bluuebunny/crossref_metadata_2025 huggingface dataset:
Cerebral complexity preceded enlarged brain size and reduced olfactory bulbs in Old World monkeys
Authors: Gonzales Lauren A. , Benefit Brenda R. , McCrossin Monte L. , Spoor Fred
Published: July 2015

Analysis of the only complete early cercopithecoid (Old World monkey) endocast currently known, that of 15-million-year (Myr)-old Victoriapithecus, reveals an unexpectedly small endocranial volume (ECV) relative to body size and a large olfactory bulb volume relative to ECV, similar to extant lemurs and Oligocene anthropoids. However, the Victoriapithecus brain has principal and arcuate sulci of the frontal lobe not seen in the stem catarrhine Aegyptopithecus, as well as a distinctive cercopithecoid pattern of gyrification, indicating that cerebral complexity preceded encephalization in cercopithecoids. Since larger ECVs, expanded frontal lobes, and reduced olfactory bulbs are already present in the 17- to 18-Myr-old ape Proconsul these features evolved independently in hominoids (apes) and cercopithecoids and much earlier in the former. Moreover, the order of encephalization and brain reorganization was apparently different in hominoids and cercopithecoids, showing that brain size and cerebral organization evolve independently.
Charge-order domain walls with enhanced conductivity in a layered manganite
Authors: Ma Eric Yue , Bryant Benjamin , Tokunaga Yusuke , Aeppli Gabriel , Tokura Yoshinori , Shen Zhi-Xun
Published: July 2015

Interfaces and boundaries in condensed-matter systems often have electronic properties distinct from the bulk material and thus have become a topic of both fundamental scientific interest and technological importance. Here we identify, using microwave impedance microscopy, enhanced conductivity of charge-order domain walls in the layered manganite Pr(Sr0.1Ca0.9)2Mn2O7. We obtain a complete mesoscopic map of surface topography, crystalline orientation and electronic phase, and visualize the thermal phase transition between two charge-ordered phases. In both phases, charge-order domains occur with domain walls showing enhanced conductivity likely due to local lifting of the charge order. Finite element analysis shows that the resolved domain walls can be as narrow as few nanometres. The domain walls are stabilized by structural twins and have a strong history dependence, suggesting that they may be manipulated to create novel devices.
Retrieving spin textures on curved magnetic thin films with full-field soft X-ray microscopies
Authors: Streubel Robert , Kronast Florian , Fischer Peter , Parkinson Dula , Schmidt Oliver G. , Makarov Denys
Published: July 2015

X-ray tomography is a well-established technique to characterize 3D structures in material sciences and biology; its magnetic analogue—magnetic X-ray tomography—is yet to be developed. Here we demonstrate the visualization and reconstruction of magnetic domain structures in a 3D curved magnetic thin films with tubular shape by means of full-field soft X-ray microscopies. The 3D arrangement of the magnetization is retrieved from a set of 2D projections by analysing the evolution of the magnetic contrast with varying projection angle. Using reconstruction algorithms to analyse the angular evolution of 2D projections provides quantitative information about domain patterns and magnetic coupling phenomena between windings of azimuthally and radially magnetized tubular objects. The present approach represents a first milestone towards visualizing magnetization textures of 3D curved thin films with virtually arbitrary shape.
Conformational Entropy of Intrinsically Disordered Proteins from Amino Acid Triads
Authors: Baruah Anupaul , Rani Pooja , Biswas Parbati
Published: July 2015

This work quantitatively characterizes intrinsic disorder in proteins in terms of sequence composition and backbone conformational entropy. Analysis of the normalized relative composition of the amino acid triads highlights a distinct boundary between globular and disordered proteins. The conformational entropy is calculated from the dihedral angles of the middle amino acid in the amino acid triad for the conformational ensemble of the globular, partially and completely disordered proteins relative to the non-redundant database. Both Monte Carlo (MC) and Molecular Dynamics (MD) simulations are used to characterize the conformational ensemble of the representative proteins of each group. The results show that the globular proteins span approximately half of the allowed conformational states in the Ramachandran space, while the amino acid triads in disordered proteins sample the entire range of the allowed dihedral angle space following Flory’s isolated-pair hypothesis. Therefore, only the sequence information in terms of the relative amino acid triad composition may be sufficient to predict protein disorder and the backbone conformational entropy, even in the absence of well-defined structure. The predicted entropies are found to agree with those calculated using mutual information expansion and the histogram method.
Neuritin reverses deficits in murine novel object associative recognition memory caused by exposure to extremely low-frequency (50 Hz) electromagnetic fields
Authors: Zhao Qian-Ru , Lu Jun-Mei , Yao Jin-Jing , Zhang Zheng-Yu , Ling Chen , Mei Yan-Ai
Published: July 2015

Animal studies have shown that electromagnetic field exposure may interfere with the activity of brain cells, thereby generating behavioral and cognitive disturbances. However, the underlying mechanisms and possible preventions are still unknown. In this study, we used a mouse model to examine the effects of exposure to extremely low-frequency (50 Hz) electromagnetic fields (ELF MFs) on a recognition memory task and morphological changes of hippocampal neurons. The data showed that ELF MFs exposure (1 mT, 12 h/day) induced a time-dependent deficit in novel object associative recognition memory and also decreased hippocampal dendritic spine density. This effect was observed without corresponding changes in spontaneous locomotor activity and was transient, which has only been seen after exposing mice to ELF MFs for 7-10 days. The over-expression of hippocampal neuritin, an activity-dependent neurotrophic factor, using an adeno-associated virus (AAV) vector significantly increased the neuritin level and dendritic spine density. This increase was paralleled with ELF MFs exposure-induced deficits in recognition memory and reductions of dendritic spine density. Collectively, our study provides evidence for the association between ELF MFs exposure, impairment of recognition memory and resulting changes in hippocampal dendritic spine density. Neuritin prevented this ELF MFs-exposure-induced effect by increasing the hippocampal spine density.
Allogenic iPSC-derived RPE cell transplants induce immune response in pigs: a pilot study
Authors: Sohn Elliott H , Jiao Chunhua , Kaalberg Emily , Cranston Cathryn , Mullins Robert F. , Stone Edwin M. , Tucker Budd A.
Published: July 2015

Stem cell strategies focused on replacement of RPE cells for the treatment of geographic atrophy are under intense investigation. Although the eye has long been considered immune privileged, there is limited information about the immune response to transplanted cells in the subretinal space of large animals. The purpose of this study was to evaluate the survival of allogenic induced pluripotent stem cell-derived RPE cells (iPSC-RPE) delivered to the subretinal space of the pig as well as determine whether these cells induce an immune response in non-diseased eyes. GFP positive iPSC-RPE, generated from outbred domestic swine, were injected into the subretinal space of vitrectomized miniature swine. Control eyes received vehicle only. GFP positive iPSC-RPE cells were identified in the subretinal space 3 weeks after injection in 5 of 6 eyes. Accompanying GFP-negative cells positive for IgG, CD45 and macrophage markers were also identified in close proximity to the injected iPSC-RPE cells. All subretinal cells were negative for GFAP as well as cell cycle markers. We found that subretinal injection of allogenic iPSC-RPE cells into wild-type mini-pigs can induce the innate immune response. These findings suggest that immunologically matched or autologous donor cells should be considered for clinical RPE cell replacement.
High-resolution NMR characterization of low abundance oligomers of amyloid-β without purification
Authors: Kotler Samuel A. , Brender Jeffrey R. , Vivekanandan Subramanian , Suzuki Yuta , Yamamoto Kazutoshi , Monette Martine , Krishnamoorthy Janarthanan , Walsh Patrick , Cauble Meagan , Holl Mark M. Banaszak , Marsh E. Neil. G. , Ramamoorthy Ayyalusamy
Published: July 2015

Alzheimer’s disease is characterized by the misfolding and self-assembly of the amyloidogenic protein amyloid-β (Aβ). The aggregation of Aβ leads to diverse oligomeric states, each of which may be potential targets for intervention. Obtaining insight into Aβ oligomers at the atomic level has been a major challenge to most techniques. Here, we use magic angle spinning recoupling 1H-1H NMR experiments to overcome many of these limitations. Using 1H-1H dipolar couplings as a NMR spectral filter to remove both high and low molecular weight species, we provide atomic-level characterization of a non-fibrillar aggregation product of the Aβ1-40 peptide using non-frozen samples without isotopic labeling. Importantly, this spectral filter allows the detection of the specific oligomer signal without a separate purification procedure. In comparison to other solid-state NMR techniques, the experiment is extraordinarily selective and sensitive. A resolved 2D spectra could be acquired of a small population of oligomers (6 micrograms, 7% of the total) amongst a much larger population of monomers and fibers (93% of the total). By coupling real-time 1H-1H NMR experiments with other biophysical measurements, we show that a stable, primarily disordered Aβ1-40 oligomer 5–15 nm in diameter can form and coexist in parallel with the well-known cross-β-sheet fibrils.
All-organic electrostrictive polymer composites with low driving electrical voltages for micro-fluidic pump applications
Authors: Le Minh Quyen , Capsal Jean-Fabien , Galineau Jérémy , Ganet Florent , Yin Xunqian , Yang Mingchia , Chateaux Jean-François , Renaud Louis , Malhaire Christophe , Cottinet Pierre-Jean , Liang Richard
Published: July 2015

This paper focuses on the improvement of a relaxor ferroelectric terpolymer, i.e., poly (vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) [P(VDF-TrFE-CFE)], filled with a bis(2-ethylhexyl) phthalate (DEHP). The developed material gave rise to a significantly increased longitudinal electrostrictive strain, as well as an increased mechanical energy density under a relatively low electric field. These features were attributed to the considerably enhanced dielectric permittivity and a decreased Young modulus as a result of the introduction of only small DEHP plasticizer molecules. In addition, the plasticizer-filled terpolymer only exhibited a slight decrease of the dielectric breakdown strength, which was a great advantage with respect to the traditional polymer-based electrostrictive composites. More importantly, the approach proposed herein is promising for the future development and scale-up of new high-performance electrostrictive dielectrics under low applied electrical fields through modification simply by blending with a low-cost plasticizer. An experimental demonstration based on a flexible micro-fluidic application is described at the end of this paper, confirming the attractive characteristics of the proposed materials as well as the feasibility of integrating them as micro-actuators in small-scale devices.
The Three-Dimensional Morphology of Growing Dendrites
Authors: Gibbs J. W. , Mohan K. A. , Gulsoy E. B. , Shahani A. J. , Xiao X. , Bouman C. A. , De Graef M. , Voorhees P. W.
Published: July 2015

The processes controlling the morphology of dendrites have been of great interest to a wide range of communities, since they are examples of an out-of-equilibrium pattern forming system, there is a clear connection with battery failure processes and their morphology sets the properties of many metallic alloys. We determine the three-dimensional morphology of free growing metallic dendrites using a novel X-ray tomographic technique that improves the temporal resolution by more than an order of magnitude compared to conventional techniques. These measurements show that the growth morphology of metallic dendrites is surprisingly different from that seen in model systems, the morphology is not self-similar with distance back from the tip and that this morphology can have an unexpectedly strong influence on solute segregation in castings. These experiments also provide benchmark data that can be used to validate simulations of free dendritic growth.
Highly responsive MoS2 photodetectors enhanced by graphene quantum dots
Authors: Chen Caiyun , Qiao Hong , Lin Shenghuang , Man Luk Chi , Liu Yan , Xu Zaiquan , Song Jingchao , Xue Yunzhou , Li Delong , Yuan Jian , Yu Wenzhi , Pan Chunxu , Ping Lau Shu , Bao Qiaoliang
Published: July 2015

Molybdenum disulphide (MoS2), which is a typical semiconductor from the family of layered transition metal dichalcogenides (TMDs), is an attractive material for optoelectronic and photodetection applications because of its tunable bandgap and high quantum luminescence efficiency. Although a high photoresponsivity of 880–2000 AW−1 and photogain up to 5000 have been demonstrated in MoS2-based photodetectors, the light absorption and gain mechanisms are two fundamental issues preventing these materials from further improvement. In addition, it is still debated whether monolayer or multilayer MoS2 could deliver better performance. Here, we demonstrate a photoresponsivity of approximately 104 AW−1 and a photogain of approximately 107 electrons per photon in an n-n heterostructure photodetector that consists of a multilayer MoS2 thin film covered with a thin layer of graphene quantum dots (GQDs). The enhanced light-matter interaction results from effective charge transfer and the re-absorption of photons, leading to enhanced light absorption and the creation of electron-hole pairs. It is feasible to scale up the device and obtain a fast response, thus making it one step closer to practical applications.
In vivo bioimaging with tissue-specific transcription factor activated luciferase reporters
Authors: Buckley Suzanne M. K. , Delhove Juliette M. K. M. , Perocheau Dany P. , Karda Rajvinder , Rahim Ahad A. , Howe Steven J. , Ward Natalie J. , Birrell Mark A. , Belvisi Maria G. , Arbuthnot Patrick , Johnson Mark R. , Waddington Simon N. , McKay Tristan R.
Published: July 2015

The application of transcription factor activated luciferase reporter cassettes in vitro is widespread but potential for in vivo application has not yet been realized. Bioluminescence imaging enables non-invasive tracking of gene expression in transfected tissues of living rodents. However the mature immune response limits luciferase expression when delivered in adulthood. We present a novel approach of tissue-targeted delivery of transcription factor activated luciferase reporter lentiviruses to neonatal rodents as an alternative to the existing technology of generating germline transgenic light producing rodents. At this age, neonates acquire immune tolerance to the conditionally responsive luciferase reporter. This simple and transferrable procedure permits surrogate quantitation of transcription factor activity over the lifetime of the animal. We show principal efficacy by temporally quantifying NFκB activity in the brain, liver and lungs of somatotransgenic reporter mice subjected to lipopolysaccharide (LPS)-induced inflammation. This response is ablated in Tlr4−/− mice or when co-administered with the anti-inflammatory glucocorticoid analogue dexamethasone. Furthermore, we show the malleability of this technology by quantifying NFκB-mediated luciferase expression in outbred rats. Finally, we use somatotransgenic bioimaging to longitudinally quantify LPS- and ActivinA-induced upregulation of liver specific glucocorticoid receptor and Smad2/3 reporter constructs in somatotransgenic mice, respectively.
Acoustothermal heating of polydimethylsiloxane microfluidic system
Authors: Ha Byung Hang , Lee Kang Soo , Destgeer Ghulam , Park Jinsoo , Choung Jin Seung , Jung Jin Ho , Shin Jennifer Hyunjong , Sung Hyung Jin
Published: July 2015

We report an observation of rapid (exceeding 2,000 K/s) heating of polydimethylsiloxane (PDMS), one of the most popular microchannel materials, under cyclic loadings at high (~MHz) frequencies. A microheater was developed based on the finding. The heating mechanism utilized vibration damping in PDMS induced by sound waves that were generated and precisely controlled using a conventional surface acoustic wave (SAW) microfluidic system. The refraction of SAW into the PDMS microchip, called the leaky SAW, takes a form of bulk wave and rapidly heats the microchannels in a volumetric manner. The penetration depths were measured to range from 210 μm to 1290 μm, enough to cover most sizes of microchannels. The energy conversion efficiency was SAW frequency-dependent and measured to be the highest at around 30 MHz. Independent actuation of each interdigital transducer (IDT) enabled independent manipulation of SAWs, permitting spatiotemporal control of temperature on the microchip. All the advantages of this microheater facilitated a two-step continuous flow polymerase chain reaction (CFPCR) to achieve the billion-fold amplification of a 134 bp DNA amplicon in less than 3 min.
Dominant and novel clades of Candidatus Accumulibacter phosphatis in 18 globally distributed full-scale wastewater treatment plants
Authors: Mao Yanping , Graham David W. , Tamaki Hideyuki , Zhang Tong
Published: July 2015

Here we employed quantitative real-time PCR (qPCR) assays for polyphosphate kinase 1 (ppk1) and 16S rRNA genes to assess relative abundances of dominant clades of Candidatus Accumulibacter phosphatis (referred to Accumulibacter) in 18 globally distributed full-scale wastewater treatment plants (WWTPs) from six countries. Accumulibacter were not only detected in the 6 WWTPs performing biological phosphorus removal, but also inhabited in the other 11 WWTPs employing conventional activated sludge (AS) with abundances ranging from 0.02% to 7.0%. Among the AS samples, clades IIC and IID were found to be dominant among the five Accumulibacter clades. The relative abundance of each clade in the Accumulibacter lineage significantly correlated (p < 0.05) with the influent total phosphorus and chemical oxygen demand instead of geographical factors (e.g. latitude), which showed that the local wastewater characteristics and WWTPs configurations could be more significant to determine the proliferation of Accumulibacter clades in full-scale WWTPs rather than the geographical location. Moreover, two novel Accumulibacter clades (IIH and II-I) which had not been previously detected were discovered in two enhanced biological phosphorus removal (EBPR) WWTPs. The results deepened our understanding of the Accumulibacter diversity in environmental samples.
Theory of Molecular Collisions
Authors: Balint-Kurti Gabriel G , Palov Alexander
Published: July 2015

Almost 100 years have passed since Trautz and Lewis put forward their collision theory of molecular processes. Today, knowledge of molecular collisions forms a key part of predicting and understanding chemical reactions.

This book begins by setting out the classical and quantum theories of atom-atom collisions. Experimentally observable aspects of the scattering processes; their relationship to reaction rate constants and the experimental methods used to determine them are described. The quantum mechanical theory of reactive scattering is presented and related to experimental observables. The role of lasers in the measurement and analysis of reactive molecular collisions is also discussed.

Written with postgraduates and newcomers to the field in mind, mathematics is kept to a minimum, and readers are guided to appendices and further reading to gain a deeper understanding of the mathematics involved.
Water soluble, cyclometalated Pt(ii)–Ln(iii) conjugates towards novel bimodal imaging agents
Authors: Stacey Oliver J. , Amoroso Angelo J. , Platts James A. , Horton Peter N. , Coles Simon J. , Lloyd David , Williams Catrin F. , Hayes Anthony J. , Dunsford Jay J. , Pope Simon J. A.
Published: July 2015

A heterometallic, water soluble PtII–GdIII complex possesses visible luminescence and enhanced water relaxivity whilst showing promise and application in cell imaging studies.
Rational design of octahedron and nanowire CeO2@MnO2 core–shell heterostructures with outstanding rate capability for asymmetric supercapacitors
Authors: Zhu Shi Jin , Jia Jia Qi , Wang Tian , Zhao Dong , Yang Jian , Dong Fan , Shang Zheng Guo , Zhang Yu Xin
Published: July 2015

Two kinds of novel CeO2@MnO2 nanostructures have been synthesized via a self-assembly strategy.
UV photoexcitation of a dissolved metalloid Ge9 cluster compound and its extensive ultrafast response
Authors: Klinger M. , Schenk C. , Henke F. , Clayborne A. , Schnepf A. , Unterreiner A.-N.
Published: July 2015

Femtosecond pump–probe absorption spectroscopy in tetrahydrofuran solution has been used to investigate the dynamics of a metalloid cluster compound {Ge9[Si(SiMe3)3]3}−1.
Rational design of phenoxazine-based donor–acceptor–donor thermally activated delayed fluorescent molecules with high performance
Authors: Lu Jing , Zheng Yiying , Zhang Jingping
Published: July 2015

The rational design of a novel phenoxazine-based D–B–A2–B–D TADF candidate with smaller ΔEST values and higher carrier transport.
Extensions and applications of the A24 data set of accurate interaction energies
Authors: Řezáč Jan , Dubecký Matúš , Jurečka Petr , Hobza Pavel
Published: July 2015

The best estimate of interaction energies in the A24 data set was updated with CCSD(T) and CCSDT(Q) calculations in larger basis sets. In the four smallest systems, these results were compared with quantum Monte Carlo interaction energies. The set is then used for testing more approximate composite CCSD(T)/CBS schemes, including ones based on MP2-F12 and FNO-CCSD(T).
Interfacing proteins with graphitic nanomaterials: from spontaneous attraction to tailored assemblies
Authors: De Leo Federica , Magistrato Alessandra , Bonifazi Davide
Published: July 2015

Thiscritical reviewpresents a detailed overview of the chemico-physical principles ruling the non-covalent association between proteins and fullerene, carbon nanotubes and graphene towards the creation of fascinating and innovative hybrid materials for biotechnological applications.
Base-regulated tunable synthesis of pyridobenzoxazepinones and pyridobenzoxazines
Authors: Shen Chaoren , Wu Xiao-Feng
Published: July 2015

A base-regulated one-pot protocol for the tunable synthesis of pyridobenzoxazepinones and pyridobenzoxazines has been developed. Pyridobenzoxazepinones and pyridobenzoxazines were produced in good yields selectively.
Neutral and ionic platinum compounds containing a cyclometallated chiral primary amine: synthesis, antitumor activity, DNA interaction and topoisomerase I–cathepsin B inhibition
Authors: Albert Joan , Bosque Ramon , Crespo Margarita , Granell Jaume , López Concepción , Martín Raquel , González Asensio , Jayaraman Anusha , Quirante Josefina , Calvis Carme , Badía Josefa , Baldomà Laura , Font-Bardia Mercè , Cascante Marta , Messeguer Ramon
Published: July 2015

Synthesis and biological evaluation of 1-(1-naphthyl)ethylamine platinum derivatives are reported.
Emerging investigators series: the source and fate of pandemic viruses in the urban water cycle
Authors: Wigginton K. R. , Ye Y. , Ellenberg R. M.
Published: July 2015

This review provides a comprehensive look at whether a pandemic enveloped virus would pose challenges for the wastewater and drinking water industries.
CO2capture and electrochemical conversion using superbasic [P66614][124Triz]
Authors: Hollingsworth Nathan , Taylor S. F. Rebecca , Galante Miguel T. , Jacquemin Johan , Longo Claudia , Holt Katherine B. , de Leeuw Nora H. , Hardacre Christopher
Published: July 2015

The ionic liquid trihexyltetradecylphosphonium 1,2,4-triazolide, [P66614][124Triz], has been shown to chemisorb CO2through equimolar binding of the carbon dioxide with the 1,2,4-triazolide anion. This leads to a possible new, low energy pathway for the electrochemical reduction of carbon dioxide to formate and syngas at low overpotentials, utilizing this reactive ionic liquid media. Herein, an electrochemical investigation of water and carbon dioxide addition to the [P66614][124Triz] on gold and platinum working electrodes is reported. Electrolysis measurements have been performed using CO2saturated [P66614][124Triz] based solutions at −0.9 V and −1.9 V on gold and platinum electrodes. The effects of the electrode material on the formation of formate and syngas using these solutions are presented and discussed.
Micropatterning of TCR and LFA-1 ligands reveals complementary effects on cytoskeleton mechanics in T cells
Authors: Tabdanov Erdem , Gondarenko Sasha , Kumari Sudha , Liapis Anastasia , Dustin Michael L. , Sheetz Michael P. , Kam Lance C. , Iskratsch Thomas
Published: July 2015

Micropatterning of T cell ligands reveals their specific contributions to actin assembly and the generation of cytoskeletal forces in immunesynapse formation.
Quantitative dose–response curves from subcellular lipid multilayer microarrays
Authors: Kusi-Appiah A. E. , Lowry T. W. , Darrow E. M. , Wilson K. A. , Chadwick B. P. , Davidson M. W. , Lenhert S.
Published: July 2015

Nanointaglio is used to vary the volumes of sub-cellular liposomal microarrays, allowing dose–response curves to be obtained for small lipophilic drugs in a microarray format.
Durable Ag/AgCl nanowires assembled in a sponge for continuous water purification under sunlight
Authors: Ge Jin , Wang Xu , Yao Hong-Bin , Zhu Hong-Wu , Peng Yu-Can , Yu Shu-Hong
Published: July 2015

The 3D structuring of Ag/AgCl nanowires, combined with the confined flow design, greatly improves the photodegradation efficiency of Ag/AgCl nanostructures in immobilized form. The in situ recovery strategy also extends the lifetime of Ag/AgCl nanostructures.
Twin effects of induction and stabilization of the SmA* phase by Cu(ii) using 4,4′-disubstituted salicylideneimine containing [1,2,3]-triazole and cholesterol arms
Authors: Heng Boon-Teck , Yeap Guan-Yeow , Mahmood Wan Ahmad Kamil , Miyashita Kiyoshi , Ito Masato M.
Published: July 2015

The ligands exhibited N* and SmC* phases, while Cu(ii) complexes exhibited the SmA* phase which was absent in their respective ligands.
Hot off the press
Authors: Hill Robert A. , Sutherland Andrew
Published: July 2015

A personal selection of 32 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products such as eudistidine A from a marine ascidian Eudistoma sp.
A value-added exopolysaccharide as a coating agent for MRI nanoprobes
Authors: Palma Susana I. C. J. , Rodrigues Carlos A. V. , Carvalho Alexandra , Morales Maria del Puerto , Freitas Filomena , Fernandes Alexandra R. , Cabral Joaquim M. S. , Roque Ana C. A.
Published: July 2015

Magnetic nanoparticles coated with a fucose-rich exopolysaccharide resulted in nanoprobes which effectively internalized into cells. MRI cell labeling was particularly efficient in neural stem/progenitor cells.
Tuning and understanding the phase interface of TiO2 nanoparticles for more efficient lithium ion storage
Authors: Wang Rui , Xue Xuyan , Lu Wencai , Liu Hongwei , Lai Chao , Xi Kai , Che Yanke , Liu Jingquan , Guo Shaojun , Yang Dongjiang
Published: July 2015

We demonstrate that mixed-phase anatase–TiO2(B) nanoparticles can provide an interesting interphase interface with atomic-level contact for achieving more efficient Li ion storage with high capacity and cycle life.
Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines
Authors: Jana Sadhan , Ashokan Athira , Kumar Shailesh , Verma Ajay , Kumar Sangit
Published: July 2015

A ligand and base free copper catalyzed method has been developed for the construction of trifluoromethylated benzoxazines by using Umemoto's reagent.
A novel one-pot synthesized organosiloxane: synthesis and conversion to directly thermo-crosslinked polysiloxanes with low dielectric constants and excellent thermostability
Authors: Wang Jiajia , Luo Yijie , Jin Kaikai , Yuan Chao , Sun Jing , He Fengkai , Fang Qiang
Published: July 2015

A novel organosiloxane containing a thermally cross-linkable benzocyclobutene group was successfully synthesized through a one-pot Grignard reaction procedure.
Kinetic resolution of racemic 5-alkylcyclohexenones via Pd(ii)-catalyzed 1,4-additions of arylboronic acids – access to trans 3-alkyl-5-arylcyclohexanones
Authors: Gan Kennard , Sadeer Abdul , Ng Jia Sheng , Lu Yunpeng , Pullarkat Sumod A.
Published: July 2015

Ferrocenyl phosphapalladacycle catalyzed kinetic resolution of racemic 5-alkylcyclohexenones via arylboronic acid addition provides access to optically active trans-3-alkyl-5-aryl cycloalkanones.
Photoluminescent and cathodoluminescent performances of Tb3+in Lu3+-stabilized gadolinium aluminate garnet solid-solutions of [(Gd1−xLux)1−yTby]3Al5O12
Authors: Li Ji-Guang , Li Jinkai , Zhu Qi , Wang Xuejiao , Li Xiaodong , Sun Xudong , Sakka Yoshio
Published: July 2015

Luminescence comparison of [(Gd1−xLux)0.9Tb0.1]AG green phosphors with (Y0.9Tb0.1)AG and (Lu0.9Tb0.1)AG.
Aluminum interaction with 2,3-diphosphoglyceric acid. A computational study
Authors: Luque Noelia , Mujika Jon I. , Formoso Elena , Lopez Xabier
Published: July 2015

Favorable formation of aluminum–2,3-DPG complexes in a variety of forms: 1 : 1, 1 : 2 and ternary complexes with citrate.
Preparation of imatinib base loaded human serum albumin for application in the treatment of glioblastoma
Authors: Kamali Morteza , Dinarvand Rassoul , Maleki Hassan , Arzani Hossein , Mahdaviani Parvin , Nekounam Houra , Adabi Mahdi , Khosravani Masood
Published: July 2015

IMTb loaded HSA nanoparticles were prepared using a desolvation method at different pH and the encapsulation efficiency and drug loading capacity were tested.
Analyzing the effects of protecting osmolytes on solute–water interactions by solvatochromic comparison method: I. Small organic compounds
Authors: Ferreira Luisa A. , Madeira Pedro P. , Uversky Vladimir N. , Zaslavsky Boris Y.
Published: July 2015

Solvent properties of water in aqueous solutions of osmolytes (sorbitol, sucrose, trehalose, and trimethylamine N-oxide (TMAO)) were studied at different concentrations using the solvatochromic comparison method.
Energy transfer and luminescent properties of Ca8MgLu(PO4)7:Tb3+/Eu3+ as a green-to-red color tunable phosphor under NUV excitation
Authors: Xie Feiyan , Li Junhao , Dong Zhiyue , Wen Dawei , Shi Jianxin , Yan Jing , Wu Mingmei
Published: July 2015

Ca8MgTb(PO4)7:Eu3+ phosphor, a potential candidate for application in NUV-based WLEDs, can show efficient energy transfer from Tb3+ to Eu3+, color-tunable emission from green to pure red and excellent thermal stability.
Silicon dioxide covered Au and Ag nanoparticles for shell-isolated nanoparticle enhanced spectroscopies in the near-infrared
Authors: Neves Tatiana B. V. , Landi Sandra M. , Sena Lídia A. , Archanjo Bráulio S. , Andrade Gustavo F. S.
Published: July 2015

SHINERS and SHINEF from Ag@SiO2and Au@SiO2excited in the near-infrared are presented, with high enhancement factors, together to TEM/EDX evidences of silica coverage over Au and Au nanoparticles.
A novel β-FeOOH/NiO composite material as a potential catalyst for catalytic ozonation degradation of 4-chlorophenol
Authors: Oputu Ogheneochuko , Chowdhury Mahabubur , Nyamayaro Kudzanai , Cummings Franscious , Fester Veruscha , Fatoki Olalekan
Published: July 2015

In this study we report on the organic linker mediated fabrication and catalytic activity of a novel β-FeOOH/NiO composite material for the first time.
Random copper/yttrium iron garnet composites with tunable negative electromagnetic parameters prepared by in situ synthesis
Authors: Sun Kai , Zhang Zi-dong , Fan Run-hua , Chen Min , Cheng Chuan-bing , Hou Qing , Zhang Xi-hua , Liu Yao
Published: July 2015

In this paper, the tunable negative permittivity and permeability of copper/yttrium iron garnet (Cu/YIG) composites, which were prepared by in situ synthesis process, were investigated in the radio frequency regime.
Effect of γ-irradiation on the hydrolytic and thermal stability of micro- and nano-TiO2 based urea–formaldehyde composites
Authors: Jovanović V. , Samaržija-Jovanović S. , Petković B. , Dekić V. , Marković G. , Marinović-Cincović M.
Published: July 2015

The hydrolytic stability and thermal behavior of organic–inorganic composites prepared by two-stage polymerization of urea–formaldehyde resin (UF) with micro- and nano-TiO2 before and after irradiation has been investigated.
Adsorption behaviour of gluten hydrolysate on mild steel in 1 M HCl and its role as a green corrosion inhibitor
Authors: Roy Pialee , Maji Tarunesh , Dey Sukalpa , Sukul Dipankar
Published: July 2015

The adsorption behavior and corrosion inhibition potentiality of gluten hydrolysate towards mild steel in 1 M HCl is investigated employing both electrochemical and weight loss techniques.
Understanding effects of two different acceptors in one small molecule for solution processable organic solar cells
Authors: Zhao Yifan , Yuan Liu , Zhang Jianqi , Zhu Lingyun , Lu Kun , Yan Wei , Wei Zhixiang
Published: July 2015

By comparing two-acceptor type (A1–A2–D–A2–A1) with single-acceptor type organic photovoltaic small molecules, a deep understanding of two-acceptors was obtained, which could help potential strategies of molecular design.
Organic chemistry students' ideas about nucleophiles and electrophiles: the role of charges and mechanisms
Authors: Anzovino Mary E. , Lowery Bretz Stacey
Published: July 2015

Organic chemistry students struggle with reaction mechanisms and the electron-pushing formalism (EPF) used by practicing organic chemists. Faculty have identified an understanding of nucleophiles and electrophiles as one conceptual prerequisite to mastery of the EPF, but little is known about organic chemistry students' knowledge of nucleophiles and electrophiles. This research explored the ideas held by second-semester organic chemistry students about nucleophiles and electrophiles, finding that these students prioritize structure over function, relying primarily on charges to define and identify such species, both in general and in the context of specific chemical reactions. Contrary to faculty who view knowledge of nucleophiles and electrophiles as prerequisite to learning mechanisms and EPF, students demonstrated that they needed to know the mechanism of a reaction before they were able to assess whether the reaction involved nucleophiles and electrophiles or not.
Triple aryne–tetrazine reaction enabling rapid access to a new class of polyaromatic heterocycles
Authors: Suh Sung-Eun , Barros Stephanie A. , Chenoweth David M.
Published: July 2015

We report the triple aryne–tetrazine reaction for rapid access to a new class of dibenzocinnoline heteroaromatics.
Synthesis of sequence-defined acrylate oligomers via photo-induced copper-mediated radical monomer insertions
Authors: Vandenbergh Joke , Reekmans Gunter , Adriaensens Peter , Junkers Tanja
Published: July 2015

Photo-induced copper-mediated radical polymerization is used to synthesize monodisperse sequence defined acrylate oligomers via consecutive single unit monomer insertion reactions and intermediate purification of the compounds by column or preparative recycling size exclusion chromatography.
Designing an advanced P2-Na0.67Mn0.65Ni0.2Co0.15O2 layered cathode material for Na-ion batteries
Authors: Li Zheng-Yao , Gao Rui , Sun Limei , Hu Zhongbo , Liu Xiangfeng
Published: July 2015

An advanced P2-Na0.67Mn0.65Ni0.2Co0.15O2 cathode material for sodium ion batteries with high rate capability and cyclability has been designed and synthesized.
Ultrathin nickel–iron layered double hydroxide nanosheets intercalated with molybdate anions for electrocatalytic water oxidation
Authors: Han Na , Zhao Feipeng , Li Yanguang
Published: July 2015

Incorporation of molybdate ions into a NiFe-LDH structure leads to the formation of ultrathin nanosheets with enhanced OER performance.
High power density of reverse electrodialysis with pore-filling ion exchange membranes and a high-open-area spacer
Authors: Kim Han-Ki , Lee Mi-Soon , Lee Seo-Yoon , Choi Young-Woo , Jeong Nam-Jo , Kim Chan-Soo
Published: July 2015

In the present study, a novel reverse electrodialysis (RED) stack with ultrathin lab-made pore-filling membranes and a high-open-area spacer was proposed to enhance the gross power density.
Macro-mesoporous resorcinol–formaldehyde polymer resins as amorphous metal-free visible light photocatalysts
Authors: Zhang Guan , Ni Chengsheng , Liu Lingjuan , Zhao Guixia , Fina Federica , Irvine John T. S.
Published: July 2015

Macro–mesoporous resorcinol–formaldehyde (urea) resins have been demonstrated as a new family of metal-free visible light photocatalysts.
An in-depth review on the role of carbon nanostructures in dye-sensitized solar cells
Authors: Janani Murugesan , Srikrishnarka Pillalamarri , Nair Shantikumar V. , Nair A. Sreekumaran
Published: July 2015

The present manuscript analyzes the role of various carbon nanostructures in the photoanode and counter electrode of dye-sensitized solar cells.
Synthesis of highly electrochemically active Li2S nanoparticles for lithium–sulfur-batteries
Authors: Kohl M. , Brückner J. , Bauer I. , Althues H. , Kaskel S.
Published: July 2015

Carbothermal reduction of lithium sulfate below its melting point was used to produce sub-micron sized lithium sulfide particles which retain the morphology of the source particle and achieve high discharge capacities up to 1360 mA h gsulfur−1.
Linearly π-conjugated oligothiophenes as simple metal-free sensitizers for dye-sensitized solar cells
Authors: Demeter Dora , Roncali Jean , Jungsuttiwong Siriporn , Melchiorre Fabio , Biagini Paolo , Po Riccardo
Published: July 2015

Oligothiophenes with a terminal acceptor anchoring group can act as simple and efficient metal-free sensitizers for DSSCs.
Application‐centric energy‐efficient Ethernet with quality of service support
Authors: Popescu I. , Miyazaki T. , Chino M. , Wang X. , Okamoto S. , Gravey A. , Gravey P. , Veeraraghavan M. , Brandt‐Pearce M. , Yamanaka N.
Published: July 2015

An energy‐saving strategy for application‐centric networks is proposed. A new architecture for energy‐efficient Ethernet that meets the quality of service requirements for different classes of service is studied.
Textile antenna with EBG structure for body surface wave enhancement
Authors: Tak Jinpil , Hong Youngtaek , Choi Jaehoon
Published: July 2015

A textile antenna with an electric bandgap (EBG) structure for body surface wave enhancement is proposed. The proposed antenna is composed of a centre‐fed circular patch to generate the TM01 mode and an EBG structure near the patch to guide the TM wave along the horizontal surface (θ = 90°). Considering the wearability, the antenna has been fabricated using only textile materials such as conductive textiles, conductive thread, and a leather substrate, and has an enhanced radiated field along the surface direction in the 5.8 GHz industrial, scientific, and medical (ISM) band for on‐body communication. The proposed antenna has a diameter of 1.98λ0 and a thickness of 0.058λ0 at 5.8 GHz.
Series-nonuniform rational B-spline signal feedback: From chaos to any embedded periodic orbit or target point
Authors: Shao Chenxi , Xue Yong , Fang Fang , Bai Fangzhou , Yin Peifeng , Wang Binghong
Published: July 2015

The self-controlling feedback control method requires an external periodic oscillator with special design, which is technically challenging. This paper proposes a chaos control method based on time series non-uniform rational B-splines (SNURBS for short) signal feedback. It first builds the chaos phase diagram or chaotic attractor with the sampled chaotic time series and any target orbit can then be explicitly chosen according to the actual demand. Second, we use the discrete timing sequence selected from the specific target orbit to build the corresponding external SNURBS chaos periodic signal, whose difference from the system current output is used as the feedback control signal. Finally, by properly adjusting the feedback weight, we can quickly lead the system to an expected status. We demonstrate both the effectiveness and efficiency of our method by applying it to two classic chaotic systems, i.e., the Van der Pol oscillator and the Lorenz chaotic system. Further, our experimental results show that compared with delayed feedback control, our method takes less time to obtain the target point or periodic orbit (from the starting point) and that its parameters can be fine-tuned more easily.
Nonlinear energy channeling in the two-dimensional, locally resonant, unit-cell model. I. High energy pulsations and routes to energy localization
Authors: Vorotnikov K. , Starosvetsky Y.
Published: July 2015

Present paper is the first one in the series devoted to the analytical investigation of energy channeling phenomena emerging in the locally resonant unit-cell model comprising an outer mass incorporating internal rotator and subject to the 2D, nonlinear local potential. In the current study, we mainly focus on the analysis of the mechanisms of formation and bifurcations of the special type of non-stationary regimes, characterized by the massive, bidirectional energy transport between the axial and the lateral vibrations of the outer element controlled by the internal, rotational device as well as the regimes of the unidirectional energy localization. The devised analytical procedure is based on a singular multi-scale analysis constructed for the special asymptotic limit corresponding to the high energy excitations. The basic question of possible coexistence of various stationary and non-stationary system regimes as well as their local and global bifurcations is addressed via the reduction of the global flow on the slow invariant manifold in the vicinity of the fundamental resonance. Numerical simulations fully confirm the analytical predictions concerning the structure of the response regimes and their bifurcations.
Direct summation of dipole-dipole interactions using the Wolf formalism
Authors: Stenqvist Björn , Trulsson Martin , Abrikosov Alexei I. , Lund Mikael
Published: July 2015

We present an expanded Wolf formalism for direct summation of long-range dipole-dipole interactions and rule-of-thumbs how to choose optimal spherical cutoff (Rc) and damping parameter (α). This is done by comparing liquid radial distribution functions, dipole-dipole orientation correlations, particle energies, and dielectric constants, with Ewald sums and the Reaction field method. The resulting rule states that ασ < 1 and αRc > 3 for reduced densities around ρ∗ = 1 where σ is the particle size. Being a pair potential, the presented approach scales linearly with system size and is applicable to simulations involving point dipoles such as the Stockmayer fluid and polarizable water models.
The molecular dynamics of adsorption and dissociation of O2 on Pt(553)
Authors: Jacobse Leon , den Dunnen Angela , Juurlink Ludo B. F.
Published: July 2015

Molecular adsorption and dissociation of O2 on the stepped Pt(553) surface have been investigated using supersonic molecular beam techniques and temperature programmed desorption. The initial and coverage-dependent sticking probability was determined with the King and Wells technique for various combinations of incident kinetic energy, surface temperature, incident angle, and surface coverage. A comparison with similar data for Pt(533) and Pt{110}(1 × 2) shows quantitatively the same high step-induced sticking at low incident energies compared to Pt(111). The enhancement is therefore insensitive to the exact arrangement of atoms forming surface corrugation. We consider energy transfer and electronic effects to explain the enhanced sticking. On the other hand, dissociation dynamics at higher incident kinetic energies are strongly dependent on step type. The Pt(553) and Pt(533) surfaces are more reactive than Pt(111), but the (100) step shows higher sticking than the (110) step. We relate this difference to a variation in the effective lowering of the barrier to dissociation from molecularly adsorbed states into atomic states. Our findings are in line with results from experimental desorption studies and theoretical studies of atomic binding energies. We discuss the influence of the different step types on sticking and dissociation dynamics with a one-dimensional potential energy surface.
Orbitals with intermediate localization and low coupling: Spanning the gap between canonical and localized orbitals
Authors: Zimmerman Paul M. , Molina Andrew R. , Smereka Peter
Published: July 2015

Localized orbitals are representations of electronic structure, which are easier to interpret than delocalized, canonical orbitals. While unitary transformations from canonical orbitals into localized orbitals have long been known, existing techniques maximize localization without regard to coupling between orbitals. Especially in conjugated π spaces, orbitals are collapsed by unitary localization procedures into nonintuitive, strongly interacting units. Over-localization decreases interpretability, results in large values of interorbital coupling, and gives unmeaningful diagonal Fock energies. Herein, we introduce orbitals of intermediate localization that span between canonical and fully localized orbitals. To within a specified error, these orbitals preserve the diagonal nature of the Fock matrix while still introducing significant locality. In systems composed of molecular fragments, π spaces can be localized into weakly coupled units. Importantly, as the weakly coupled orbitals separate, highly coupled orbitals maintain their expected structure. The resulting orbitals therefore correspond well to chemical intuition and maintain accurate orbital energies, making this procedure unique among existing orbital localization techniques. This article focuses on the formation and physical analysis of orbitals that smoothly connect the known fully delocalized and fully localized limits.
Vertically aligned dust particles under the influence of crossed electric and magnetic fields in the sheath of a radio frequency discharge
Authors: Puttscher M. , Melzer A.
Published: July 2015

We present experiments on two dust particles with a size of a few microns that are levitated in the sheath region of an rf discharge in the presence of an external magnetic field transverse to the sheath electric field. The two particles are vertically aligned due to the ion focusing effect. First, it is observed that the magnetic field causes a displacement of the dust particles either in the E→×B→- or in the opposite direction. Second, at a sufficiently large neutral gas pressure, the vertical alignment breaks up when the magnetic field strength is increased. The occurrence of this dissociation is described by the horizontal force balance on the two particles.