bluuebunny/crossref_metadata_2025 huggingface dataset:
The Road to a Nuclear-Free Japan
Authors: Kan Naoto , Irish Jeffrey S.
Published: May 2017

This chapter describes Japanese Prime Minister Naoto Kan's thoughts and activities following his resignation. He says that we must continue to give earthquake victims comprehensive, long-term support, especially those who were forced to evacuate and unable to return to their intact homes located near the Fukushima nuclear power plant. He calls for the increased use of alternative and renewable energies in order to move away from the use of nuclear energy. He also discusses visits to renewable energy sites in Europe; the true costs of nuclear power; the absence of so-called “back end” solutions, i.e., the intermediate storage of spent fuel, its reprocessing, and the treatment and disposal of radioactive waste; the problem of electric company insolvency; and dismantling the nuclear village.
Comparison of preribosomal RNA processing pathways in yeast, plant and human cells – focus on coordinated action of endo‐ and exoribonucleases
Authors: Tomecki Rafal , Sikorski Pawel J. , Zakrzewska‐Placzek Monika
Published: May 2017

Proper regulation of ribosome biosynthesis is mandatory for cellular adaptation, growth and proliferation. Ribosome biogenesis is the most energetically demanding cellular process, which requires tight control. Abnormalities in ribosome production have severe consequences, including developmental defects in plants and genetic diseases (ribosomopathies) in humans. One of the processes occurring during eukaryotic ribosome biogenesis is processing of the ribosomal RNA precursor molecule (pre‐rRNA), synthesized by RNA polymerase I, into mature rRNAs. It must not only be accurate but must also be precisely coordinated with other phenomena leading to the synthesis of functional ribosomes: RNA modification, RNA folding, assembly with ribosomal proteins and nucleocytoplasmic RNP export. A multitude of ribosome biogenesis factors ensure that these events take place in a correct temporal order. Among them are endo‐ and exoribonucleases involved in pre‐rRNA processing. Here, we thoroughly present a wide spectrum of ribonucleases participating in rRNA maturation, focusing on their biochemical properties, regulatory mechanisms and substrate specificity. We also discuss cooperation between various ribonucleolytic activities in particular stages of pre‐rRNA processing, delineating major similarities and differences between three representative groups of eukaryotes: yeast, plants and humans.
Computational approaches for interpreting scRNA‐seq data
Authors: Rostom Raghd , Svensson Valentine , Teichmann Sarah A. , Kar Gozde
Published: May 2017

The recent developments in high‐throughput single‐cell RNA sequencing technology (scRNA‐seq) have enabled the generation of vast amounts of transcriptomic data at cellular resolution. With these advances come new modes of data analysis, building on high‐dimensional data mining techniques. Here, we consider biological questions for which scRNA‐seq data is used, both at a cell and gene level, and describe tools available for these types of analyses. This is an exciting and rapidly evolving field, where clustering, pseudotime inference, branching inference and gene‐level analyses are particularly informative areas of computational analysis.
Biphasic Supramolecular Self‐Assembly of Ferric Ions and Tannic Acid across Interfaces for Nanofilm Formation
Authors: Kim Beom Jin , Han Sol , Lee Kyung‐Bok , Choi Insung S.
Published: May 2017

Cell nanoencapsulation provides a chemical tool for the isolation and protection of living cells from harmful, and often lethal, external environments. Although several strategies are available to form nanometric films, most methods heavily rely on time‐consuming multistep processes and are not biocompatible. Here, the interfacial supramolecular self‐assembly and film formation of ferric ions (FeIII) and tannic acid (TA) in biphasic systems is reported, where FeIII and TA come into contact each other and self‐assemble across the interface of two immiscible phases. The interfacial nanofilm formation developed is simple, fast, and cytocompatible. Its versatility is demonstrated with various biphasic systems: hollow microcapsules, encasing microbial or mammalian cells, that are generated at the water–oil interface in a microfluidic device; a cytoprotective FeIII–TA shell that forms on the surface of the alginate microbead, which then entraps probiotic Lactobacillus acidophilus; and a pericellular FeIII–TA shell that forms on individual Saccharomyces cerevisiae. This biphasic interfacial reaction system provides a simple but versatile structural motif in materials science, as well as advancing chemical manipulability of living cells.
Bioinspired Composite Microfibers for Skin Adhesion and Signal Amplification of Wearable Sensors
Authors: Drotlef Dirk‐M. , Amjadi Morteza , Yunusa Muhammad , Sitti Metin
Published: May 2017

A facile approach is proposed for superior conformation and adhesion of wearable sensors to dry and wet skin. Bioinspired skin‐adhesive films are composed of elastomeric microfibers decorated with conformal and mushroom‐shaped vinylsiloxane tips. Strong skin adhesion is achieved by crosslinking the viscous vinylsiloxane tips directly on the skin surface. Furthermore, composite microfibrillar adhesive films possess a high adhesion strength of 18 kPa due to the excellent shape adaptation of the vinylsiloxane tips to the multiscale roughness of the skin. As a utility of the skin‐adhesive films in wearable‐device applications, they are integrated with wearable strain sensors for respiratory and heart‐rate monitoring. The signal‐to‐noise ratio of the strain sensor is significantly improved to 59.7 because of the considerable signal amplification of microfibrillar skin‐adhesive films.
Synthesis of High‐Quality Graphene and Hexagonal Boron Nitride Monolayer In‐Plane Heterostructure on Cu–Ni Alloy
Authors: Lu Guangyuan , Wu Tianru , Yang Peng , Yang Yingchao , Jin Zehua , Chen Weibing , Jia Shuai , Wang Haomin , Zhang Guanhua , Sun Julong , Ajayan Pulickel M. , Lou Jun , Xie Xiaoming , Jiang Mianheng
Published: May 2017

Graphene/hexagonal boron nitride (h‐BN) monolayer in‐plane heterostructure offers a novel material platform for both fundamental research and device applications. To obtain such a heterostructure in high quality via controllable synthetic approaches is still challenging. In this work, in‐plane epitaxy of graphene/h‐BN heterostructure is demonstrated on Cu–Ni substrates. The introduction of nickel to copper substrate not only enhances the capability of decomposing polyaminoborane residues but also promotes graphene growth via isothermal segregation. On the alloy surface partially covered by h‐BN, graphene is found to nucleate at the corners of the as‐formed h‐BN grains, and the high growth rate for graphene minimizes the damage of graphene‐growth process on h‐BN lattice. As a result, high‐quality graphene/h‐BN in‐plane heterostructure with epitaxial relationship can be formed, which is supported by extensive characterizations. Photodetector device applications are demonstrated based on the in‐plane heterostructure. The success will have important impact on future research and applications based on this unique material platform.
A green process for recovery of H2SO4 and Fe2O3 from FeSO4·7H2O by modeling phase equilibrium of the Fe(П)––H+–Cl– system
Authors: Zhang Yan , Li Zhibao , Zeng Yan , Demopoulos George P.
Published: May 2017

Ferrous sulfate heptahydrate FeSO4·7H2O is a major waste produced in titanium dioxide industry by the sulfate process and has caused heavy environmental problem. A new green process for the treatment of FeSO4·7H2O was proposed to make use of iron source and recycle sulfate source as H2SO4. It was found that by adding concentrated HCl to the FeSO4 solution, FeCl2·4H2O was crystallized out, which was subsequently calcined to produce Fe2O3 and HCl. Concentrated H2SO4 solution (about 65 wt %) was obtained by evaporating the FeCl2·4H2O‐saturated filtrate. To facilitate the process development and design, the solubilities of FeCl2·4H2O in HCl, H2SO4, and HCl + H2SO4 solutions were measured and the experimental data were regressed with both the mixed‐solvent electrolyte model and the electrolyte NRTL model. On the basis of the prediction of the optimum conditions for the crystallization of FeCl2·4H2O, material balance of the new process was calculated. FeCl2·4H2O and Fe2O3 were obtained from a laboratory‐scale test with about 70% recovery of ferrous source for a single cycle, indicating the feasibility of the process. © 2017 American Institute of Chemical Engineers AIChE J, 63: 4549–4563, 2017
Effects of protein properties on adsorption and transport in polymer‐grafted ion exchangers: A multiscale modeling study
Authors: Basconi Joseph E. , Carta Giorgio , Shirts Michael R.
Published: May 2017

We use multiscale modeling to study how the molecular properties of a protein affect its adsorption and transport in ion exchange chromatography matrices with either open pores or charged polymers grafted into the pore structure. Coarse‐grained molecular dynamics (MD) simulations of lysozyme, bovine serum albumin, and immunoglobulin show that higher protein net charge leads to greater partitioning into the polymer‐grafted pore space but slower diffusion there due to favorable electrostatic interactions, while larger size decreases both pore space partitioning and diffusion due to steric effects of the polymers. Mass transfer simulations based on the MD results show that the polymer‐grafted systems can enhance the adsorption kinetics if pore space partitioning and diffusion are both sufficiently high. The simulations illustrate that to achieve fast adsorption kinetics, there is a tradeoff between favorable binding and rapid diffusion which largely depends on the charge and size of the protein. © 2017 American Institute of Chemical Engineers AIChE J, 63: 4564–4575, 2017
Competition between Arene–Perfluoroarene and Charge‐Transfer Interactions in Organic Light‐Harvesting Systems
Authors: Sun Yanqiu , Lei Yilong , Liao Liangsheng , Hu Wenping
Published: May 2017

Two typical types of luminescent organic cocrystals comprising pyrene–octafluoronaphthalene (pyrene–OFN) and pyrene–1,2,4,5‐tetracyanobezene (pyrene–TCNB) were developed by a simple supramolecular assembly strategy. The cocrystals exhibit distinct optical properties because of their different intermolecular interaction modes; that is, arene–perfluoroarene (AP) and charge‐transfer (CT) interactions. Unexpectedly, a pyrene–TCNB system with strong CT interactions was incorporated into a pyrene–OFN host as a robust guest to generate white‐light emission (WLE). In the supramolecular cocrystal system, an efficient energy‐transfer process from pyrene–OFN to pyrene–TCNB occurred because of the well‐matched spectra of the constituents and a desirable energy donor/acceptor (D/A) distance. The present competitive intermolecular interaction strategy could be applied to the fabrication of more complicated organic light‐harvesting systems.
Bandgap Engineering of Lead‐Free Double Perovskite Cs2AgBiBr6 through Trivalent Metal Alloying
Authors: Du Ke‐zhao , Meng Weiwei , Wang Xiaoming , Yan Yanfa , Mitzi David B.
Published: May 2017

The double perovskite family, A2MIMIIIX6, is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH3NH3PbI3. Given the generally large indirect band gap within most known double perovskites, band‐gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs2AgBiBr6 as host, band‐gap engineering through alloying of InIII/SbIII has been demonstrated in the current work. Cs2Ag(Bi1−xMx)Br6 (M=In, Sb) accommodates up to 75 % InIII with increased band gap, and up to 37.5 % SbIII with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs2Ag(Bi0.625Sb0.375)Br6. Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three‐metal systems are also assessed.
Methylammonium‐Mediated Evolution of Mixed‐Organic‐Cation Perovskite Thin Films: A Dynamic Composition‐Tuning Process
Authors: Li Chongwen , Zhou Yuanyuan , Wang Li , Chang Yue , Zong Yingxia , Etgar Lioz , Cui Guanglei , Padture Nitin P. , Pang Shuping
Published: May 2017

Methylammonium‐mediated phase‐evolution behavior of FA1−xMAxPbI3 mixed‐organic‐cation perovskite (MOCP) is studied. It is found that by simply enriching the MOCP precursor solutions with excess methylammonium cations, the MOCPs form via a dynamic composition‐tuning process that is key to obtaining MOCP thin films with superior properties. This simple chemical approach addresses several key challenges, such as control over phase purity, uniformity, grain size, composition, etc., associated with the solution‐growth of MOCP thin films with targeted compositions.
A pH Switch for β‐Sheet Protein Folding
Authors: Anderson Jordan M. , Andersen Niels H.
Published: May 2017

Protein design advancements have led to biotechnological strategies based on more stable and more specific structures. Herein we present a 6‐residue sequence (HPATGK) that acts as a stable structure‐nucleating turn at physiological and higher pH but is notably unfavorable for chain direction reversal at low pH. When placed into the turn of a β‐sheet, this leads to a pH switch of folding. Using a standard 3‐stranded β‐sheet model, the WW domain, it was found that the pH switch sequence insertion caused minimal change at pH 8 but a ca. 50 °C drop in the melting temperature (Tm) was observed at pH 2.5: ΔΔGF ≥11.3 kJ mol−1. Using the strategies demonstrated in this article, the redesign of β‐sheets to contain a global, or local, pH‐dependent conformational switch should be possible.
Identification of Multiple Druggable Secondary Sites by Fragment Screening against DC‐SIGN
Authors: Aretz Jonas , Baukmann Hannes , Shanina Elena , Hanske Jonas , Wawrzinek Robert , Zapol'skii Viktor A. , Seeberger Peter H. , Kaufmann Dieter E. , Rademacher Christoph
Published: May 2017

DC‐SIGN is a cell‐surface receptor for several pathogenic threats, such as HIV, Ebola virus, or Mycobacterium tuberculosis. Multiple attempts to develop inhibitors of the underlying carbohydrate–protein interactions have been undertaken in the past fifteen years. Still, drug‐like DC‐SIGN ligands are sparse, which is most likely due to its hydrophilic, solvent‐exposed carbohydrate‐binding site. Herein, we report on a parallel fragment screening against DC‐SIGN applying SPR and a reporter displacement assay, which complements previous screenings using 19F NMR spectroscopy and chemical fragment microarrays. Hit validation by SPR and 1H–15N HSQC NMR spectroscopy revealed that although no fragment bound in the primary carbohydrate site, five secondary sites are available to harbor drug‐like molecules. Building on key interactions of the reported fragment hits, these pockets will be targeted in future approaches to accelerate the development of DC‐SIGN inhibitors.
Solution NMR Structure of a Ligand/Hybrid‐2‐G‐Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding
Authors: Wirmer‐Bartoschek Julia , Bendel Lars Erik , Jonker Hendrik R. A. , Grün J. Tassilo , Papi Francesco , Bazzicalupi Carla , Messori Luigi , Gratteri Paola , Schwalbe Harald
Published: May 2017

Telomeric G‐quadruplexes have recently emerged as drug targets in cancer research. Herein, we present the first NMR structure of a telomeric DNA G‐quadruplex that adopts the biologically relevant hybrid‐2 conformation in a ligand‐bound state. We solved the complex with a metalorganic gold(III) ligand that stabilizes G‐quadruplexes. Analysis of the free and bound structures reveals structural changes in the capping region of the G‐quadruplex. The ligand is sandwiched between one terminal G‐tetrad and a flanking nucleotide. This complex structure involves a major structural rearrangement compared to the free G‐quadruplex structure as observed for other G‐quadruplexes in different conformations, invalidating simple docking approaches to ligand–G‐quadruplex structure determination.
Cure kinetics of epoxy/MWCNTs nanocomposites: Nonisothermal calorimetric and rheokinetic techniques
Authors: Saeb Mohammad Reza , Rastin Hadi , Nonahal Milad , Ghaffari Mehdi , Jannesari Ali , Formela Krzysztof
Published: May 2017

Nonisothermal calorimetric and isothermal rheokinetic analyses were used to study cure kinetics of epoxy/anhydride systems containing very low concentration of pristine and amine‐functionalized multiwalled carbon nanotubes (MWCNTs). Isoconversional methods were applied in calorimetric modeling of cure kinetics. Eα vs. α dependency and autocatalytic nature of curing were identified for both types of nanocomposites by isoconversional models. Fall in Eα value from 90 to 82.5 kJ mol−1 thanks to amine functionalization (with Eα of blank epoxy/anhydride of 80.3 kJ mol−1) was indicative of high potential of nanocomposites to cure at low concentration of functionalized MWCNTs (0.1 g with respect to 100 g of resin). Times of gelation and vitrification of epoxy were measured using storage and loss modulus data provided by isothermal rheokinetic analysis, showing a drop upon attachment of amine groups to MWCNTs. In complete agreement with nonisothermal calorimetric studies, variation of storage and loss modulus of nanocomposites confirmed hindered/accelerated cure devoted to pristine/amine‐functionalized MWCNTs. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45221.
Prediction of average droplet size in flowing immiscible polymer blends
Authors: Fortelný Ivan , Jůza Josef
Published: May 2017

The paper is focused on calculation of the average droplet size in immiscible blends during their steady flow. Available theoretical and experimental results of studies of the droplet breakup and coalescence are utilized to derive the equations describing dynamic equilibrium between the droplet breakup and coalescence. New expression for the coalescence efficiency, reliably reflecting recent theoretical results, is proposed. The equation for the average steady droplet size, controlled by the stepwise breakup mechanism and coalescence of droplets with not very different sizes, is derived for blends containing up to 10–20 vol % of the droplets. For blends with above approximate 20 vol % of the droplets, the breakup by the Tomotika mechanism and coalescence in highly polydisperse system is modeled. Results of the derived equations are compared with experimental data; qualitative agreement is found for the dependence of the droplet size on the amount of the dispersed phase. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45250.
A bilinear constitutive response for polyureas as a function of temperature, strain rate and pressure
Authors: Zhang Xiaoqiong , Wang Jianjun , Guo Weiguo , Zou Ruilu
Published: May 2017

Polyurea is widely applied as a coating material to increase the survivability of structures under impact loading. In this study, a systematic experimental program about the stress–strain behaviors of two polyaspartic esters polyureas is conducted over the temperature range of 233 K–293 K and strain rate range of 0.001/s–15,000/s, including the high‐pressure effects on the response of the polyureas. Based on the experimental results, the effects of temperature, strain rate, and pressure on the stress–strain behaviors are analyzed, the mechanical properties of the two polyureas are compared. The temperature and strain rate dependences of the Young's modulus, yield stress, and strain hardening slope are modeled. Finally, a bilinear constitutive model is proposed to describe the temperature, strain rate, and pressure dependences of the stress–strain behaviors. The model predictions, which agree well with the experimental results, provide basis for the application of the two polyureas. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45256.
Laccase‐containing ureasil–polymer composite as the sensing layer of an amperometric biosensor
Authors: Kavetskyy Taras , Smutok Oleh , Gonchar Mykhailo , Demkiv Olha , Klepach Halyna , Kukhazh Yuliia , Šauša Ondrej , Petkova Tamara , Boev Victor , Ilcheva Vania , Petkov Plamen , Stepanov Andrey L.
Published: May 2017

Innovative amperometric biosensors for monitoring the level of wastewater pollution have been constructed on the surface of the gold planar electrodes C220AT “DropSens” by using the organic–inorganic ureasil‐based composites as host matrixes and immobilized commercial laccase from Trametes versicolor. It was found that the biosensor based on the ureasil–chalcogenide glass composite is characterized by a very high sensitivity (67,540 А M−1 m−2) that is 38.3 times higher than for pure ureasil (the sensitivity of the bioelectrode was calculated as 1762 А M−1 m−2). On the other hand, application of the ureasil–chalcogenide glass composite with incorporated silver nanoparticles (NPs) synthesized by high‐dose (1.0 × 1017 Ag+/cm2) 30 keV Ag+ ion implantation results in decreasing the biosensor sensitivity up to 2390 times (the sensitivity of the bioelectrode was 28.3 А M−1 m−2). The role of additives (chalcogenide glass and silver NPs) in the ureasil matrix on the biofunctionality of the biosensors produced is considered. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45278.
Forelimb Myology of Carnivorous Marsupials (Marsupialia: Dasyuridae): Implications for the Ancestral Body Plan of the Australidelphia
Authors: Warburton Natalie M. , Marchal Charlie‐Rose
Published: May 2017

Carnivorous marsupials of the family Dasyuridae represent a more generalized anatomical condition of both craniodental and postcranial features in comparison to other groups of Australidelphian marsupials. Plesiomorphic characters include polyprotodont dentition, didactylous (rather than syndactylous) pedal morphology, the retention of clavicles and epipubic bones, and an unossified patelloid. In light of the anatomy of the postcranial skeleton, we hypothesized that the muscular anatomy of the Dasyuridae would likely display a range of plesiomorphic traits. We performed gross anatomical dissection on the forelimbs of four species of dasyurid marsupials to produce anatomical descriptions and muscle origin and insertion maps for Dasyurus geoffroii, D. hallucatus, and Phascogale tapoatafa, together with comparative notes for Antechinus flavipes. These new descriptions were then compared with those of other marsupials from the published literature in order to establish the principal patterns in forelimb muscular anatomy. In nearly all aspects of anatomy, we found that the arrangement of the muscular origins and insertions, and the relative degree of separation between muscle bellies among dasyurids, provide a natural starting point from which the anatomies of other Australidelphian marsupial groups can be derived. Anat Rec, 300:1589–1608, 2017. © 2017 Wiley Periodicals, Inc.
The impact of Teach First on pupil attainment at age 16
Authors: Allen Rebecca , Allnutt Jay
Published: May 2017

We evaluate whether the placement of Teach First's inexperienced new teachers into secondary schools with recruitment difficulties in disadvantaged areas in England has raised or lowered pupil attainment at the age of 16. Our matched difference‐in‐difference panel estimation approach compares the experiences of 168 schools participating early on in the scheme to those in the same region who will go on to participate in later years. We find the programme has not been damaging to these schools who joined and most likely produced school‐wide gains in GCSE results of around one grade in one of the pupils’ best eight subjects. Similarly, we estimate departmental gains of over 5% of a subject grade resulting from placing a Teach First participant in a teaching team of six teachers. The estimation approach cannot assert whether these gains arise solely through the greater teaching quality of Teach First participants compared to those they displace, or whether spillovers raise standards across the department or somehow change the ethos within the school.
A highly sensitive resonance Rayleigh scattering and colorimetric assay for the recognition of propranolol in β‐adrenergic blocker
Authors: Tan Xuanping , Yang Jidong , Yang Qiong , Li Qin
Published: May 2017

In this work, a highly sensitive, citrate anion‐capped gold nanoparticles (AuNPs)‐based assay for the determination of propranolol in real samples with resonance Rayleigh scattering (RRS) and colorimetry was developed. When AuNPs were prepared by the sodium citrate reduction method, citrate anions self‐assembled on the surface of AuNPs to form supramolecular complex anions. In BR 4.6 buffer solution, propranolol was positively charged and could bind with AuNPs to form larger aggregates through electrostatic force and hydrophobic effects. This results in remarkable enhancement of the RRS intensity and a color change in the AuNPs solution from red to blue via purple. Thus, a highly sensitive RRS and colorimetric assay the for detection of propranolol was developed with a linear range of 0.2–5.2 and 8–112 ng/ml, respectively. In addition, no difference was seen when comparing R‐propranolol with S‐propranolol, therefore, this method could not be used in the recognition of chiral propranolol. However, upon addition of other β‐adrenergic blockers, no phenomenon like that seen with propranolol was observed, meaning that this method can be used for determining the presence of propranolol in a mixture β‐adrenergic blockers. Finally, the optimum conditions, factors influencing the reaction, its mechanism and the reasons for enhancement of the RRS were discussed.
Interaction studies of copper complex containing food additive carmoisine dye with human serum albumin (HSA): Spectroscopic investigations
Authors: Shahabadi Nahid , Akbari Alireza , Jamshidbeigi Mina , Fili Soraya Moradi
Published: May 2017

In this study, the interaction between human serum albumin (HSA) and a copper complex of carmoisine dye; [Cu(carmoisine)2(H2O)2], was studied in vitro using multi‐spectroscopic methods. It was found that the intrinsic fluorescence of HSA was quenched by the addition of the [Cu(carmoisine)2(H2O)2] complex and the quenching mechanism was considered as static quenching by formation of a [Cu(carmoisine)2(H2O)2]–HSA complex. The binding constant was about 104 M−1 at room temperature. The values of the calculated thermodynamic parameters (ΔH < 0 and ΔS > 0) suggested that both hydrogen bonds and the hydrophobic interactions were involved in the binding process. The site marker competitive experiments revealed that the binding of [Cu(carmoisine)2(H2O)2] to HSA primarily occurred in subdomain IIIA (site II) of HSA. The results of circular dichroism (CD) and UV–vis spectroscopy showed that the micro‐environment of amino acid residues and the conformation of HSA were changed after addition of the [Cu(carmoisine)2(H2O)2] complex. Finally, the binding of the [Cu(carmoisine)2(H2O)2] complex to HSA was modelled by a molecular docking method. Excellent agreement was obtained between the experimental and theoretical results with respect to the binding forces and binding constant.
Formation of Porous Cu‐Doped CoSe2 Connected by Nanoparticles for Efficient Lithium Storage
Authors: Chen Dahong , Chen Gang , Pei Jian , Hu Yongyuan , Qin Zhongzheng , Wang Jinli , Wu Fugui
Published: May 2017

A porous structure is widely considered as an efficient way to improve lithium storage performance. In this paper, a novel porous Cu‐doped CoSe2 product is prepared by annealing a ZIF‐67 precursor and Se powder. This Cu‐doped CoSe2 sample is composed of interconnected nanoparticles. The average particle size of the nanoparticles is around 80 nm. When evaluated as anode materials for lithium‐ion batteries, this porous structure could effectively shorten the charge‐transport path and accommodate volume expansion during charge/discharge cycling. Therefore, porous Cu‐doped CoSe2 manifests both a superior rate capacity of about 747 mAh/g at 5 A/g and a stable cycling capacity of about 807 mAh/g for 200 cycles.
Insights into trans‐Ligand and Spin‐Orbit Effects on Electronic Structure and Ligand NMR Shifts in Transition‐Metal Complexes
Authors: Greif Anja H. , Hrobárik Peter , Kaupp Martin
Published: May 2017

Invited for the cover of this issue is the group of Martin Kaupp at the Technical University Berlin. The image depicts remarkably general and large trans ligand effects on NMR shifts in 5d transition‐metal complexes, and their main MO origins. Read the full text of the article at 10.1002/chem.201700884.
Ratiometric Hg2+/Ag+ Probes with Orange Red‐White‐Blue Fluorescence Response Constructed by Integrating Vibration‐Induced Emission with an Aggregation‐Induced Emission Motif
Authors: Li Yiru , Liu Yang , Zhou Haitao , Chen Wei , Mei Ju , Su Jianhua
Published: May 2017

Invited for the cover of this issue is the group of Ju Mei and Jianhua Su at the East China University of Science and Technology. The image depicts the highly sensitive ratiometric fluorometric probes achieved by integrating butterfly‐like VIE‐active luminogen with clover‐shaped AIEgen. Read the full text of the article at 10.1002/chem.201700945.
Organocatalytic Chemoselective Primary Alcohol Oxidation and Subsequent Cleavage of Lignin Model Compounds and Lignin
Authors: Dabral Saumya , Hernández José G. , Kamer Paul C. J. , Bolm Carsten
Published: May 2017

A one‐pot two‐step degradation of lignin β‐O‐4 model compounds initiated by preferred oxidation of the primary over the secondary hydroxyl groups with a TEMPO/DAIB system has been developed [TEMPO=2,2,6,6‐tetramethylpiperidine‐N‐oxyl, DAIB=(diacetoxy)iodobenzene]. The oxidised products are then cleaved by proline‐catalysed retro‐aldol reactions. This degradation methodology produces simple aromatics in good yields from lignin model compounds at room temperature with an extension to organosolv beech‐wood lignin (L1) resulting in known cleavage products.
Design of a CMOS multi‐rate adaptive continuous‐time equalizer based on power spectrum estimation
Authors: Gimeno Cecilia , Guerrero Erick , Sánchez‐Azqueta Carlos , Aguirre Javier , Aldea Concepción , Celma Santiago
Published: May 2017

An adaptive continuous‐time equalizer for reliable short‐haul high‐speed serial communications is described in this paper. The adaptive equalizer uses the spectrum‐balancing technique to adapt its response to changes in the bandwidth, amplitude, and bit rate of the input signal. In this way, it is able to compensate the frequency response of a 1‐mm diameter step‐index plastic optical fiber, for lengths up to 50 m, and bit rates ranging from 400 Mb/s to 2.5 Gb/s. Experimental results are shown to demonstrate its feasibility. Copyright © 2017 John Wiley & Sons, Ltd.
Recent upgrades of the harmonic radar for the tracking of the Asian yellow‐legged hornet
Authors: Milanesio Daniele , Saccani Maurice , Maggiora Riccardo , Laurino Daniela , Porporato Marco
Published: May 2017

The yellow‐legged Asian hornet is an invasive species of wasps, indigenous of the South‐East Asia but quickly spreading in Southern Europe. Because of its exponential diffusion and its serious threat to the local honey bee colonies and to humans as well, restraint measures are under investigation. Among them, the harmonic radar described in (Ecology and Evolution, 6, 2016 and 2170) already proved to be a quite effective way to follow the hornets to their nests; it is in fact capable of tracking the flying trajectory of these insects, once equipped with a small transponder, in their natural environment. The aforementioned harmonic radar was upgraded after a period of intense experimentation; the capture of the hornets was enhanced as well, and other improvements were adopted in the mounting procedure of the transponder. Thanks to these upgrades, the flying capabilities of the hornets were not reduced and a huge collection of data was recorded. The main upgrade to the radar was the adoption of the vertical polarization of the radiated field, with the consequent redesign and manufacturing of the antennas and the different mounting of the transceiver on the insect. The installation of the radar on a telescopic tower drastically improved the maneuverability of the system and the capability to follow the insects’ preferential flying directions. Eventually, the system was able to produce much more continuous traces with a clear indication of the most probable position of the nest. The maximum range of detection was also increased to 150 m.
C(sp3)–H Bond Activation Induced by Monohydroborane Coordination at an Iridium(III)–Phosphoramidate Complex
Authors: Drover Marcus W. , Christopherson Cheyenne J. , Schafer Laurel L. , Love Jennifer A.
Published: May 2017

Invited for the cover of this issue are the groups of Jennifer Love and Laurel Schafer from the University of British Columbia, Vancouver, Canada. The cover image shows a grain field, which grows as a function of phosphoramidate ligand functionalization. The article discusses C(sp3)–H functionalization of an iridium(III)–phosphoramidate complex using monohydroboranes.
Regiodivergent Chlorine‐Atom‐Transfer Ring‐Opening Reactions of Trichloromethylcyclopropanes
Authors: Doi Nobuyoshi , Takeda Norihiko , Miyata Okiko , Ueda Masafumi
Published: May 2017

A regiodivergent chlorine‐atom‐transfer reaction involving the ring‐opening of trichloromethylcyclopropanes was developed. Treatment of a trichloromethylcyclopropane with ZnMe2 provided the β‐chloro‐α‐dichlorovinyl ester with high stereoselectivity through a chloride‐anion‐mediated atom‐transfer ring‐opening reaction. In contrast, the use of CuCl afforded the α‐chloro‐β‐dichlorovinyl ester by a chlorine‐radical‐mediated atom‐transfer ring‐opening reaction.
The effect of red color on perceived self‐attractiveness
Authors: Berthold Anne , Reese Gerhard , Martin Judith
Published: May 2017

Recent research showed that individuals are perceived as more attractive when presented with the color red. We seek to extend these findings by studying the effects of red color on individuals' perception of self‐attractiveness, rather than the attractiveness of others. Based on the color‐in‐context theory, we hypothesized that individuals would perceive themselves as more attractive under red chromatic conditions. In three experiments, participants were asked to wear a red or a blue shirt and rated their own attractiveness. As expected, participants in the red shirt condition indicated a higher level of self‐attractiveness than participants in the blue condition. Moreover, the results showed that the self‐perception red effect was mediated by the individuals' self‐perceived sexual receptivity and self‐perceived status.
Solvent Effect on the Grafting of an Organophilic Silane Onto Smectite‐type Clay: Application as Electrode Modifiers for Pesticide Detection
Authors: Yanke Jenna Geralde Mbokana , Dedzo Gustave Kenne , Ngameni Emmanuel
Published: May 2017

The effect of a non‐swelling (toluene) and a swelling (ethylene glycol (EG)) solvent on the grafting of an organophilic silane (octyltriethoxisilane) onto a smectitic clay was investigated. XRD patterns of the resulting materials reveals that the grafting occurred exclusively on the edges of the clay particles without intercalation, as evidenced by the non‐variability of the d‐value before and after the grafting. FTIR and TGA characterizations show that higher amount of silane was grafted when toluene was used as solvent. With EG, the clay particles were well‐dispersed and the grafting well controlled. These functionalized materials were used as carbon paste electrode modifiers to evaluate their abilities for electrochemical detection of organophilic pollutants at trace level. Carbendazim (cbz), a widely used fungicide was used as model compound. The clay functionalized in EG was the most efficient modifier, due to the combined effect of the characteristics of the pristine clay and the grafted silane. The electroanalysis experimental parameters were carefully optimized (pH 6.8, 15 min of accumulation time and 10 % of the modifier in the carbon paste). By varying cbz concentration, a 0.03 μM detection limit was obtained. The sensor provide very reproducible response but strongly affected by some metal ions interferences. By varying cbz concentration in river water, used as environmental sample model, higher detection limit was obtained (0.2 μM), due to interfering species.
Electrochemical Immunosensors for the Rapid Screening of Cystic Fibrosis and Duchenne Muscular Dystrophy
Authors: Alshehri Nawal , Eissa Shimaa , Balobaid Laila , Abdel Rahman Anas M. , Dasouki Majed , Zourob Mohammed
Published: May 2017

Cystic Fibrosis (CF) and Duchenne Muscular Dystrophy (DMD) are well characterized progressive inherited diseases associated with significant morbidity and mortality. Therefore, the early, rapid and affordable diagnosis of these disorders through newborn screening is highly important for the appropriate management. Here, we report label‐free impedance immunosensors for the simple screening of CF and DMD through the detection of cystic fibrosis transmembrane conductance regulator (CFTR) protein fragment and a peptide sequence for dystrophin (DMD). The biosensors were constructed by the covalent immobilization of specific antibodies for CFTR and DMD on standard gold (Au) electrodes. The immunosensors response was measured based on the change in the electrochemical impedance spectroscopy (EIS) signals after binding with the peptides. The specific recognition of the immunosensor surfaces to the target antigens leads to retardation of the access of ferri‐ferrocyanide redox molecules to the surface and thus, enhances the charge transfer resistance (Rct). These impedimetric immunosensors enabled sensitive, fast, selective and accurate estimation of CFTR and DMD levels within a linear range from 1.0 pg/mL to 1 μg/mL and 1.0 pg/mL to 10 ng/mL with lower detection limits of 0.8 and 0.7 pg/mL for CFTR and DMD, respectively. Moreover, the immunosensors were tested for the detection of CFTR and DMD in human serum showing very good agreement with enzyme‐linked immunosorbent assays (ELISA). This work represents a novel low cost analytical method that aims to satisfy the unmet public health need in the early diagnosis of CF and DMD and can be extended to detect other hereditary disorders.
Potential serum biomarkers associated with mild and severe leptospirosis infection: A cohort study in the Malaysian population
Authors: Tan Xue Ting , Amran Fairuz binti , Thayan Ravindran , Ahmad Norazah , Jaafar Roslinda , Haron Rahimah , Abdullah Rafidah , bin Shamsuddin Sazwan Reezal , Md. Riffin Nor Suhaila binti , Abdul‐Rahman Puteri Shafinaz
Published: May 2017

Leptospirosis is an emerging zoonotic infectious disease in Malaysia. The symptoms of leptospirosis vary from mild nonspecific flu‐like illness to a severe condition which is usually associated with serious complication and fatality. To study the protein expression profile of mild and severe leptospirosis, 15 paired sera were collected from the patients who were mildly infected and following that progressed to severe stage. The proteome profiles of mild and severe cases were studied using 2DE analysis in combination with LC‐MS/MS. The expression of proteins that were significantly different and had a fold difference of at least 2 had been identified and then validated using Western blot. Our study demonstrated apolipoprotein A‐I (APOA‐I), serum amyloid A (SAA), transferrin (TF), haptoglobin (HP) and transthyretin (TTR) have significantly different expression between mild and severe leptospirosis. The Ingenuity Pathway Analysis software suggested the expression of these five proteins were modulated by acute phase response signaling pathway. Besides that, a functional network of lipid metabolism, molecular transport and small molecule biochemistry that interconnects these five proteins with interactomes also had been predicted by this software. In conclusion, this finding supports the potential of these five proteins to be the biomarkers for mild and severe human leptospirosis.
Comparative membrane proteomics analyses of breast cancer cell lines to understand the molecular mechanism of breast cancer brain metastasis
Authors: Peng Wenjing , Zhang Yu , Zhu Rui , Mechref Yehia
Published: May 2017

Breast cancer is the leading type of cancer in women. Breast cancer brain metastasis is currently considered an issue of concern among breast cancer patients. Membrane proteins play important roles in breast cancer brain metastasis, involving cell adhesion and penetration of blood–brain barrier. To understand the mechanism of breast cancer brain metastasis, liquid chromatography‐tandem mass spectrometry (LC‐MS/MS) was employed in conjunction with enrichment of membrane proteins to analyze the proteomes from five different breast cancer and a brain cancer cell lines. Quantitative proteomic data of all cell lines were compared with MDA‐MB‐231BR which is a brain seeking breast cancer cell line, thus representing brain metastasis characteristics. Label‐free proteomics of the six cell lines facilitates the identification of 1238 proteins and the quantification of 899 proteins of which more than 70% were membrane proteins. Unsupervised principal component analysis (PCA) of the label‐free proteomics data resulted in a distinct clustering of cell lines, suggesting quantitative differences in the expression of several proteins among the different cell lines. Unique protein expressions in 231BR were observed for 28 proteins. The up‐regulation of STAU1, AT1B3, NPM1, hnRNP Q, and hnRNP K and the down‐regulation of TUBB4B and TUBB5 were noted in 231BR relative to 231 (precursor cell lines from which 231BR is derived). These proteins might contribute to the breast cancer brain metastasis. Ingenuity pathway analysis (IPA) supported the great brain metastatic propensity of 231BR and suggested the importance of the up‐regulation of integrin proteins and down‐regulation of EPHA2 in brain metastasis.
Performance of Pyridylthiourea‐Polyethylenimine Polyplex for siRNA‐Mediated Liver Cancer Therapy in Cell Monolayer, Spheroid, and Tumor Xenograft Models
Authors: Gossart Jean Baptiste , Pascal Etienne , Meyer Florent , Heuillard Emilie , Gonçalves Mathieu , Gossé Francine , Robinet Eric , Frisch Benoît , Seguin Cendrine , Zuber Guy
Published: May 2017

Medical application of siRNAs relies on methods for delivering nucleic acids into the cytosol. Synthetic carriers, which assemble with nucleic acids into delivery systems, show promises for cancer therapy but efficiency remains to be improved. In here, the effectiveness of pyridylthiourea‐polyethylenimine (πPEI), a siRNA carrier that favors both polyplex disassembly and endosome rupture upon sensing the acidic endosomal environment, in 3 experimental models of hepatocellular cancer is tested. The πPEI‐assisted delivery of a siRNA targeting the polo‐like kinase 1 into Huh‐7 monolayer produces a 90% cell death via a demonstrated RNA interference mechanism. Incubation of polyplex with Huh‐7 spheroids leads to siRNA delivery into the superficial first cell layer and a 60% reduction in spheroid growth compared to untreated controls. Administration of polyplexes into mice bearing subcutaneous implanted Huh‐7Luc tumors results in a reduced tumor progression, similar to the one observed in the spheroid model. Altogether, these results support the in vivo use of synthetic and dedicated polymers for increasing siRNA‐mediated gene knockdown, and their clinical promise in cancer therapeutics.
U–Pb zircon and geochemical constraints on age and genesis of granitoids from the Jinchang Au deposit in Heilongjiang, NE China
Authors: Han S. J. , Yang Y. C. , Ye S. Q. , Khomich V. G. , Boriskina N. G. , Wang X. Y.
Published: May 2017

The Jinchang Au deposit is a large‐sized deposit in Heilongjiang Province, and mineralization is closely related to the Early Cretaceous granitoids. The orebodies occurred within granite, granite porphyry, granodiorite, and diorite. Gold mineralization type consists of crypto‐explosive breccia, vein, and veinlet‐disseminated types. In this paper, we present U–Pb age as well as major and trace element geochemistry of intrusive bodies from the Jinchang deposit. Our study indicates that granite, granite porphyry, and granodiorite from the Jinchang deposit are calc‐alkaline to high‐K calc‐alkaline with geochemical characteristics of typical island‐arc environment. Diorite and diorite porphyrite show calc‐alkaline affinities with geochemical characteristics of adakite or adakitic rock. Concordant zircon U–Pb ages of 184.69 ± 0.98 Ma and 203.62 ± 0.86 Ma are obtained from granites; 190.4 ± 4.7 Ma, 205.88 ± 0.95 Ma, and 109.0 ± 2.4 Ma are obtained from granite porphyry, granodiorite, and quartz diorite. Combined with previous geochronological data, the diagenetic ages for granitoids in the Jinchang deposit are mainly focused on 2 episodes: 110 ~ 120 Ma and 185 ~ 200 Ma. The corresponding tectonic settings for the 2 episodes of magmatic activities are subduction of the Izanagi Plate towards the Eurasian Plate, and post‐collision system after the collision of North China Craton and Jiamusi‐Khanka Massif, respectively. We suggest that the magmatism (110 ~ 120 Ma) formed adakitic diorite and diorite porphyrite and closely associated with mineralization. Upwelling mantle results in partial melting of the lower crust and extract and transfer metals to the upper crust for further concentration. It also reveals that Jinchang Au deposit is an adakite‐associated deposit.
Projected 21st century climate change on snow conditions over Shasta Dam watershed by means of dynamical downscaling
Authors: Trinh Toan , Kavvas M. Levent , Ishida Kei , Carr Kara , Ohara Noriaki
Published: May 2017

Snow is an important component of the Earth's climate system and is particularly vulnerable to global warming. It has been suggested that warmer temperatures may cause significant declines in snow water content and snow cover duration. In this study, snowfall and snowmelt were projected by means of a regional climate model that was coupled to a physically based snow model over Shasta Dam watershed to assess changes in snow water content and snow cover duration during the 21st century. This physically based snow model requires both physical data and future climate projections. These physical data include topography, soils, vegetation, and land use/land cover, which were collected from associated organizations. The future climate projections were dynamically downscaled by means of the regional climate model under 4 emission scenarios simulated by 2 general circulation models (fifth‐generation of the ECHAM general circulation model and the third‐generation atmospheric general circulation model). The downscaled future projections were bias corrected before projecting snowfall and snowmelt processes over Shasta Dam watershed during 2010–2099. This study's results agree with those of previous studies that projected snow water equivalent is decreasing by 50–80% whereas the fraction of precipitation falling as snowfall is decreasing by 15% to 20%. The obtained projection results show that future snow water content will change in both time and space. Furthermore, the results confirm that physical data such as topography, land cover, and atmospheric–hydrologic data are instrumental in the studies on the impact of climate change on the water resources of a region.