it is shown which similarities are affected and to which extent they change. Dimensionless numbers derived from this analysis can even be used to describe the influence of parameters on the reactor performance; however, a significant reduction in complexity is required to achieve a practical relevance list. Strategies are outlined to achieve such a reduction based on partial similarities of rate‐determining steps.
Structural and Electrochemical Properties of Calendered Lithium Manganese Oxide Cathodes
Authors: Schilcher Christiane , Meyer Chris , Kwade Arno
Published: August 2016

Lithium manganese oxide in a spinel structure (LiMn2O4, LMO) is a cathode material of non‐toxicity, low costs, and a high electrochemical potential. In contrast manganese dissolution, structural fatigue, and microcracks lead to poor cycling stability and capacity fading. Regarding a basic understanding of the influence of the calendering process and the consequent electrode structure on the life span of sensitive active materials, cathodes with various coating densities have been manufactured and analyzed in terms of structural and mechanical properties. Consequences of high mechanical stress applied by calendering in order to achieve the desired cathode densities are breakages of the active material particles, leading to a diminished life span during the electrochemical characterization. An optimal coating density of ca. 2 g cm−3 for the investigated cathodes as a compromise of C‐rate performance, due to electrical conductivity, and long‐term cycling has been found.
Cobalt Oxide–Tin Core–Shell Nanowire Arrays as High‐Performance Electrodes for Lithium‐Ion Batteries
Authors: Wu Man , Du Ning , Wu Hao , Liu Wei , Chen Yifan , Zhao Wenjia , Yang Deren
Published: August 2016

Both cobalt oxide and tin are electrochemically active materials, and can be integrated into hybrid core–shell nanowire structures that can participate in lithium‐ion insertion‐deinsertion process. We demonstrate the synthesis of cobalt oxide–tin (Co3O4–Sn) core–shell nanowire arrays by the hydrothermal synthesis of Co3O4 nanowire arrays and subsequent deposition of the tin layer via a RF‐sputtering method. When used as anode materials in lithium‐ion batteries, the Co3O4–Sn core–shell nanowire electrodes show better cyclability and enhanced rate capacities compared to bare Co3O4 electrodes. The improved performance can be attributed to the introduction of the tin layer, which improves the electrical conductivity and structural stability of the Co3O4 nanowire arrays.
Wildfire effects on road surface erosion, deposition, and road–stream connectivity
Authors: Sosa‐Pérez Gabriel , MacDonald Lee
Published: August 2016

High and moderate severity wildfires should increase sediment production from unpaved roads due to the increased surface runoff from upslope, and increase road–stream connectivity due to the decrease in downslope surface roughness as well as the increase in surface runoff and erosion. Because no study has documented these effects, we surveyed road surface erosion features and quantified road–stream connectivity as a function of fire severity and road segment characteristics. The data were collected one year after the High Park wildfire from 141 hydrologically distinct road segments along 6.8 km of an unpaved road west of Fort Collins, Colorado. Road segments below areas burned at high and moderate severity had significantly more rills than road segments below areas that burned at low severity. Road segment slope was an important control on the proportion of segment length with rills, and the strength of the relationship between road segment slope and the amount of rilling increased with burn severity. Flatter road segments tended to capture the sediment eroded from upslope burned areas. In areas burned at high and moderate severity all of the road segments had drainage features extending to a stream, and 78% of the segments in areas burned at low severity also were connected. These exceptionally high rates of road–stream connectivity are attributed to the increased runoff from upslope, the segment‐scale collection and funneling of hillslope and road surface runoff to a single drainage point, and the reduced infiltration and trapping capacity of the burned area below the road. The results show the need to either outslope the roads or increase the frequency of constructed drainage features after wildfires, particularly for steeper road segments in areas burned at high or moderate severity. Copyright © 2016 John Wiley & Sons, Ltd.