bluuebunny/crossref_metadata_2025 huggingface dataset:
Quantum interference based Boolean gates in dangling bond loops on Si(100):H surfaces
Authors: Kleshchonok Andrii , Gutierrez Rafael , Joachim Christian , Cuniberti Gianaurelio
Published: September 2015

Implementing atomic and molecular scale electronic functionalities represents one of the major challenges in current nano-electronic developments. Engineered dangling bond nanostructures on Silicon or Germanium surfaces posses the potential to provide novel routes towards the development of non-conventional electronic circuits. These structures are built by selectively removing hydrogen atoms from an otherwise fully passivated Si(100) or Ge(100) substrate. In this theoretical study, we demonstrate how dangling bond loops can be used to implement different Boolean logic gates. Our approach exploits quantum interference effects in such ring-like structures combined with an appropriate design of the interfacing of the dangling bond system with mesoscopic electrodes. We show how OR, AND and NOR gates can be realized by tuning either the global symmetry of the system in a multi-terminal setup—by arranging the position of the input and output electrodes—or, alternatively, by selectively applying electrostatic gates in a two-terminal configuration.
Post-dispersal seed removal by ground-feeding rodents in tropical peatlands, Central Kalimantan, Indonesia
Authors: Blackham Grace V. , Corlett Richard T.
Published: September 2015

Forested tropical peatlands in Southeast Asia are being rapidly converted to agriculture or degraded into non-forest vegetation. Although large areas have been abandoned, there is little evidence for subsequent forest recovery. As part of a study of forest degradation and recovery, we used seed removal experiments and rodent surveys to investigate the potential role of post-dispersal seed predation in limiting the regeneration of woody plants. Two 14-day seed removal trials were done in deforested and forested peatland habitat in Central Kalimantan, Indonesia. Seeds of Nephelium lappaceum, Syzygium muelleri, Artocarpus heterophyllus (all animal-dispersed) and Combretocarpus rotundatus (wind-dispersed) were tested. Significantly more seeds (82.8%) were removed in forest than non-forest (38.1%) and Combretocarpus had the lowest removal in both habitats. Most handled seeds were eaten in situ and little caching was observed. Six species of rodents were captured in forest and five in non-forest. The most trapped taxa were three Maxomys spp. in forest (85.5% of individuals) and Rattus tiomanicus in non-forest (74.8%). Camera traps confirmed that rodents were responsible for seed removal. Seed predation in deforested areas, which have a much lower seed rain than forest, may contribute to the low density and diversity of regenerating forest.
BMI Affects the Relationship between Long Chain N-3 Polyunsaturated Fatty Acid Intake and Stroke Risk: a Meta-Analysis
Authors: Cheng Pengfei , Huang Wen , Bai Shunjie , Wu Yu , Yu Jia , Zhu Xiaofeng , Qi Zhiguo , Shao Weihua , Xie Peng
Published: September 2015

We performed a meta-analysis to clarify the relationship between long chain n-3 polyunsaturated fatty acid (PUFA) intake and stroke risk. Relevant studies were identified by searching online databases through May 2015. Log relative risks (RRs) of the highest versus the lowest for cohort studies were weighed by the inverse variance method to obtain pooled RRs. Fourteen prospective cohort studies including 514,483 individuals and 9,065 strokes were included. The pooled RR of overall stroke risk for long chain n-3 PUFA intake was 0.87 [95% confidence interval (CI), 0.79–0.95]. Stratification analysis showed that higher long chain n-3 PUFAs intake was associated with reduced fatal stroke risk (RR = 0.84; 95% CI, 0.73–0.97), reduced stroke risk for BMI < 24 (RR = 0.86; 95% CI, 0.75–0.98) and reduced stroke risk for females (RR = 0.81; 95% CI, 0.71–0.92), but was not associated with stroke risk for either BMI ≥ 24 or men. This meta-analysis reveals that higher long chain n-3 PUFA intake is inversely associated with risk of stroke morbidity and mortality with BMI and sex as key factors influencing this risk. Individuals should be encouraged to manage their body weight while increasing their intake of long chain n-3 PUFAs.
A structural dissection of large protein-protein crystal packing contacts
Authors: Luo Jiesi , Liu Zhongyu , Guo Yanzhi , Li Menglong
Published: September 2015

With the rapid increase in crystal structures of protein-protein complexes deposited in the Protein Data Bank (PDB), more and more crystal contacts have been shown to have similar or even larger interface areas than biological interfaces. However, little attention has been paid to these large crystal packing contacts and their structural principles remain unknown. To address this issue, we used a comparative feature analysis to analyze the geometric and physicochemical properties of large crystal packing contacts by comparing two types of specific protein-protein interactions (PPIs), weak transient complexes and permanent homodimers. Our results show that although large crystal packing contacts have a similar interface area and contact size as permanent homodimers, they tend to be more planar, loosely packed and less hydrophobic than permanent homodimers and cannot form a central core region that is fully buried during interaction. However, the properties of large crystal packing contacts, except for the interface area and contact size, more closely resemble those of weak transient complexes. The large overlap between biological and large crystal packing contacts indicates that interface properties are not efficient indicators for classification of biological interfaces from large crystal packing contacts and finding other specific features urgently needed.
Soil N retention and nitrate leaching in three types of dunes in the Mu Us desert of China
Authors: Jin Zhao , Zhu Yajuan , Li Xiangru , Dong Yunshe , An Zhisheng
Published: September 2015

A large reservoir of soil nitrate in desert subsoil zones has been demonstrated in previous studies; however, information on the subsoil nitrate reservoir and its distribution characteristics in the deserts of China is still limited. This study investigated the distribution patterns of soil total nitrogen (N), nitrate, ammonium and stable isotopic ratios of 15N (δ15N) in shallow (1 m) and subsoil (5 m) profiles in three types of dunes in the Mu Us desert of China. We found that soil N retention of the fixed and semi-fixed dunes followed a progressive nutrient depletion pattern in shallow soil profiles, whereas the subsoil nitrate of the fixed, semi-fixed and mobile dunes maintained a conservative accumulation pattern. The results indicate that the subsoil of the Mu Us desert may act as a reservoir of available nitrate. Furthermore, a soil δ15N analysis indicate that the nitrate content of the fixed dune is likely derived from soil nitrification, whereas the nitrate content in the mobile dune is derived from atmospheric nitrate deposition. Within the context of looming climate change and intensifying human activities, the subsoil nitrate content in the deserts of northern China could become mobilized and increase environmental risks to groundwater.
Proteins in the ERK pathway are affected by arsenic-treated cells
Authors: Huang Ya-Chun , Yu Hsin-Su , Chai Chee-Yin
Published: September 2015

This study revealed that arsenic regulates SLC25A12, PSME3, vinculin, QR and STIP1 expressions through activation of the ERK-signaling pathway.
Imaging of living cells and zebrafish in vivo using a ratiometric fluorescent probe for hydrogen sulfide
Authors: Liu Tianbao , Lin Jie , Li Zhen , Lin Lin , Shen Yuning , Zhu Hailiang , Qian Yong
Published: September 2015

We have developed a novel colorimetric and ratiometric fluorescence probe for the selective and sensitive imaging of H2S in living cells and living zebrafish in vivo.
Magnetic nanoparticles-cooperated fluorescence sensor for sensitive and accurate detection of DNA methyltransferase activity coupled with exonuclease III-assisted target recycling
Authors: Xue Qingwang , Zhang Youna , Xu Shuling , Li Haibo , Wang Lei , Li Rui , Zhang Yuanfu , Yue Qiaoli , Gu Xiaohong , Zhang Shuqiu , Liu Jifeng , Wang Huaisheng
Published: September 2015

A magnetic nanoparticles-cooperated fluorescence sensor for DNA methyltransferase activity was developed by coupling with exonuclease III-assisted target recycling.
An electrochemical immunosensor for ultrasensitive detection of HBsAg based on platinum nanoparticles loaded on natural montmorillonite
Authors: Li Yueyuan , Tian Lihui , Jia Hongying , Pang Xuehui , Cao Wei , Wei Qin
Published: September 2015

A sensitive and facile electrochemical immunosensor for ultrasensitive detection of Hepatitis B surface antigen (HBsAg) was designed, which was based on platinum nanoparticle decorated amino silane functionalized montmorillonite (Pt–NH2–MMT).
Optimization and validation of an extraction method and HPAEC-PAD for determination of residual sugar composition in l-lactic acid industrial fermentation broth with a high salt content
Authors: Lv Xiangyun , Guo Yuanxin , Zhuang Yingping , Wang Yonghong
Published: September 2015

A new HPAEC-PAD method with an off-line sample clean-up procedure has been developed for the determination of residual sugar composition in l-lactic acid industrial fermentation broth with a high salt content.
Non-motile sperm cell separation using a spiral channel
Authors: Son Jiyoung , Murphy Kristin , Samuel Raheel , Gale Bruce K. , Carrell Douglas T. , Hotaling James M.
Published: September 2015

Inertial microfluidics are used to continuously separate non-motile sperm from blood and other contaminants.
Extraction of plant growth regulators present in Kappaphycus alvarezii sap using imidazolium based ionic liquids: detection and quantification by using HPLC-DAD technique
Authors: Das Arun Kumar , Prasad Kamalesh
Published: September 2015

Among three different hydrophobic ionic liquids, [Bmim][PF6] was found to extract selectively trans-zeatin and indole-3-acetic acid from Kappaphycus alvarezii sap.
Electronic communication of cells with a surface mediated by boronic acid saccharide interactions
Authors: Stephenson-Brown Alex , Yong Sue , Mansor Muhammad H. , Hussein Zarrar , Yip Nga-Chi , Mendes Paula M. , Fossey John S. , Rawson Frankie J.
Published: September 2015

Gold surfaces were molecularly tailored with a saccharide binding motif capable of covalently adhering cells. This facilitated communicationviathe macrophage membrane with implications for understanding mammalian cell signalling.
Protein conformation by EPR spectroscopy using gadolinium tags clicked to genetically encoded p-azido-l-phenylalanine
Authors: Abdelkader E. H. , Feintuch A. , Yao X. , Adams L. A. , Aurelio L. , Graham B. , Goldfarb D. , Otting G.
Published: September 2015

First example of gadolinium tags attached to a pair of unnatural amino acids for distance measurements by double electron–electron resonance.
Brønsted acid-catalyzed Mannich reaction through dual activation of aldehydes and N-Boc-imines
Authors: Kano Taichi , Aota Yusuke , Asakawa Daisuke , Maruoka Keiji
Published: September 2015

In the presence of a Brønsted acid catalyst, both aldehydes and N-Boc-aminals were converted to enecarbamates and N-Boc-iminium salts as activated nucleophiles and electrophiles, respectively, giving unprecedented Mannich adducts.
Energy-efficient, microwave-assisted hydro/solvothermal synthesis of hierarchical flowers and rice grain-like ZnO nanocrystals as photoanodes for high performance dye-sensitized solar cells
Authors: Krishnapriya R. , Praneetha S. , Vadivel Murugan A.
Published: September 2015

Hierarchical ZnO with different morphologies have been synthesized via rapid microwave-solvothermal method. Innovative ZnO nano-hybrid architecture photoanode based DSSCs showed remarkable enhancement in solar power conversion efficiency as high as 5.64%.
Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate)
Authors: Barone Vincenzo , Bellina Fabio , Biczysko Malgorzata , Bloino Julien , Fornaro Teresa , Latouche Camille , Lessi Marco , Marianetti Giulia , Minei Pierpaolo , Panattoni Alessandro , Pucci Andrea
Published: September 2015

Integrated study on the novel organic fluorophores: toward their application in luminescent solar concentrators.
Excess electron reactivity in amino acid aqueous solution revealed by ab initio molecular dynamics simulation: anion-centered localization and anion-relayed electron transfer dissociation
Authors: Wu Xiuxiu , Gao Liang , Liu Jinxiang , Yang Hongfang , Wang Shoushan , Bu Yuxiang
Published: September 2015

Radiation-generated secondary electrons can interact with glycine or the backbone parts of amino acids in different modes in aqueous solution.
The effect of surface modification by reduced graphene oxide on the electrocatalytic activity of nickel towards the hydrogen evolution reaction
Authors: Chanda Debabrata , Hnát Jaromír , Dobrota Ana S. , Pašti Igor A. , Paidar Martin , Bouzek Karel
Published: September 2015

The RGO-modified Ni electrode exhibited outstanding activity towards HER. DFT calculations indicate that H atoms, formed upon H2O discharge on Ni, spill onto the RGO, enabling continuous clearance of Ni-active sites.
Assessment of DFT methods for studying acid gas capture by ionic liquids
Authors: García Gregorio , Atilhan Mert , Aparicio Santiago
Published: September 2015

For the first time, this work reports an analysis of the performance of Density Functional methods for studying acid gas capture (CO2 and SO2) by ionic liquids (ILs).
Niobium phytate prepared from phytic acid and NbCl5: a highly efficient and heterogeneous acid catalyst
Authors: Xue Zhimin , Zhang Yuwei , Li Guofeng , Wang Jinfang , Zhao Wancheng , Mu Tiancheng
Published: September 2015

Niobium phytate, designed from phytic acid and NbCl5, showed high activity for cyanosilylation of carbonyl compounds and dehydration of carbohydrates.
Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3core structure
Authors: Schädle Dorothea , Meermann-Zimmermann Melanie , Maichle-Mössmer Cäcilia , Schädle Christoph , Törnroos Karl W. , Anwander Reiner
Published: September 2015

Although protected from intermolecular deactivation by a picket-fence-type arrangement of bulky amido ligands the CH22−moiety is readily converted into oxo species.
Phenyl-triazine oligomers for light-driven hydrogen evolution
Authors: Schwinghammer K. , Hug S. , Mesch M. B. , Senker J. , Lotsch B. V.
Published: September 2015

Carbon nitride oligomers derived from the covalent triazine framework CTF-1 constitute a new generation of tunable hydrogen evolution photocatalysts, which show moderate activities even without the addition of a co-catalyst.
Multi-ring aromatic carbonyl compounds enabling high capacity and stable performance of sodium-organic batteries
Authors: Wang Heng-guo , Yuan Shuang , Si Zhenjun , Zhang Xin-bo
Published: September 2015

Herein we report that organic compounds comprising planar C6ring structures and carboxylate groups can function as an excellent anode material for sodium-organic batteries.
Kinetic and economic analysis of reactive capture of dilute carbon dioxide with Grignard reagents
Authors: Dowson G. R. M. , Dimitriou I. , Owen R. E. , Reed D. G. , Allen R. W. K. , Styring P.
Published: September 2015

Carbon Dioxide Utilisation (CDU) processes face significant challenges, especially in the energetic cost of carbon capture from flue gas and the uphill energy gradient for CO2reduction. Both of these stumbling blocks can be addressed by using alkaline earth metal compounds, such as Grignard reagents, as sacrificial capture agents. We have investigated the performance of these reagents in their ability to both capture and activate CO2directly from dried flue gas (essentially avoiding the costly capture process entirely) at room temperature and ambient pressures with high yield and selectivity. Naturally, to make the process sustainable, these reagents must then be recycled and regenerated. This would potentially be carried out using existing industrial processes and renewable electricity. This offers the possibility of creating a closed loop system whereby alcohols and certain hydrocarbons may be carboxylated with CO2and renewable electricity to create higher-value products containing captured carbon. A preliminary Techno-Economic Analysis (TEA) of an example looped process has been carried out to identify the electrical and raw material supply demands and hence determine production costs. These have compared broadly favourably with existing market values.
Anti-inflammatory activity of horseradish (Armoracia rusticana) root extracts in LPS-stimulated macrophages
Authors: Marzocco Stefania , Calabrone Luana , Adesso Simona , Larocca Marilena , Franceschelli Silvia , Autore Giuseppina , Martelli Giuseppe , Rossano Rocco
Published: September 2015

Horseradish (Armoracia rusticana) is a perennial crop belonging to the Brassicaceae family.
Chemo-enzymatic synthesis of 11-hydroxyundecanoic acid and 1,11-undecanedioic acid from ricinoleic acid
Authors: Jang Hyun-Young , Singha Kaushik , Kim Hwan-Hee , Kwon Yong-Uk , Park Jin-Byung
Published: September 2015

A practical chemoenzymatic synthetic method for 11-hydroxyundecanoic acid and 1,11-undecanedioic acid from ricinoleic acid (12-hydroxyoleic acid) was investigated.
Upcycling of waste paper and cardboard to textiles
Authors: Ma Y. , Hummel M. , Määttänen M. , Särkilahti A. , Harlin A. , Sixta H.
Published: September 2015

Complete dissolution of cellulosic waste material in a superbase-derived ionic liquid allows for the production of textile products.
Dual-porous metal organic framework for room temperature CO2fixation via cyclic carbonate synthesis
Authors: Babu Robin , Kathalikkattil Amal Cherian , Roshan Roshith , Tharun Jose , Kim Dong-Woo , Park Dae-Won
Published: September 2015

An approach employing a dual-porous metal organic framework as a catalyst for room temperature CO2fixationviacyclic carbonate synthesis with high selectivity towards cyclic carbonates under solvent free conditions was demonstrated.
Materials for microfabricated implantable devices: a review
Authors: Scholten Kee , Meng Ellis
Published: September 2015

A review of microfabricated implantable devices that examines the critical role of material choice in design and fabrication.
Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations
Authors: Smirnov Andrey S. , Yandanova Ekaterina S. , Bokach Nadezhda A. , Starova Galina L. , Gurzhiy Vladislav V. , Avdontceva Margarita S. , Zolotarev Andrey A. , Kukushkin Vadim Yu.
Published: September 2015

ZnII-activated cyanamides NCNR2 react with the acyclic N-alkyl ketonitrones Ph2CN+(O−)R′ achieving uncomplexed 2,3-dihydro-1,2,4-oxadiazoles.
Polyvinylidene fluoride molecules in nanofibers, imaged at atomic scale by aberration corrected electron microscopy
Authors: Lolla Dinesh , Gorse Joseph , Kisielowski Christian , Miao Jiayuan , Taylor Philip L. , Chase George G. , Reneker Darrell H.
Published: September 2015

Atomic scale twist of polyvinylidene fluoride molecules (PVDF) was observed with aberration corrected transmission electron microscopy.
Mapping viscoelastic properties of healthy and pathological red blood cells at the nanoscale level
Authors: Ciasca G. , Papi M. , Di Claudio S. , Chiarpotto M. , Palmieri V. , Maulucci G. , Nocca G. , Rossi C. , De Spirito M.
Published: September 2015

In order to pass through the microcirculation, red blood cells (RBCs) need to undergo extensive deformations and to recover the original shape.
Role of keto–enol tautomerization in a chiral phosphoric acid catalyzed asymmetric thiocarboxylysis of meso-epoxide: a DFT study
Authors: Ajitha Manjaly J. , Huang Kuo-Wei
Published: September 2015

The mechanism of a chiral phosphoric acid catalyzed thiocarboxylysis ofmeso-epoxide was investigated by density functional theory (DFT) calculations (M06-2X).
Convenient synthesis of α,β-unsaturated γ-butyrolactones and γ-butyrolactams via decarboxylative iodination of paraconic acids and β-carboxyl-γ-butyrolactams using 1,3-diiodo-5,5-dimethylhydantoin
Authors: Phae-nok Supasorn , Kuhakarn Chutima , Pohmakotr Manat , Reutrakul Vichai , Soorukram Darunee
Published: September 2015

A convenient synthetic approach to α,β-unsaturated γ-butyrolactones and γ-butyrolactams is reported.
A robust procedure for large scale synthesis of a high molar mass, unsubstituted poly(m,p-phenylene)
Authors: Deffner Bernd , Schlüter A. Dieter
Published: September 2015

A high molar mass poly(m,p-phenylene) with acid cleavable side chains was synthesised. Further, the material was processed into films and subjected to a cleaving procedure yielding insoluble films of unsubstituted polyphenylene.
Controlling the morphology of glyco-nanoparticles in water using block copolymer mixtures: the effect on cellular uptake
Authors: Dag Aydan , Lu Hongxu , Stenzel Martina
Published: September 2015

Poly[(2-(α-d-mannosyloxy)ethyl acrylate)-block-(n-butyl acrylate)], P(ManA-b-BA), and poly[poly(ethylene glycol) methyl ether acrylate]-block-(n-butyl acrylate)], P(OEGMEA-b-BA) diblock copolymers were mixed at various ratios to generate self-assembled structures of different morphologies.
Facile fabrication of RGO wrapped LiMn2O4 nanorods as a cathode with enhanced specific capacity
Authors: He Jiarui , Chen Yuanfu , Li Pingjian , Fu Fei , Liu Jingbo , Wang Zegao
Published: September 2015

A facile method with ethanol assisted dispersion combined with a magnetic stirrer to prepare reduced graphene oxide (RGO) wrapped LiMn2O4 nanorods (LNs) is presented.
ZnWO4/ZnWO4 : Eu3+ inverse opal photonic crystal scintillator: efficient phosphors in radiation detection
Authors: Liu Xiaoyan , Song Hongwei , Xu Wen , Wang Yunfeng , Zhou Pingwei , Zhou Donglei , Dong Biao , Xu Lin , Peng Xincun
Published: September 2015

Phosphors with photonic crystal (PC) structures may demonstrate modulated optical properties and have potential applications in various optical devices.
Design, synthesis and biological evaluation of a novel Cu2+-selective fluorescence sensor for bio-detection and chelation
Authors: Gao Yu , Li Yazhen , Yang Xiping , He Fangfei , Huang Jiamei , Jiang Minghong , Zhou Zaihui , Chen Haijun
Published: September 2015

A new coumarin-based Cu2+-selective fluorescent sensor was designed and synthesized and the ability of this fluorescent sensor for the detection and chelation of Cu2+ in cultured cells was investigated.
Effect of ionic strength on phosphorus sorption in different sediments from a eutrophic plateau lake
Authors: Huang Wei , Lu Ying , Li Jihua , Zheng Zheng , Zhang Jibiao , Jiang Xia
Published: September 2015

Use modified model to evaluate the dual nature of sediments as a pool or source of phosphorus.
Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism
Authors: Adrover Miquel , Sanchis Pilar , Vilanova Bartolomé , Pauwels Kris , Martorell Gabriel , Pérez Juan Jesús
Published: September 2015

NMR has been used to elucidate the folding pathway of neuromedin C and to characterize the architecture of the NMC–SDS micelle complex. Its C-terminal region is more prone to acquire an α-helical fold than the N-terminus, and it also binds to micelles.
Synthesis, characterization and ion-exchange properties of novel hybrid polymer nanocomposites for selective and effective mercury(ii) removal
Authors: Siva S. , Sudharsan S. , Sayee Kannan R.
Published: September 2015

A schematic representation of the current research work.
MnO2 catalyzed formylation of amines and transamidation of amides under solvent-free conditions
Authors: Yedage Subhash L. , D'silva Denvert S. , Bhanage Bhalchandra M.
Published: September 2015

A facile and efficient MnO2 catalyzed one-pot protocol for formylation of amine and transamidation of primary and secondary amides by amines has been developed.
Microparticle-enhanced production of ε-poly-l-lysine in fed-batch fermentation
Authors: Ren Xi-Dong , Xu Yong-Jie , Zeng Xin , Chen Xu-Sheng , Tang Lei , Mao Zhong-Gui
Published: September 2015

Small pellets with loose interior were obtained with talc. Consequently, oxygen and nutrition supply was enhanced, which promoted mycelia activity.
One-pot synthesis of tetrahydro-4H-chromenes by supramolecular catalysis in water
Authors: Ren Yufeng , Zhang Wei , Lu Jun , Gao Kai , Liao Xiali , Chen Xiaozhen
Published: September 2015

Tetrahydro-4H-chromenes were synthesizedviaan efficient one-pot three-component protocol by supramolecular catalysis with β-cyclodextrin in water.
MALDI-TOF MS and ESI-LTQ-Orbitrap tandem mass spectrometry reveal specific porphyranase activity from a Pseudoalteromonas atlantica bacterial extract
Authors: Przybylski C. , Correc G. , Fer M. , Gonnet F. , Helbert W. , Daniel R.
Published: September 2015

Mass spectrometry analysis highlighted an unprecedented β-methyl-porphyranase activity in protein extract fromPseudoalteromonas atlantica, which can accommodate the methylated building blocks of porphyran.
Enhanced stabilisation of tetragonal (t)-ZrO2 in the controlled nanotubular geometry
Authors: Kim Hyunchul , Kim Myungjun , Bae Changdeuck , Kim Eunsoo , Lee Seonhee , Montero-Moreno Josep M. , Jung Hyun Suk , Shin Hyunjung
Published: September 2015

Precise control of the structure of nanogranular materials over different polymorphs is directly related to the manifestation of the desired and resultant properties.
Palladium(0)-catalyzed direct C–H hetero-arylation of 2-arylimidazo [1,2-a]pyridines with (E)-1-(5-bromothiophen-2-yl)-3-arylprop-2-en-1-ones and their anticancer activity
Authors: Vellakkaran Mari , Lingayya Rajaka , Naveen Kumar Bejjanki , Nagaiah Kommu , Poornachandra Y. , Ganesh Kumar C.
Published: September 2015

An efficient palladium(0)-catalyzed direct hetero-arylation of imidazo[1,2-a]pyridines at the C-3 position of the imidazole ring has been described.
Preparation and characterisation of transparent and flexible PEDOT:PSS/PANI electrodes by ink-jet printing and electropolymerisation
Authors: Vacca Annalisa , Mascia Michele , Rizzardini Simone , Corgiolu Simona , Palmas Simonetta , Demelas Monia , Bonfiglio Annalisa , Ricci Pier Carlo
Published: September 2015

A hybrid polymeric electrode PEDOT:PSS/PANI was prepared by ink-jet printing and electropolymerisation, obtaining high capacitance, low resistivity and linear response to pH in a large window.
Molecular dynamics simulation of the slip systems in VN
Authors: Fu Tao , Peng Xianghe , Zhao Yinbo , Sun Rong , Yin Deqiang , Hu Ning , Wang Zhongchang
Published: September 2015

We calculate the generalized stacking fault energies along different slip directions in various slip planes of VN and found that the 〈110〉 directions show the lowest maximum stacking fault energies.
One-step fabrication of polymeric hybrid particles with core–shell, patchy, patchy Janus and Janus architectures via a microfluidic-assisted phase separation process
Authors: Cao Xiaodong , Li Wenxiu , Ma Ting , Dong Hua
Published: September 2015

We report in this paper a one-step route for the preparation of core–shell, patchy, patchy Janus and Janus particles via a microfluidic-assisted phase separation process.
Next-generation disulfide stapling: reduction and functional re-bridging all in one
Authors: Lee Maximillian T. W. , Maruani Antoine , Baker James R. , Caddick Stephen , Chudasama Vijay
Published: September 2015

A next-generation disulfide stapling reagent, incorporating both reducing and re-bridging functions, is shown to be successful across various proteins.
Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones
Authors: Wang De , Wang Guo-Peng , Sun Yao-Liang , Zhu Shou-Fei , Wei Yin , Zhou Qi-Lin , Shi Min
Published: September 2015

The first regioselective catalytic asymmetric [3 + 2] cycloaddition of benzofuranone-derived olefins with allenoates and substituted allenoates has been developed in the presence of (R)-SITCP.
Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene
Authors: Wu Di , Ganguly Rakesh , Li Yongxin , Hoo Sin Ni , Hirao Hajime , Kinjo Rei
Published: September 2015

Under ambient conditions, a [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine 1 with ethylene afforded a bicyclo[2.2.2] derivative 2, which was structurally characterized.
Structurally ordered Pt–Zn/C series nanoparticles as efficient anode catalysts for formic acid electrooxidation
Authors: Zhu Jing , Zheng Xin , Wang Jie , Wu Zexing , Han Lili , Lin Ruoqian , Xin Huolin L. , Wang Deli
Published: September 2015

Structurally ordered Pt3Zn and PtZn nanoparticles with ultrasmall particle sizes were obtained and exhibited enhanced catalytic activity toward HCOOH electrooxidation.
Synergistic enhancement and mechanism study of mechanical and moisture stability of perovskite solar cells introducing polyethylene-imine into the CH3NH3PbI3/HTM interface
Authors: Yun Jae Hoon , Lee Inhwa , Kim Taek-Soo , Ko Min Jae , Kim Jin Young , Son Hae Jung
Published: September 2015

Introduction of polyethyleneimine (PEI) onto the perovskite layer allows HTMs to strongly adhere to the perovskite layer, simultaneously enhancing moisture stability.
Electronic properties and lithium storage capacities of two-dimensional transition-metal nitride monolayers
Authors: Pan Hui
Published: September 2015

Li diffusion on MXene with low energy barrier.
Three-dimensional molecular donors combined with polymeric acceptors for high performance fullerene-free organic photovoltaic devices
Authors: Liu Shi-Yong , Jung Jae Woong , Li Chang-Zhi , Huang Jiang , Zhang Jianyuan , Chen Hongzheng , Jen Alex K.-Y.
Published: September 2015

Two novel diketopyrrolopyrrole-based 3D electron donors are synthesized via direct arylation. Fullerene-free OPVs based on the 3D molecular donor : polymer acceptor show a respectable power conversion efficiency of 4.64%, which outperforms OPVs derived from PC71BM.
Photonic crystals for sensitized solar cells: fabrication, properties, and applications
Authors: Xie Keyu , Guo Min , Huang Haitao
Published: September 2015

The fabrication strategies and optical properties of photonic crystals are reviewed with a focus on their application in sensitized solar cells.
Mechanisms of ethylene biosynthesis and response in plants
Authors: Larsen Paul B.
Published: September 2015

Ethylene is the simplest unsaturated hydrocarbon, yet it has profound effects on plant growth and development, including many agriculturally important phenomena. Analysis of the mechanisms underlying ethylene biosynthesis and signalling have resulted in the elucidation of multistep mechanisms which at first glance appear simple, but in fact represent several levels of control to tightly regulate the level of production and response. Ethylene biosynthesis represents a two-step process that is regulated at both the transcriptional and post-translational levels, thus enabling plants to control the amount of ethylene produced with regard to promotion of responses such as climacteric flower senescence and fruit ripening. Ethylene production subsequently results in activation of the ethylene response, as ethylene accumulation will trigger the ethylene signalling pathway to activate ethylene-dependent transcription for promotion of the response and for resetting the pathway. A more detailed knowledge of the mechanisms underlying biosynthesis and the ethylene response will ultimately enable new approaches to be developed for control of the initiation and progression of ethylene-dependent developmental processes, many of which are of horticultural significance.
The molecular circuit of steroid signalling in plants
Authors: Hartwig Thomas , Wang Zhi-Yong
Published: September 2015

Steroid hormones are key regulators of growth and physiology in both plants and animals. The plant steroid hormones known as brassinosteroids (BRs) are essential for a wide range of developmental processes throughout the life cycle. In contrast with animal steroid hormones, which act mostly through nuclear receptors, BRs act through a cell-surface receptor kinase. The BR signal transduction pathway from the cell-surface receptor to nuclear gene expression has been elucidated in great molecular detail, and thus serves as a paradigm for receptor kinase signalling in plants. Furthermore, several mechanisms of signal integration have been identified that explain how BRs and other hormonal and environmental signals co-regulate specific developmental outputs in a synergistic or antagonistic manner.
Comparison of plant hormone signalling systems
Authors: Larrieu Antoine , Vernoux Teva
Published: September 2015

Plant growth and development are controlled by nine structurally distinct small molecules termed phytohormones. Over the last 20 years, the molecular basis of their signal transduction, from receptors to transcription factors, has been dissected using mainly Arabidopsis thaliana and rice as model systems. Phytohormones can be broadly classified into two distinct groups on the basis of whether the subcellular localization of their receptors is in the cytoplasm or nucleus, and hence soluble, or membrane-bound, and hence insoluble. Soluble receptors, which control the responses to auxin, jasmonates, gibberellins, strigolactones and salicylic acid, signal either directly or indirectly via the destruction of regulatory proteins. Responses to abscisic acid are primarily mediated by soluble receptors that indirectly regulate the phosphorylation of targeted proteins. Insoluble receptors, which control the responses to cytokinins, brassinosteroids and ethylene, transduce their signal through protein phosphorylation. This chapter provides a comparison of the different components of these signalling systems, and discusses the similarities and differences between them.
Stability analysis and performance improvement of uncertain linear systems with designing of a suitable reset law
Authors: Ghaffari Valiollah , Karimaghaee Paknosh , Khayatian Alireza
Published: September 2015

In reset control systems, the reset law is a main characteristic of the reset controllers. In this study, a model prediction‐based framework is proposed to determine a suitable reset law for the uncertain linear control system. For achieving this goal, first a typical uncertain linear plant is considered and then the state space of the closed‐loop system, which consists of the uncertain plant and a linear controller, is formulated. The stability problem of such uncertain system is translated into a feasibility assessment of some linear matrix inequality sets and then based on the model prediction strategy a reset law is derived to minimise a quadratic cost function. When the system states enter into a reset set, according to the computed reset law, the controller states are reset. This method is applied to a typical distillation column to show the effectiveness of the proposed approach and is compared with non‐reset control system.
Dynamics of electroforming in binary metal oxide-based resistive switching memory
Authors: Sharma Abhishek A. , Karpov Ilya V. , Kotlyar Roza , Kwon Jonghan , Skowronski Marek , Bain James A.
Published: September 2015

The onset of localized conduction in TaOx- and TiOx-based resistive switching devices during forming has been characterized. The novel temperature and voltage dependencies of forming times were extracted with pulsed forming experiments that spanned five orders of magnitude in time and showed three different regimes of electroforming. A universal field-induced-nucleation theory which included self-heating effects was used to explain a strong reduction in forming voltage with increasing forming time over all observed regimes of electroforming. It was shown that the effective activation energy for the incubation time changes inversely proportional with the electric field. A diameter of the volatile filament that precedes forming was estimated at ∼1 nm.
Energetics, diffusion, and magnetic properties of cobalt atom in a monolayer graphene: An ab initio study
Authors: Raji Abdulrafiu T. , Lombardi Enrico B.
Published: September 2015

We use ab initio methods to study the binding, diffusion, and magnetic properties of cobalt atom embedded in graphene vacancies. We investigate the diffusion of Co-monovacancy (Co-MV) and Co-divacancy (Co-DV) defect complexes, and determine the minimum energy path (MEP), as well as the activation energy barrier of migration. We obtained similar activation energy barriers, of ∼5.8 eV, for Co-MV and Co-DV diffusion, respectively. Our calculations also suggest that, at electron–irradiation energy of 200 keV as used in a related experiment, the maximum energy transfer to the Co atom, of approximately 9.0 eV is sufficiently high to break metal-carbon bonding. The incident electron energy is also high enough to displace graphene's carbon atoms from their lattice positions. The breaking of metal-carbon bonding and the displacement of graphene atoms may act to facilitate the migration of Co. We conclude therefore that the detrapping and diffusion of cobalt as observed experimentally is likely to be radiation-induced, similar to what has been observed for Au and Fe in electron-irradiated graphene. Furthermore, we show that Co migration in graphene is such that its magnetic moment varies along the diffusion path. The magnetic moment of Co is consistently higher in Co-DV diffusion when compared to that of Co-MV diffusion.
Resonance hybridization and near field properties of strongly coupled plasmonic ring dimer-rod nanosystem
Authors: Koya Alemayehu Nana , Ji Boyu , Hao Zuoqiang , Lin Jingquan
Published: September 2015

Combined effects of polarization, split gap, and rod width on the resonance hybridization and near field properties of strongly coupled gold dimer-rod nanosystem are comparatively investigated in the light of the constituent nanostructures. By aligning polarization of the incident light parallel to the long axis of the nanorod, introducing small split gaps to the dimer walls, and varying width of the nanorod, we have simultaneously achieved resonance mode coupling, huge near field enhancement, and prolonged plasmon lifetime. As a result of strong coupling between the nanostructures and due to an intense confinement of near fields at the split and dimer-rod gaps, the extinction spectrum of the coupled nanosystem shows an increase in intensity and blueshift in wavelength. Consequently, the near field lifespan of the split-nanosystem is prolonged in contrast to the constituent nanostructures and unsplit-nanosystem. On the other hand, for polarization of the light perpendicular to the long axis of the nanorod, the effect of split gap on the optical responses of the coupled nanosystem is found to be insignificant compared to the parallel polarization. These findings and such geometries suggest that coupling an array of metallic split-ring dimer with long nanorod can resolve the huge radiative loss problem of plasmonic waveguide. In addition, the Fano-like resonances and immense near field enhancements at the split and dimer-rod gaps imply the potentials of the nanosystem for practical applications in localized surface plasmon resonance spectroscopy and sensing.
Fabrication and characterization of GaN nanowire doubly clamped resonators
Authors: Maliakkal Carina B. , Mathew John P. , Hatui Nirupam , Rahman A. Azizur , Deshmukh Mandar M. , Bhattacharya Arnab
Published: September 2015

Gallium nitride (GaN) nanowires (NWs) have been intensely researched as building blocks for nanoscale electronic and photonic device applications; however, the mechanical properties of GaN nanostructures have not been explored in detail. The rigidity, thermal stability, and piezoelectric properties of GaN make it an interesting candidate for nano-electromechanical systems. We have fabricated doubly clamped GaN NW electromechanical resonators on sapphire using electron beam lithography and estimated the Young's modulus of GaN from resonance frequency measurements. For wires of triangular cross section with side ∼90 nm, we obtained values for the Young's modulus to be about 218 and 691 GPa, which are of the same order of magnitude as the values reported for bulk GaN. We also discuss the role of residual strain in the nanowire on the resonant frequency and the orientation dependence of the Young's modulus in wurtzite crystals.
Kinetic structures of quasi-perpendicular shocks in global particle-in-cell simulations
Authors: Peng Ivy Bo , Markidis Stefano , Laure Erwin , Johlander Andreas , Vaivads Andris , Khotyaintsev Yuri , Henri Pierre , Lapenta Giovanni
Published: September 2015

We carried out global Particle-in-Cell simulations of the interaction between the solar wind and a magnetosphere to study the kinetic collisionless physics in super-critical quasi-perpendicular shocks. After an initial simulation transient, a collisionless bow shock forms as a result of the interaction of the solar wind and a planet magnetic dipole. The shock ramp has a thickness of approximately one ion skin depth and is followed by a trailing wave train in the shock downstream. At the downstream edge of the bow shock, whistler waves propagate along the magnetic field lines and the presence of electron cyclotron waves has been identified. A small part of the solar wind ion population is specularly reflected by the shock while a larger part is deflected and heated by the shock. Solar wind ions and electrons are heated in the perpendicular directions. Ions are accelerated in the perpendicular direction in the trailing wave train region. This work is an initial effort to study the electron and ion kinetic effects developed near the bow shock in a realistic magnetic field configuration.
Transcendental equations in the Schwinger-Keldysh nonequilibrium theory and nonvanishing correlations
Authors: Giraldi Filippo
Published: September 2015

The Schwinger-Keldysh nonequilibrium theory allows the description of various transport phenomena involving bosons (fermions) embedded in bosonic (fermionic) environments. The retarded Green’s function obeys the Dyson equation and determines via its non-vanishing asymptotic behavior the dissipationless open dynamics. The appearance of this regime is conditioned by the existence of the solution of a general class of transcendental equations in complex domain that we study. Particular cases consist in transcendental equations containing exponential, hyperbolic, power law, logarithmic, and special functions. The present analysis provides an analytical description of the thermal and temporal correlation function of two general observables of a quantum system in terms of the corresponding spectral function. Special integral properties of the spectral function guarantee non-vanishing asymptotic behavior of the correlation function.
Framework to predict optimal buffer layer pairing for thin film solar cell absorbers: A case study for tin sulfide/zinc oxysulfide
Authors: Mangan Niall M. , Brandt Riley E. , Steinmann Vera , Jaramillo R. , Yang Chuanxi , Poindexter Jeremy R. , Chakraborty Rupak , Park Helen Hejin , Zhao Xizhu , Gordon Roy G. , Buonassisi Tonio
Published: September 2015

An outstanding challenge in the development of novel functional materials for optoelectronic devices is identifying suitable charge-carrier contact layers. Herein, we simulate the photovoltaic device performance of various n-type contact material pairings with tin(II) sulfide (SnS), a p-type absorber. The performance of the contacting material, and resulting device efficiency, depend most strongly on two variables: conduction band offset between absorber and contact layer, and doping concentration within the contact layer. By generating a 2D contour plot of device efficiency as a function of these two variables, we create a performance-space plot for contacting layers on a given absorber material. For a simulated high-lifetime SnS absorber, this 2D performance-space illustrates two maxima, one local and one global. The local maximum occurs over a wide range of contact-layer doping concentrations (below 1016 cm−3), but only a narrow range of conduction band offsets (0 to −0.1 eV), and is highly sensitive to interface recombination. This first maximum is ideal for early-stage absorber research because it is more robust to low bulk-minority-carrier lifetime and pinholes (shunts), enabling device efficiencies approaching half the Shockley-Queisser limit, greater than 16%. The global maximum is achieved with contact-layer doping concentrations greater than 1018 cm−3, but for a wider range of band offsets (−0.1 to 0.2 eV), and is insensitive to interface recombination. This second maximum is ideal for high-quality films because it is more robust to interface recombination, enabling device efficiencies approaching the Shockley-Queisser limit, greater than 20%. Band offset measurements using X-ray photoelectron spectroscopy and carrier concentration approximated from resistivity measurements are used to characterize the zinc oxysulfide contacting layers in recent record-efficiency SnS devices. Simulations representative of these present-day devices suggest that record efficiency SnS devices are optimized for the second local maximum, due to low absorber lifetime and relatively well passivated interfaces. By employing contact layers with higher carrier concentrations and lower electron affinities, a higher efficiency ceiling can be enabled.
Switchable diode-effect mechanism in ferroelectric BiFeO3 thin film capacitors
Authors: Matsuo Hiroki , Kitanaka Yuuki , Inoue Ryotaro , Noguchi Yuji , Miyayama Masaru
Published: September 2015

We investigate the mechanism of a switchable diode behavior observed in ferroelectric SrRuO3/BiFeO3 (BFO)/SrRuO3 capacitors. We experimentally demonstrate that the switchable diode effect observed in the capacitors is induced by the polarization reversal in the BFO film. The conductivity in an Ohmic region in different oxidation states provides direct evidence that electron hole acts as the majority carrier, delivering p-type conduction. Density functional theory (DFT) calculations show that the p-type conduction arises from an unoccupied gap state of Fe4+ in an FeO5 pyramid which is derived from Bi vacancy. Our experimental and DFT study leads to the conclusion that the switchable diode effect originates from an asymmetric band bending in the top and bottom depletion layers modulated by ferroelectric polarization and oxygen vacancies.
Mechanisms of metastable states in CuZr systems with glass-like structures
Authors: Song Wen-Xiong , Zhao Shi-Jin , Wang Gang
Published: September 2015

The local structural inhomogeneity of glasses, as evidenced from broad bond-length distributions (BLDs), has been widely observed. However, the relationship between this particular structural feature and metastable states of glassy solids is poorly understood. It is important to understand the main problems of glassy solids, such as the plastic deformation mechanisms and glass-forming ability. The former is related to β-relaxation, the relaxation of a system from a subbasin to another in the potential energy landscape (PEL). The latter represents the stability of a metastable state in the PEL. Here, we explain the main reason why CuZr systems with glass-like structures exist in metastable states: a large strain energy. The calculation results obtained in this study indicate that a system with broad BLD has a large strain energy because of the nonlinear and asymmetric strain energy of bonds. Unstable polyhedra have larger volumes and more short and long bonds than stable polyhedra, which are most prone to form deformation units. The driving force for pure metal crystallization was also elucidated to be the decrease in strain energy. The results obtained in this study, which are verified by a series of calculations as well as molecular dynamics simulations, indicate the presence of metastable states in amorphous materials and elucidate the mechanisms of plastic deformation and the driving force for crystallization without chemical bonding.