bluuebunny/crossref_metadata_2025 huggingface dataset:
Microwave regeneration of spent activated carbon for the treatment of ester-containing wastewater
Authors: Zheng Tianlong , Wang Qunhui , Shi Zhining , Zhang Zhihui , Ma Yuhui
Published: June 2016

In this study, an integrated granular activated carbon (GAC) adsorption/microwave (MW) irradiation process was used for the treatment of ester-containing wastewater from a lithium-ion battery (LIB) factory.
Methods to form atomically thin carbon coatings on SnS and SnO2nanostructures
Authors: Li Shuankui , Zheng Jiaxin , Zuo Shiyong , Wu Zhiguo , Yan Pengxun , Rogach Andrey L. , Pan Feng
Published: June 2016

We report a citric acid-assisted solvothermal method to construct C@SnS@C sandwich nanosheets, which assemble into 3D porous microspheres.
Electrochemical behaviour of chromium–graphene composite coating
Authors: M. Y. Rekha , Punith Kumar M. K. , Srivastava Chandan
Published: June 2016

This work illustrates the role of graphene in enhancing the corrosion resistant properties of chromium–graphene composite coating when compared to the corrosion resistant properties of pure chromium coating containing ZnO nanoparticles.
Excellent heat dissipation properties of the super-aligned carbon nanotube films
Authors: Zhang Guang , Jiang Shaohui , Zhang Hui , Yao Wei , Liu Changhong
Published: June 2016

Excellent heat dissipation properties of multilayer super-aligned carbon nanotube films were measured and a novel CNT CPU-radiator was proposed.
Adsorption mechanism on metal organic frameworks of Cu-BTC, Fe-BTC and ZIF-8 for CO2 capture investigated by X-ray absorption fine structure
Authors: Du Meng , Li Lina , Li Mingxing , Si Rui
Published: June 2016

XAFS analysis demonstrates the physical driving force, plus minor chemical transformation for the CO2 adsorption mechanism by MOFs.
A novel self-assembly with horizontal anchor porphyrin for supramolecular solar cells
Authors: Wu Yu , Zhang Jun-Xiang , Feng Xiao-Xia , Liu Jia-Cheng , Li Ren-Zhi , Jin Neng-Zhi
Published: June 2016

Novel horizontal anchor zinc porphyrin assemblies via zinc-to-ligand axial coordination approach immobilized on TiO2 electrode surface have been impressive increased photoelectric conversion efficiency in supramolecular solar cell.
Enhanced heat diffusion in nanofluid via DNA mediated aggregation
Authors: John Jisha , Thomas Lincy , Kurian Achamma , George Sajan D.
Published: June 2016

Thermal diffusivity increases with different shapes, concentration of gold nanoparticles and also with the addition of ssDNA while the addition of dsDNA found to be ineffective in causing any kind of change in the thermal diffusivity.
Influence of the Al content on the in vitro bioactivity and biocompatibility of PVD Ti1−xAlxN coatings for orthopaedic applications
Authors: Esguerra-Arce A. , Esguerra-Arce J. , Yate L. , Amaya C. , Coy L. E. , Aguilar Y. , Gutiérrez O. , Moya S.
Published: June 2016

The biomedical applications of titanium aluminium nitride (Ti1−xAlxN) coatings strongly depend on roughness, wettability and aluminium content.
Synthesis and extensive characterisation of phosphorus doped graphite
Authors: Matthews Peter D. , King Timothy C. , Glass Hugh , Magusin Pieter C. M. M. , Tustin Gary J. , Brown Philip A. C. , Cormack Jonathan A. , García-Rodríguez Raúl , Leskes Michal , Dutton Siân E. , Barker Paul D. , Grosche F. Malte , Alavi Ali , Grey Clare P. , Wright Dominic S.
Published: June 2016

The pyrolysis of 1,2-diphosphinobenzene at 800 °C gives a P-doped graphite with P content ca. 20 at%. The material contains substitutional P-atoms, PO units and intercalated, stabilized P4 molecules, which covalently bind Li as Li3P.
First total synthesis of cyclodepsipeptides clavatustide A and B and their enantiomers
Authors: Chettu Suresh Kumar , Madhu Rajesh Bagepalli , Raolji Gajendrasinh Balvantsinh , Babu Korupolu Raghu , Rao N. S. Kameswara , Gopalakrishnan Srividya , Ismail Ayesha , Reddy G. Bhanuprakash , Shafi Syed
Published: June 2016

The enantiopure synthesis of clavatustides A (1) and B (3) were accomplished by a seven step synthetic protocol starting from commercially available (R)-phenyllactic acid.
High pressure studies of Ni3[(C2H5N5)6(H2O)6](NO3)6·1.5H2O by Raman scattering, IR absorption, and synchrotron X-ray diffraction
Authors: Jiang Junru , Zhang Jianguo , Zhu Peifen , Li Jianfu , Wang Xiaoli , Li Dongmei , Liu Bingbing , Cui Qiliang , Zhu Hongyang
Published: June 2016

Molecular structure (a) and packing diagram (b) of 1. The green, grey, blue, red, and white spheres denote Ni, C, N, O, and H atoms, respectively.
Synthesis of quinoline acetohydrazide-hydrazone derivatives evaluated as DNA gyrase inhibitors and potent antimicrobial agents
Authors: Sridhar P. , Alagumuthu Manikandan , Arumugam Sivakumar , Reddy Sabbasani Rajasekhara
Published: June 2016

(E)-N′-(Substituted-benzylidene)-2-(7-fluoro-2-methoxyquinolin-8-yl)acetohydrazide-hydrazone derivatives9a–nrepresent a new series of antibacterial agents and DNA gyrase inhibitors.
A highly sensitive benzimidazole-based chemosensor for the colorimetric detection of Fe(ii) and Fe(iii) and the fluorometric detection of Zn(ii) in aqueous media
Authors: Kim Yong Sung , Lee Jae Jun , Lee Sun Young , Jo Tae Geun , Kim Cheal
Published: June 2016

A selective chemosensor1was developed for the colorimetric detection of Fe2+/3+and the fluorescent detection of Zn2+in aqueous solution.
Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15(M = Ta, Nb): a DFT study using HSE06
Authors: Zahedi Ehsan , Hojamberdiev Mirabbos , Bekheet Maged F.
Published: June 2016

Density functional theory has been used to investigate crystal structure, effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15(M = Ta, Nb) as UV-light-responsive photocatalysts.
Phosphoric acid doped imidazolium silane crosslinked poly(epichlorihydrin)/PTFE as high temperature proton exchange membranes
Authors: Yang Jingshuai , Liu Chao , Gao Liping , Wang Jin , Xu Yixin , Wang Tianyu , He Ronghuan
Published: June 2016

Phosphoric acid doped novel high temperature proton exchange membranes based on the imidazolium functionalized poly(epichlorohydrin) and porous polyetrafluoroethylene were fabricated and investigated.
Development of simple protocols to solve the problems of enzyme coimmobilization. Application to coimmobilize a lipase and a β-galactosidase
Authors: Peirce Sara , Virgen-Ortíz Jose J. , Tacias-Pascacio Veymar G. , Rueda Nazzoly , Bartolome-Cabrero Rocio , Fernandez-Lopez Laura , Russo Maria Elena , Marzocchella Antonio , Fernandez-Lafuente Roberto
Published: June 2016

The paper shows the coimmobilization of two enzymes using different immobilization strategies suitable for each enzyme and enabling the reuse of the most stable one.
Wet-chemical preparation of barium magnesium orthophosphate, Ba2Mg(PO4)2:Eu2+, nanorod phosphor with enhanced optical and photoluminescence properties
Authors: Song Hee Jo , Lee Chan Woo , Hwang Sung Won , Cho In Sun
Published: June 2016

We report a wet-chemical synthesis of yellow-emitting nanorod phosphors based on a Eu2+-doped Ba2Mg(PO4)2(BMP:Eu) orthophosphate compound, and its enhanced optical and photoluminescence properties.
Selective enrichment of low concentration Au(iii) from acidic chloride media by poly ionic liquid sorbent
Authors: Gui Wenjun , Zhu Xuan , Yang Ying
Published: June 2016

Hydrophilic ionic liquid (imidazolium chloride, imCl)–polyvinyl chloride ionomer (imCl–PVC) as a green sorbent to recover precious gold from acidic chloride solution was characterized by SEM, FTIR, XPS and NMR.
Co3O4 nanocrystals derived from a zeolitic imidazolate framework on Ni foam as high-performance supercapacitor electrode material
Authors: Yang Jinlin , Wei Fuxiang , Sui Yanwei , Qi Jiqiu , He Yezeng , Meng Qingkun , Zhang Shuai
Published: June 2016

A binder-free method was adopted to obtain a Ni foam/Co3O4 electrode.
Enhanced catalytic degradation of 4-NP using a superhydrophilic PVDF membrane decorated with Au nanoparticles
Authors: Wu Ziyang , Lin Haibo , Wang Yunze , Yu Xuemin , Li Jinglong , Xiong Zhu , Wang Yi , Huang Youju , Chen Tao , Liu Fu
Published: June 2016

A superhydrophilic PVDF membrane was decorated with Au nanoparticles with PDA spacers. The influence of membrane affinities on PDA deposition and catalytic performance was investigated.
Metal-enhanced fluorescence-based multilayer core–shell Ag-nanocube@SiO2@PMOs nanocomposite sensor for Cu2+ detection
Authors: Sun Baowen , Wang Chunsheng , Han Shuhua , Hu Yongfeng , Zhang Lijuan
Published: June 2016

The metal-enhanced fluorescence-based core–shell Ag-nanocube@SiO2@PMOs nanocomposite functionalized with rhodamine derived probe for Cu2+ detection was prepared.
Sensitive and accurate determination of sialic acids in serum with the aid of dispersive solid-phase extraction using the zirconium-based MOF of UiO-66-NH2 as sorbent
Authors: Qu Fengli , Xia Lian , Wu Chuanxiang , Liu Lijie , Li Guoliang , You Jinmao
Published: June 2016

An zirconium-based MOFs of UiO-66-NH2 has been synthetized and characterized in a dispersive solid-phase extraction procedure combined with HPLC with fluorescence detection for the pre-concentration and detection of sialic acids in serum samples.
Organic corrosion inhibitors for aluminium and its alloys in acid solutions: a review
Authors: Xhanari Klodian , Finšgar Matjaž
Published: June 2016

Corrosion inhibition of aluminium in acidic solutions using different organic compounds.
An ESIPT based fluorescent probe for imaging hydrogen sulfide with a large turn-on fluorescence signal
Authors: Deng Beibei , Ren Mingguang , Kong Xiuqi , Zhou Kai , Lin Weiying
Published: June 2016

A new ESIPT based fluorescent H2S probe was developed, which exhibited ideal properties such as large turn on fluorescence signal, good selectivity, and it was suitable for visualization of exogenous and endogenous H2S in living cells.
Pyrrolidinium herbicidal ionic liquids
Authors: Syguda Anna , Marcinkowska Katarzyna , Materna Katarzyna
Published: June 2016

In this work, sixteen new pyrrolidinium herbicidal ionic liquids (HILs) with phenoxycarboxylate anions were synthesized and characterized.
Reactivity of (poly)fluorobenzamides in palladium-catalysed direct arylations
Authors: Laidaoui Nouria , He Mian , El Abed Douniazad , Soulé Jean-François , Doucet Henri
Published: June 2016

Under PdCl2/PivOK as reaction conditions, fluoro substituents act as better directing groups than amides in the palladium-catalysed direct arylations.
Catalytic enantioselective oxa-hetero-Diels–Alder reactions of enones with aryl trifluoromethyl ketones
Authors: Zhang Dongxin , Tanaka Fujie
Published: June 2016

Asymmetric oxa-hetero-Diels–Alder reactions of enones with aryl trifluoromethyl ketones were developed to afford tetrahydropyranones bearing trifluoromethyl-substituted tetrasubstituted carbon centers.
Synergistic effect of pretreatment with dimethyl sulfoxide and an ionic liquid on enzymatic digestibility of white poplar and pine
Authors: Zhang Xin , Zhao Wenwen , Li Yujie , Li Chi , Yuan Qipeng , Cheng Gang
Published: June 2016

A systematic study on the interactions between dimethyl sulfoxide (DMSO) and an ionic liquid (IL), 1-ethyl-3-methylimidazolium acetate (EmimAc), during lignocellulosic biomass pretreatment was performed.
Post polymer modification of polyethylenimine with citrate esters: selectivity and hydrophobicity
Authors: Waggel Justine , Mathers Robert T.
Published: June 2016

Hydrophobic modification of water soluble PEI with citrate esters is selective and increases log Poct.
Synthesis and characterization of 2,2′-bithiophene end-capped dihexyloxy phenylene pentamer and its application in a solution-processed organic ultraviolet photodetector
Authors: Lim Lih Wei , Teh Chin Hoong , Daik Rusli , Sarih Norazilawati Muhamad , Mat Teridi Mohd Asri , Muhammad Fahmi Fariq , Sulaiman Khaulah
Published: June 2016

A new solution processable small organic material, 2,2′-bithiophene end-capped dihexyloxy phenylene (BHBT2) was synthesized and applied in organic UV photodetector, resulting the device exhibited fast, reversible and stable response upon detection.
Correction: Fabrication, characterization, bioactivity, and biocompatibility of novel mesoporous calcium silicate/polyetheretherketone composites
Authors: Hu G. F. , Quan R. F. , Chen Y. M. , Bi D. W. , Jiang X. S. , Li X. F. , Li J. Y.
Published: June 2016

Correction for ‘Fabrication, characterization, bioactivity, and biocompatibility of novel mesoporous calcium silicate/polyetheretherketone composites’ by Gangfeng Hu et al., RSC Adv., 2016, 6, 57131–57137.
In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis
Authors: Witman Matthew , Ling Sanliang , Anderson Samantha , Tong Lianheng , Stylianou Kyriakos C. , Slater Ben , Smit Berend , Haranczyk Maciej
Published: June 2016

We present the in silico design of MOFs exhibiting 1-dimensional rod topologies by enumerating MOF-74-type analogs based on the PubChem Compounds database. We simulate the adsorption behavior of CO2 in the generated analogs and experimentally validate a novel MOF-74 analog, Mg2(olsalazine).
Preparation of an ion with the highest calculated proton affinity: ortho-diethynylbenzene dianion
Authors: Poad Berwyck L. J. , Reed Nicholas D. , Hansen Christopher S. , Trevitt Adam J. , Blanksby Stephen J. , Mackay Emily G. , Sherburn Michael S. , Chan Bun , Radom Leo
Published: June 2016

Owing to the increased proton affinity that results from additional negative charges, multiply-charged anions are shown as a route to preparing powerful ‘superbases’.
Self-assembly of gold supraparticles with crystallographically aligned and strongly coupled nanoparticle building blocks for SERS and photothermal therapy
Authors: Paterson S. , Thompson S. A. , Gracie J. , Wark A. W. , de la Rica R.
Published: June 2016

A new method is introduced for self-assembling citrate-capped gold nanoparticles into supraparticles with crystallographically aligned building blocks.
Solvatochromic fluorene-linked nucleoside and DNA as color-changing fluorescent probes for sensing interactions
Authors: Dziuba Dmytro , Pospíšil Petr , Matyašovský Ján , Brynda Jiří , Nachtigallová Dana , Rulíšek Lubomír , Pohl Radek , Hof Martin , Hocek Michal
Published: June 2016

Color-changing fluorescent nucleotide and oligonucleotide probes for studying interactions with other biomolecules were designed and prepared, and perform better than currently known environment-sensitive fluorophores.
Three-dimensional homo-nanostructured MnO2/nanographene membranes on a macroporous electrically conductive network for high performance supercapacitors
Authors: Wu Dajun , Xu Shaohui , Zhang Chi , Zhu Yiping , Xiong Dayuan , Huang Rong , Qi Ruijuan , Wang Lianwei , Chu Paul K.
Published: June 2016

3D MnO2/nanographene supercapacitors with high volumetric energy densities exhibit ideal supercapacitive performance, indicating a promising future for supercapacitors.
Construction of nitrogen-doped porous carbon buildings using interconnected ultra-small carbon nanosheets for ultra-high rate supercapacitors
Authors: Jiang Lili , Sheng Lizhi , Chen Xu , Wei Tong , Fan Zhuangjun
Published: June 2016

A nitrogen-doped porous carbon building (N-PCB) was constructed using interconnected ultra-small carbon nanosheets through the carbonization of biomass (Auricularia).
Physical aging in glassy mixed matrix membranes; tuning particle interaction for mechanically robust nanocomposite films
Authors: Smith Stefan J. D. , Lau Cher Hon , Mardel James I. , Kitchin Melanie , Konstas Kristina , Ladewig Bradley P. , Hill Matthew R.
Published: June 2016

Addressing the mechanical weakness and physical aging of glassy mixed matrix membranes to realise their potential for enhancing the separation performance of current membrane technologies.
Production of Ni(OH)2nanosheets by liquid phase exfoliation: from optical properties to electrochemical applications
Authors: Harvey Andrew , He Xiaoyun , Godwin Ian J. , Backes Claudia , McAteer David , Berner Nina C. , McEvoy Niall , Ferguson Auren , Shmeliov Aleksey , Lyons Michael E. G. , Nicolosi Valeria , Duesberg Georg S. , Donegan John F. , Coleman Jonathan N.
Published: June 2016

Liquid phase exfoliation can be used to convert layered crystals of nickel hydroxide into nanosheets in relatively large quantities and without the need for ion intercalation.
Metal–organic framework nanosheets for fast-response and highly sensitive luminescent sensing of Fe3+
Authors: Xu Hui , Gao Junkuo , Qian Xuefeng , Wang Jiangpeng , He Huajun , Cui Yuanjing , Yang Yu , Wang Zhiyu , Qian Guodong
Published: June 2016

The first luminescent two-dimensional MOF nanosheets NTU-9-NS Ti2(HDOBDC)2(H2DOBDC) (H2DOBDC = 2,5-dihydroxyterephthalic acid) fabricated via top-down delamination have been realized for the highly sensitive sensing of Fe3+ with a fast response.
Preparation of a two-dimensional flexible MnO2/graphene thin film and its application in a supercapacitor
Authors: Li Zhimin , An Yufeng , Hu Zhongai , An Ning , Zhang Yadi , Guo Bingshu , Zhang Ziyu , Yang Yuying , Wu Hongying
Published: June 2016

A novel two-dimensional (2D) free standing and flexible MnO2/graphene film (MGF) supercapacitor electrode is successfully fabricated by a spin-coating and hydrothermal process.
Microstructure modulation of the CH3NH3PbI3 layer in perovskite solar cells by 2-propanol pre-wetting and annealing in a spray-assisted solution process
Authors: Li Faming , Bao Chunxiong , Zhu Weidong , Lv Bihu , Tu Wenguang , Yu Tao , Yang Jie , Zhou Xiaoxin , Wang Yangrunqian , Wang Xiaoyong , Zhou Yong , Zou Zhigang
Published: June 2016

A spray assisted solution process in CH3NH3PbI3 film deposition can achieve the efficient mesoporous structured perovskite solar cells with an optimal PCE of 14.2%.
A feasible random copolymer approach for high-efficiency polymeric photovoltaic cells
Authors: Lee You-Sun , Lee Ji Young , Bang Su-Mi , Lim Bogyu , Lee Jaechol , Na Seok-In
Published: June 2016

Conjugated random copolymers with non-covalent intramolecular interaction are synthesized and used as electron-donor materials for highly efficient organic solar cells.
Synthesis, properties, and antibacterial activity of polyphosphonium semi-interpenetrating networks
Authors: Cuthbert Tyler J. , Harrison Tristan D. , Ragogna Paul J. , Gillies Elizabeth R.
Published: June 2016

Polyphosphonium semi-interpenetrating networks were prepared and studied as antibacterial surfaces to elucidate the structural aspects leading to bacterial killing.
Rapid fluorescence detection of hypoxic microenvironments by nitro-benzyl conjugated chitosan nanoparticles encapsulating hydrophobic fluorophores
Authors: Ren Long , Kim Young Joon , Park Song Yi , Lee Sein , Lee Joo-Yong , Park Chan Pil , Lim Yong Taik
Published: June 2016

Hypoxia-responsive chitosan nanoparticles synthesized by the conjugation of nitro-benzyl derivatives into chitosan polymers and the subsequent self-assembly of them with hydrophobic fluorophores, were successfully applied for the rapid determination of the hypoxic status of lung carcinoma cells (A549) within 30 min.
High-performance low-temperature magnetic refrigerants made of gadolinium-hydroxy-chloride
Authors: Wang Yanyan , Qin Lei , Zhou Guo-Jun , Ye Xinxin , He Jiaqing , Zheng Yan-Zhen
Published: June 2016

Two new gadolinium(iii)-hydroxy-chloride materials with large magnetocaloric effects were facilely synthesized by using Cl− as the template.
Role of oxygen vacancies in crystalline WO3
Authors: Wang Wennie , Janotti Anderson , Van de Walle Chris G.
Published: June 2016

We demonstrate that oxygen vacancies act as shallow donors in WO3, suggesting carriers in the conduction band (CB) mediate electrochromism.
Cytotoxic actions of 2,2-dibromo-3-nitrilopropionamide, a biocide in hydraulic fracturing fluids, on rat thymocytes
Authors: Ishikawa Mizuki , Muraguchi Ryosuke , Azuma Ayako , Nawata Shogo , Miya Mutsumi , Katsuura Tetsuya , Naito Tohru , Oyama Yasuo
Published: June 2016

2,2-Dibromo-3-nitrilopropionamide (DBNPA) is a major biocide in hydraulic fracturing fluids.
Modifications of H3K9me2, H3K36me3 and H4K20me2 may be involved in arsenic-induced genetic damage
Authors: Li Jun , Ma Lu , Wang Xilan , Li Daochuan , Zeng Qibing , Xing Xiumei , Li Chenggui , Xie Lang , Chen Li , Chen Wen , Zhang Aihua
Published: June 2016

The study hypothesised that arsenic may inhibit the modification level of H4K20me2 and H3K9me2, and increase the modification of H3K36me3, involved in the repair of DNA damage induced by arsenic.
Opportunistic scheduling for a two‐way relay network using Markov decision process
Authors: Meshgi Hadi , Zhao Dongmei
Published: June 2016

In this study, the authors study transmission scheduling for a two‐way relay network in time‐varying fading channels, where the relay node can opportunistically use traditional one‐way relay technique or network coding to forward traffic to the end nodes. They formulate a stochastic dynamic programme with the objective of minimising the long‐run cost, defined as a function of both the transmission power and data transmission delay. An unconstrained Markov decision process model is developed and solved for the average and discounted cost problems. The optimal solution requires high computational and modelling complexity when the state space is large. For this reason, they develop heuristic solutions with lower complexity. For the discounted cost problem, a simulation‐based dynamic programming algorithm is proposed that not only simplifies the modelling process and reduces the computational complexity, but also achieves close‐to‐optimum cost. For the average cost problem, a heuristic scheduling scheme is proposed, which makes transmission decisions based on estimated costs in the current and next time slots. The heuristic scheme achieves close‐to‐optimum cost performance while greatly reducing the computational complexity.
Robust power allocation for orthogonal frequency division multiplexing‐based overlay/underlay cognitive radio network under spectrum sensing errors and channel uncertainties
Authors: Zhu Ling , Zhao Xiaohui
Published: June 2016

In this study, a robust power allocation scheme with orthogonal frequency division multiplexing‐based cognitive radio network is proposed to maximise total data transmission rate subject to interference power constraint of primary user (PU) and transmit power budget constraint of secondary user where channel uncertainties and spectrum sensing errors are simultaneously considered. The authors first formulate the interference model by taking the imperfect spectrum sensing into account, then the channel state information errors are considered and assumed to be bounded with ellipsoidal and interval sets to establish robust resource allocation problem. On the basis of the worst‐case approach and Lagrange dual decomposition method, the original optimisation problem is converted into a convex one and solved. Simulation results show the robustness of their proposed scheme and the trade‐off performance with a sub‐optimal data transmission rate, but better protection of PU.
Limit preserving equivalent method of interconnected power systems based on transfer capability consistency
Authors: Yu Juan , Liu Juelin , Li Wenyuan , Xu Ruilin , Yan Wei , Zhao Xia
Published: June 2016

A limit preserving equivalent method of interconnected power systems is proposed. Based on the equivalent network keeping the consistency of power flows and sensitivities, the equivalent active power constraints are derived under the condition of retaining the consistency of transfer capabilities before and after equivalence. The transfer capabilities are obtained by an optimisation model in which various limits of original external network are included. Based on the limit preserving equivalent network, an equivalent optimal power flow (EOPF) model for interconnected power systems is presented, which can effectively maintain both sensitivity and limit information of the external network. The accuracy and effectiveness of the proposed equivalent method and EOPF model are demonstrated using the IEEE 39‐bus system and an actual 661‐bus system.
Risk‐constrained multi‐level framework for coordination of generation and transmission expansion planning in liberalised environments – part II: method and case studies
Authors: Shivaie Mojtaba , Ameli Mohammad T.
Published: June 2016

This paper presents a new hybrid method for solving the proposed multi‐level optimisation problem, as described in Part I. The hybrid method employs a novel two‐stage multi‐dimensional melody search algorithm (MSA) with an innovative alternative improvisation procedure (AIP). This hybrid method handles the different levels of the proposed multi‐level framework. The two‐stage multi‐dimensional MSA is a recently developed optimisation algorithm, which is derived from the harmony search algorithm (HSA). Unlike the HSA, the MSA uses different player memories and a group improvisation procedure for finding the best substitution of pitches within a melody. These two features can enhance the performance of the MSA in comparison with the HSA. In addition, to improve the efficiency of the proposed MSA, an innovative improvisation scheme based on the AIP is used for generating new melodies. The proposed methodology has been applied on the 46‐bus south Brazilian electric power grid and the IEEE 118‐bus test system under two different scenarios in order to demonstrate the feasibility and capabilities of the newly developed framework. The obtained results from case studies validate sufficiency and profitableness of the offered multi‐level framework.
Dual‐band filtering power divider with capacitor‐loaded centrally coupled‐line resonators
Authors: Lu Yunlong , Dai Gaole , Wang Yi , Liu Taijun , Huang Jifu
Published: June 2016

In this study, a dual‐band filtering power divider with capacitor‐loaded centrally coupled‐line resonators (CLCCLRs) is presented. The proposed design utilises four CLCCLRs, two resistors and one inductor to achieve the dual functions of dual‐band filtering and power division. By altering the values of the capacitors loaded at the ends of the coupled lines, the centre frequencies of the two passbands can be adjusted independently. It is noted that changing one passband will not affect the other. For demonstration, a microstrip filtering power divider is designed, fabricated and measured. Under different values of the loaded capacitors, experimental results show that the lower band centre frequency varies from 0.7 to 1.0 GHz with the upper band fixed at 1.75 GHz, whereas the upper band centre frequency varies from 1.65 to 1.95 GHz when the lower band is fixed at 1.0 GHz. The measured results show good agreement with the simulations.
Micro‐Doppler‐based in‐home aided and unaided walking recognition with multiple radar and sonar systems
Authors: Gurbuz Sevgi Zubeyde , Clemente Carmine , Balleri Alessio , Soraghan John J.
Published: June 2016

The potential for using micro‐Doppler signatures as a basis for distinguishing between aided and unaided gaits is considered in this study for the purpose of characterising normal elderly gait and assessment of patient recovery. In particular, five different classes of mobility are considered: normal unaided walking, walking with a limp, walking using a cane or tripod, walking with a walker, and using a wheelchair. This presents a challenging classification problem as the differences in micro‐Doppler for these activities can be quite slight. Within this context, the performance of four different radar and sonar systems – a 40 kHz sonar, a 5.8 GHz wireless pulsed Doppler radar mote, a 10 GHz X‐band continuous wave (CW) radar, and a 24 GHz CW radar – is evaluated using a broad range of features. Performance improvements using feature selection is addressed as well as the impact on performance of sensor placement and potential occlusion due to household objects. Results show that nearly 80% correct classification can be achieved with 10 s observations from the 24 GHz CW radar, whereas 86% performance can be achieved with 5 s observations of sonar.
Temperature effect on morphology and electrochemical properties of nanostructured ZnO as anode for lithium ion batteries
Authors: Zhang Lifeng , He Wenjie , Liu Yi , Zheng Peng , Yuan Xiaoyan , Guo Shouwu
Published: June 2016

Nanostructured zinc oxide (ZnO) with different morphology has been synthesised by a facile hydrothermal method combining calcination procedure at different temperatures. The effect of calcination temperature on the morphology and electrochemical properties of as‐synthesised ZnO is investigated. X‐ray diffraction, scanning electron microscopy and transmission electron microscopy were applied to characterise the phase composition and microstructure of the synthesised samples. The electrochemical tests of as‐synthesised ZnO as an anode material for lithium ion batteries (LIBs) reveal that ZnO nanoparticles prepared at 700°C deliver the largest capacity of 1815.8 mAh g−1, while cabbage‐like ZnO nanosheets prepared at lower temperatures display better cycling stability. It is believed that the diverse morphologies of nanostructured ZnO crucially affect their electrochemical properties as an anode material for LIBs.
Orthogonally Reacting Boron Coupling Reagents: A Novel Multicomponent-Multicatalytic Reaction [(MC)2R] of Dichlorovinylpyrazine
Authors: Rebelo Jordan , Kress Steffen , Friedman Adam , Lautens Mark
Published: June 2016

The results presented herein illustrate the feasibility of two orthogonally reacting boron coupling reagents as a new control strategy in multicomponent-multicatalytic reaction [(MC)2R] chemistry. A process employing dichlorovinylpyrazine merging the rhodium-catalyzed hydroarylation with the Suzuki coupling has been discovered. Three new bonds are formed in a one-pot, one-step process efficiently providing highly substituted diaza-dihydrodibenzoxepine products.
Density-wave-modulated crystallization in nanoscale silicon films and droplets
Authors: Lü Yongjun , Bi Qingling , Yan Xinqing
Published: June 2016

Free surfaces have been known to significantly influence the crystallization of tetrahedral liquids. However, a comprehensive understanding of the influence mechanism is still lacking at present. By employing molecular dynamics simulations, we find that the nucleation probability in nanoscale silicon films and droplets exhibits a ripple-like distribution spatially. This phenomenon is closely related to the structural order wave, which is induced by the density fluctuations arisen from the volume expansion in a confinement environment defined by free surfaces. By the aid of the intrinsic relation between the tetrahedral order and the density, the analytic results based on the density wave equation well account for the nucleation probability distributions in both films and droplets. Our findings reveal the underlying mechanism of the surface-assisted nucleation in tetrahedral liquids and provide an overall description of crystallization in liquid films and droplets.
Paper-based diagnostic devices for clinical paraquat poisoning diagnosis
Authors: Kuan Chen-Meng , Lin Szu-Ting , Yen Tzung-Hai , Wang Yu-Lin , Cheng Chao-Min
Published: June 2016

This article unveils the development of a paper-based analytical device designed to rapidly detect and clinically diagnose paraquat (PQ) poisoning. Using wax printing technology, we fabricated a PQ detection device by pattering hydrophobic boundaries on paper. This PQ detection device employs a colorimetric sodium dithionite assay or an ascorbic acid assay to indicate the PQ level in a buffer system or in a human serum system in 10 min. In this test, colorimetric changes, blue in color, were observable with the naked eye. By curve fitting models of sodium dithionite and ascorbic acid assays in normal human serum, we evaluated serum PQ levels for five PQ-poisoned patients before hemoperfusion (HP) treatment and one PQ-poisoned patient after HP treatment. As evidenced by similar detection outcomes, the analytical performance of our device can compete with that of the highest clinical standard, i.e., spectrophotometry, with less complicated sample preparation and with more rapid results. Accordingly, we believe that our rapid PQ detection can benefit physicians determining timely treatment strategies for PQ-poisoned patients once they are taken to hospitals, and that this approach will increase survival rates.
Effect of drop size on the impact thermodynamics for supercooled large droplet in aircraft icing
Authors: Zhang Chen , Liu Hong
Published: June 2016

Supercooled large droplet (SLD), which can cause abnormal icing, is a well-known issue in aerospace engineering. Although efforts have been exerted to understand large droplet impact dynamics and the supercooled feature in the film/substrate interface, respectively, the thermodynamic effect during the SLD impact process has not received sufficient attention. This work conducts experimental studies to determine the effects of drop size on the thermodynamics for supercooled large droplet impingement. Through phenomenological reproduction, the rapid-freezing characteristics are observed in diameters of 400, 800, and 1300 μm. The experimental analysis provides information on the maximum spreading rate and the shrinkage rate of the drop, the supercooled diffusive rate, and the freezing time. A physical explanation of this unsteady heat transfer process is proposed theoretically, which indicates that the drop size is a critical factor influencing the supercooled heat exchange and effective heat transfer duration between the film/substrate interface. On the basis of the present experimental data and theoretical analysis, an impinging heating model is developed and applied to typical SLD cases. The model behaves as anticipated, which underlines the wide applicability to SLD icing problems in related fields.
Development of a suspension type sliding planar motion table using magnetic fluid lubrication
Authors: Li Xinghui , Shinshi Tadahiko , Hijikata Wataru , Morimoto Yoshihiro
Published: June 2016

A sliding planar motion table system that can be used for the lens driving actuator of a laser cutting machine was developed. The system uses magnetic fluid as the lubricant to avoid the leakage of lubricating oil under the table and reduce environmental pollution. The motion table is suspended from the guide surface by an attractive force generated by electromagnets to reduce the contact and frictional forces between the table and the guide surface. The table is capable of movement in one rotational and two translational directions over the guide surface using six electromagnets and three non-contact displacement sensors. Experimental results showed that the magnetic suspension of the table reduced the friction by 82.1% compared to the friction that would otherwise be generated by the dead weight of the table. Circular motion within a diameter of 2 mm was achieved with resolutions of 5 μm and 20 μrad in the translational and rotational directions, respectively. A bandwidth of higher than 100 Hz was also achieved in the three movement directions.
The role of fluid dynamics on compressed/expanded surfactant monolayers
Authors: Higuera Maria , Perales Jose M. , Vega Jose M.
Published: June 2016

A typical experiment to measure monolayer surface rheological properties consists of two parallel, slightly immersed, moving solid barriers that compress and expand a shallow liquid layer that contains the surfactant monolayer in its free surface. The area between the barriers controls the surfactant concentration, which is frequently assumed as spatially constant. In order to minimize the fluid dynamics and other non-equilibrium effects, the barriers motion is very slow. Nevertheless, the surfactant concentration dynamics exhibit some unexpected features such as irreversibility, suggesting that the motion is not slow enough. We present a long wave theory that takes into account the fluid dynamics in the bulk phase coupled to the free surface elevation. In addition, apparent irreversibility is also discussed that may result from artifacts associated with the menisci dynamics when surface tension is measured using a Wilhelmy plate. Instead, additional, purely chemical, non-equilibrium effects are ignored. Results from this theory are discussed for varying values of the parameters, which permit establishing specific predictions on experiments. On the other hand, these results compare fairly well with the available experimental observations, at least qualitatively. The overall conclusion is that the fluid dynamics should not be ignored in the analysis of these experimental devices.
A thermodynamic study of shear banding in polymer solutions
Authors: Hooshyar Soroush , Germann Natalie
Published: June 2016

Although shear banding is a ubiquitous phenomenon observed in soft materials, the mechanisms that give rise to shear-band formation are not always the same. In this work, we develop a new two-fluid model for semi-dilute entangled polymer solutions using the generalized bracket approach of nonequilibrium thermodynamics. The model is based on the hypothesis that the direct coupling between polymer stress and concentration is the driving mechanism of steady shear-band formation. To obtain smooth banded profiles in the two-fluid framework, a new stress-diffusive term is added to the time evolution equation for the conformation tensor. The advantage of the new model is that the differential velocity is treated as a state variable. This allows a straightforward implementation of the additional boundary conditions arising from the derivative diffusive terms with respect to this new state variable. To capture the overshoot of the shear stress during the start of a simple shear flow, we utilize a nonlinear Giesekus relaxation. Moreover, we include an additional relaxation term that resembles the term used in the Rouse linear entangled polymer model to account for convective constraint release and chain stretch to generate the upturn of the flow curve at large shear rates. Numerical calculations performed for cylindrical Couette flow confirm the independency of the solution from the deformation history and initial conditions. Furthermore, we find that stress-induced migration is the responsible diffusive term for steady-state shear banding. Because of its simplicity, the new model is an ideal candidate for the use in the simulation of more complex flows.
Theoretical study on the cooperative exciton dissociation process based on dimensional and hot charge-transfer state effects in an organic photocell
Authors: Shimazaki Tomomi , Nakajima Takahito
Published: June 2016

This paper discusses the exciton dissociation process at the donor–acceptor interface in organic photocells. In our previous study, we introduced a local temperature to handle the hot charge-transfer (CT) state and calculated the exciton dissociation probability based on the 1D organic semiconductor model [T. Shimazaki and T. Nakajima, Phys. Chem. Chem. Phys. 17, 12538 (2015)]. Although the hot CT state plays an essential role in exciton dissociations, the probabilities calculated are not high enough to efficiently separate bound electron–hole pairs. This paper focuses on the dimensional (entropy) effect together with the hot CT state effect and shows that cooperative behavior between both effects can improve the exciton dissociation process. In addition, we discuss cooperative effects with site-disorders and external-electric-fields.
Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111)
Authors: Xin Hongliang , Linic Suljo
Published: June 2016

Many commercial heterogeneous catalysts are complex structures that contain metal active sites promoted by multiple additives. Developing fundamental understanding about the impact of these perturbations on the local surface reactivity is crucial for catalyst development and optimization. In this contribution, we develop a general framework for identifying underlying mechanisms that control the changes in the surface reactivity of a metal site (more specifically the adsorbate-surface interactions) upon a perturbation in the local environment. This framework allows us to interpret fairly complex interactions on metal surfaces in terms of specific, physically transparent contributions that can be evaluated independently of each other. We use Cs-promoted dissociation of O2 as an example to illustrate our approach. We concluded that the Cs adsorbate affects the outcome of the chemical reaction through a strong alkali-induced electric field interacting with the static dipole moment of the O2/Ag(111) system.
Universal scaling in the aging of the strong glass former SiO2
Authors: Vollmayr-Lee Katharina , Gorman Christopher H. , Castillo Horacio E.
Published: June 2016

We show that the aging dynamics of a strong glass former displays a strikingly simple scaling behavior, connecting the average dynamics with its fluctuations, namely, the dynamical heterogeneities. We perform molecular dynamics simulations of SiO2 with van Beest-Kramer-van Santen interactions, quenching the system from high to low temperature, and study the evolution of the system as a function of the waiting time tw measured from the instant of the quench. We find that both the aging behavior of the dynamic susceptibility χ4 and the aging behavior of the probability distribution P(fs,r) of the local incoherent intermediate scattering function fs,r can be described by simple scaling forms in terms of the global incoherent intermediate scattering function C. The scaling forms are the same that have been found to describe the aging of several fragile glass formers and that, in the case of P(fs,r), have been also predicted theoretically. A thorough study of the length scales involved highlights the importance of intermediate length scales. We also analyze directly the scaling dependence on particle type and on wavevector q and find that both the average and the fluctuations of the slow aging dynamics are controlled by a unique aging clock, which is not only independent of the wavevector q, but is also the same for O and Si atoms.
Direct optical transitions at K- and H-point of Brillouin zone in bulk MoS2, MoSe2, WS2, and WSe2
Authors: Kopaczek J. , Polak M. P. , Scharoch P. , Wu K. , Chen B. , Tongay S. , Kudrawiec R.
Published: June 2016

Modulated reflectance (contactless electroreflectance (CER), photoreflectance (PR), and piezoreflectance (PzR)) has been applied to study direct optical transitions in bulk MoS2, MoSe2, WS2, and WSe2. In order to interpret optical transitions observed in CER, PR, and PzR spectra, the electronic band structure for the four crystals has been calculated from the first principles within the density functional theory for various points of Brillouin zone including K and H points. It is clearly shown that the electronic band structure at H point of Brillouin zone is very symmetric and similar to the electronic band structure at K point, and therefore, direct optical transitions at H point should be expected in modulated reflectance spectra besides the direct optical transitions at the K point of Brillouin zone. This prediction is confirmed by experimental studies of the electronic band structure of MoS2, MoSe2, WS2, and WSe2 crystals by CER, PR, and PzR spectroscopy, i.e., techniques which are very sensitive to critical points of Brillouin zone. For the four crystals besides the A transition at K point, an AH transition at H point has been observed in CER, PR, and PzR spectra a few tens of meV above the A transition. The spectral difference between A and AH transition has been found to be in a very good agreement with theoretical predictions. The second transition at the H point of Brillouin zone (BH transition) overlaps spectrally with the B transition at K point because of small energy differences in the valence (conduction) band positions at H and K points. Therefore, an extra resonance which could be related to the BH transition is not resolved in modulated reflectance spectra at room temperature for the four crystals.
Research Update: Oxide thermoelectrics: Beyond the conventional design rules
Authors: Terasaki Ichiro
Published: June 2016

Materials’ design for high-performance thermoelectric oxides is discussed. Since chemical stability at high temperature in air is a considerable advantage in oxides, we evaluate thermoelectric power factor in the high temperature limit. We show that highly disordered materials can be good thermoelectric materials at high temperatures, and the effects of strong correlation can further enhance the figure of merit by adding thermopower arising from the spin and orbital degrees of freedom. We also discuss the Kelvin formula as a promising expression for strongly correlated materials and show that the calculation based on the Kelvin formula can be directly compared with the cross-layer thermopower of layered materials.
Local unitary equivalence of quantum states and simultaneous orthogonal equivalence
Authors: Jing Naihuan , Yang Min , Zhao Hui
Published: June 2016

The correspondence between local unitary equivalence of bipartite quantum states and simultaneous orthogonal equivalence is thoroughly investigated and strengthened. It is proved that local unitary equivalence can be studied through simultaneous similarity under projective orthogonal transformations, and four parametrization independent algorithms are proposed to judge when two density matrices on ℂd1 ⊗ ℂd2 are locally unitary equivalent in connection with trace identities, Kronecker pencils, Albert determinants and Smith normal forms.
Predictions of thermal expansion coefficients of rare-earth zirconate pyrochlores: A quasi-harmonic approximation based on stable phonon modes
Authors: Lan Guoqiang , Ouyang Bin , Xu Yushuai , Song Jun , Jiang Yong
Published: June 2016

Rare-earth (RE) pyrochlores are considered as promising candidate materials for the thermal barrier coating. In this study, we performed first-principles calculations, augmented by quasi-harmonic phonon calculations, to investigate the thermal expansion behaviors of several RE2Zr2O7 (RE = La, Nd, Sm, Gd) pyrochlores. Our findings show that RE2Zr2O7 pyrochlores exhibit low-lying optical phonon frequencies that correspond to RE-cation rattling vibrational modes. These frequencies become imaginary upon volume expansion, preventing correct determination of the free energy versus volume relation and thereby quantification of thermal expansion using QH phonon calculations. To address this challenge, we proposed a QH approximation approach based on stable phonon modes where the RE-cation rattling modes were systematically eliminated. This approach is shown to provide accurate predictions of the coefficients of thermal expansion (CTEs) of RE2Zr2O7 pyrochlores, in good agreement with experimental measurements and data from first-principles molecular dynamics simulations. In addition, we showed that the QH Debye model considerably overestimates the magnitudes and wrongly predicts the trend for the CTEs of RE2Zr2O7 pyrochlores.
Low-noise humidity controller for imaging water mediated processes in atomic force microscopy
Authors: Gaponenko I. , Gamperle L. , Herberg K. , Muller S. C. , Paruch P.
Published: June 2016

We demonstrate the construction of a novel low-noise continuous flow humidity controller and its integration with a commercial variable-temperature atomic force microscope fluid cell, allowing precise control of humidity and temperature at the sample during nanoscale measurements. Based on wet and dry gas mixing, the design allows a high mechanical stability to be achieved by means of an ultrasonic atomiser for the generation of water-saturated gas, improving upon previous bubbler-based architectures. Water content in the flow is measured both at the inflow and outflow of the fluid cell, enabling the monitoring of water condensation and icing, and allowing controlled variation of the sample temperature independently of the humidity. To benchmark the performance of the controller, the results of detailed noise studies and time-based imaging of the formation of ice layers on highly oriented pyrolytic graphite are shown.