bluuebunny/crossref_metadata_2025 huggingface dataset:
Temperature-dependent photoluminescence of cadmium-free Cu–Zn–In–S quantum dot thin films as temperature probes
Authors: Wang Lan , Kang Xiaojiao , Huang Lijian , Pan Daocheng
Published: November 2015

Cadmium-free and luminescent Cu–Zn–In–S quantum dot thin films were in situ formed by thermal decomposition of molecular-based precursors in the open air, without need of the complicated quantum dot synthesis.
Mixed-linker solid solutions of functionalized pillared-layer MOFs – adjusting structural flexibility, gas sorption, and thermal responsiveness
Authors: Schwedler Inke , Henke Sebastian , Wharmby Michael T. , Bajpe Sneha R. , Cheetham Anthony K. , Fischer Roland A.
Published: November 2015

Structural flexibility in pillared-layer metal–organic frameworks can be controlledviathe concept of mixed-linker solid solutions.
Base-stabilized silaimine and its donor-free dimer derived from the reaction of NHC-supported silylene with SiCl4
Authors: Cui Haiyan , Cui Chunming
Published: November 2015

Reaction of the N-heterocyclic carbene (NHC)-stabilized silylene ArN(SiMe3)Si(IiPr)Cl (1, Ar = 2,6-iPr2C6H3, IiPr = 1,3-diisopropyl-4,5-dimethyl-imidazol-2-ylidene) with SiCl4 resulted in the formation of three different products ArNSi(IiPr)Cl2 (2), ArN(SiMe3)SiCl3 (3) and (ArNSiCl2)2 (4) under different conditions.
Structural refinement of the RT LaOF phases by coupling powder X-Ray diffraction,19F and139La solid state NMR and DFT calculations of the NMR parameters
Authors: Dabachi Jamal , Body Monique , Dittmer Jens , Fayon Franck , Legein Christophe
Published: November 2015

The structures of the RT LaOF phases have been refined by coupling XRPD, multinuclear solid state NMR and DFT calculations.
Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation
Authors: Kohrt Sonja , Dachwitz Steffen , Daniliuc Constantin G. , Kehr Gerald , Erker Gerhard
Published: November 2015

A stable borata-alkene was prepared starting from dimethylbenzofulvene and Piers' borane [HB(C6F5)2]. It undergoes a cycloaddiiton reaction with chalcone.
Field evaluation of the effectiveness of three industrial by-products as organic amendments for phytostabilization of a Pb/Zn mine tailings
Authors: Yang Shengxiang , Cao Jianbing , Li Fengmei , Peng Xizhu , Peng Qingjing , Yang Zhihui , Chai Liyuan
Published: November 2015

Although the potential of industrial by-products as organic amendments for phytostabilization has long been recognized, most of the previous studies addressing this issue have been laboratory-based.
Modulation of hepatocarcinogenesis in N-methyl-N-nitrosourea treated Balb/c mice by mushroom extracts
Authors: Ramsaha Srishti , Neergheen-Bhujun Vidushi S. , Verma Shalini , Kumar Ashok , Bharty Rahul Kumar , Chaudhary Amit Kumar , Sharma Poornima , Singh Ranjan Kumar , Huzar Futty Beejan Priya , Kyung-Sun Kang , Bahorun Theeshan
Published: November 2015

Biochemical, haematological and biophysical data show that mushroom extracts modulate hepatocarcinogenesis in Balb/c mice.
d-Xylonic acid: a solvent and an effective biocatalyst for a three-component reaction
Authors: Ma Jiliang , Zhong Linxin , Peng Xinwen , Sun Runcang
Published: November 2015

d-Xylonic acid was used as both a biocatalyst and a solvent for a three-component reaction.
Reduction of lignin color via one-step UV irradiation
Authors: Wang Jingyu , Deng Yonghong , Qian Yong , Qiu Xueqing , Ren Yuan , Yang Dongjie
Published: November 2015

One-step irradiation in a mild solvent caused lignin to be partially depolymerized and π–π disaggregated and thus lignin was largely whitened.
Facile extraction of cellulose nanocrystals from wood using ethanol and peroxide solvothermal pretreatment followed by ultrasonic nanofibrillation
Authors: Li Yanna , Liu Yongzhuang , Chen Wenshuai , Wang Qingwen , Liu Yixing , Li Jian , Yu Haipeng
Published: November 2015

Cellulose nanocrystals (CNCs) were successfully extracted from wood flour by a two-step process that comprised ethanol and peroxide solvothermal pretreatment and an ultrasonic disintegration process.
Quantitation of the Fe spatial distribution in biological tissue by online double isotope dilution analysis with LA-ICP-MS: a strategy for estimating measurement uncertainty
Authors: Douglas David N. , O'Reilly Jennifer , O'Connor Ciaran , Sharp Barry L. , Goenaga-Infante Heidi
Published: November 2015

A strategy, systematically developed, is reported for the quantitative analysis of the Fe spatial distribution in biological tissue using laser ablation with ICP-MS and on-line double isotope dilution analysis.
Identification of potential COPD genes based on multi-omics data at the functional level
Authors: Liu Zhe , Li Wan , Lv Junjie , Xie Ruiqiang , Huang Hao , Li Yiran , He Yuehan , Jiang Jing , Chen Binbin , Guo Shanshan , Chen Lina
Published: November 2015

A novel systematic approach MMMG (Methylation–MicroRNA–MRNA–GO) to identify potential COPD genes and their classifying performance evaluation.
Antimycobacterial activity of rhodamine 3,4-HPO iron chelators against Mycobacterium avium: analysis of the contribution of functional groups and of chelator's combination with ethambutol
Authors: Moniz Tânia , Silva Daniel , Silva Tânia , Gomes Maria Salomé , Rangel Maria
Published: November 2015

ChelatorMRH7(thiourea linkage; ethyl substituents) and its co-administration with ethambutol are the best choices for a higher antimycobacterial effect.
Rational assembly of a biointerfaced core@shell nanocomplex towards selective and highly efficient synergistic photothermal/photodynamic therapy
Authors: Qin Chenchen , Fei Jinbo , Wang Anhe , Yang Yang , Li Junbai
Published: November 2015

A biointerfaced nanocomplex with well-defined core@shell nanostructures is rationally assembled for combining photothermal and photodynamic therapy in a one-time synergistic manner under NIR two-photon illumination.
Light-controlled propulsion, aggregation and separation of water-fuelled TiO2/Pt Janus submicromotors and their “on-the-fly” photocatalytic activities
Authors: Mou Fangzhi , Kong Lei , Chen Chuanrui , Chen Zhihong , Xu Leilei , Guan Jianguo
Published: November 2015

The water-fuelled TiO2/Pt Janus submicromotors under pulsed UV irradiation may aggregate and separate alternatively, performing a much higher photocatalytic activity than the aggregated counterparts due to the enhanced mass exchange with the surroundings.
Highly cross-linked Cu/a-Si core–shell nanowires for ultra-long cycle life and high rate lithium batteries
Authors: Wang Hongxiang , Song Hucheng , Lin Zixia , Jiang Xiaofan , Zhang Xiaowei , YU Linwei , XU Jun , Pan Lijia , Wang Junzhuan , Zheng Mingbo , Shi Yi , Chen Kunji
Published: November 2015

An optimal highly cross-linked composite Cu/a-Si core–shell structure design has enabled a long cycle lifetime and high rate performance for silicon-loaded lithium ion batteries.
Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones
Authors: Corr Michael J. , Cormanich Rodrigo A. , von Hahmann Cortney N. , Bühl Michael , Cordes David B. , Slawin Alexandra M. Z. , O'Hagan David
Published: November 2015

The synthesis of a series of selectively fluorinated musk lactones is reported with CF2 groups at various locations to bias conformation the ring.
Correction: The energetic viability of an unexpected skeletal rearrangement in cyclooctatin biosynthesis
Authors: Hong Young J. , Tantillo Dean J.
Published: November 2015

Correction for ‘The energetic viability of an unexpected skeletal rearrangement in cyclooctatin biosynthesis’ by Young J. Hong and Dean J. Tantillo, Org. Biomol. Chem., 2015, 13, 10273–10278.
Synthesis, properties and performance of organic polymers employed in flocculation applications
Authors: Dao Vu H. , Cameron Neil R. , Saito Kei
Published: November 2015

Recent developments on the synthesis and flocculation efficiency of several non-ionic, cationic, anionic and amphoteric polymers are presented and summarised.
The synthesis, characterization and flexible OFET application of three (Z)-1,2-bis(4-(tert-butyl)phenyl)ethane based copolymers
Authors: Huang Yuli , Huang Wei , Yang Junwei , Ma Ji , Chen Moyun , Zhu Haoyun , Wang Weizhi
Published: November 2015

Three (Z)-1,2-bis(4-(tert-butyl)phenyl)ethane based copolymers were synthesized and applied in high performance flexible OFET devices.
A surfactant-thermal method to prepare crystalline thioantimonate for high-performance lithium-ion batteries
Authors: Nie Lina , Zhang Yu , Xiong Wei-Wei , Lim Teik-Thye , Xu Rong , Yan Qingyu , Zhang Qichun
Published: November 2015

A novel crystalline thioantimonate prepared by a surfactant-thermal strategy demonstrates high performance as an anode material for Li-ion batteries.
Time-resolved SANS analysis of micelle chain exchange behavior: thermal crosslink driven by stereocomplexation of PLA–PEG–PLA micelles
Authors: Abebe Daniel G. , Liu Kwei-Yu , Mishra Sanjay R. , Wu Alex H. F. , Lamb Robert N. , Fujiwara Tomoko
Published: November 2015

A TR-SANS study has revealed the initial stage of non-equilibrium micelle chain exchange for the thermo-responsive hydrogel system by stereocomplexation.
Facile synthesis of uniform yolk–shell structured magnetic mesoporous silica as an advanced photo-Fenton-like catalyst for degrading rhodamine B
Authors: Qiu Pengpeng , Kang Kyounglim , Kim Kyungho , Li Wei , Cui Mingcan , Khim Jeehyeong
Published: November 2015

Uniform yolk–shell structured magnetic mesoporous silica nanosphere was fabricated via an ultrasound assisted etching method and demonstrated as an efficient photo-Fenton-like catalyst.
A new and accurate expression for the radial distribution function of confined Lennard-Jones fluid in carbon nanotubes
Authors: Abbaspour Mohsen , Akbarzadeh Hamed , Abroodi Mousarreza
Published: November 2015

A new and accurate expression for the RDF of confined LJ fluid into carbon nanotubes has been obtained.
Synthesis, characterization and self-assembly behavior of zwitterionic amphiphilic triblock copolymers bearing pendant amino acid residues
Authors: Shang Xiaohong , Fan Xiaoshan , Yang Shaohui , Xie Zhengzheng , Guo Yuming , Hu Zhiguo
Published: November 2015

Zwitterionic amphiphilic triblock copolymers bearing pendant amino acid residues PAGE/cys-b-PCL-b-PEG were synthesized and characterized. The self-assembly behavior of the copolymers was studied.
A stacked Al/Ag anode for short circuit protection in ITO free top-emitting organic light-emitting diodes
Authors: Qian Min , Shi Xiao-Bo , Ma Jie , Liang Jian , Liu Yuan , Wang Zhao-Kui , Liao Liang-Sheng
Published: November 2015

The stacked Al/Ag in place of a Ag anode solves the severe short circuit issues in TEOLED on normal glass substrates.
A low-temperature sintered heterostructure solid film of coordination polymer nanoparticles: an electron-rectifier function based on partially oxidised/reduced conductor phases of Prussian blue
Authors: Ono Kenta , Ishizaki Manabu , Soma Shinobu , Kanaizuka Katsuhiko , Togashi Takanari , Kurihara Masato
Published: November 2015

Double-layer films of Prussian blue (PB) and its analogue nanoparticles act as an electron-rectifier controlled by the PB bottom layer with a 20-nm thickness.
High-performance NaA zeolite membranes supported on four-channel ceramic hollow fibers for ethanol dehydration
Authors: Liu Dezhong , Zhang Yuting , Jiang Ji , Wang Xuerui , Zhang Chun , Gu Xuehong
Published: November 2015

NaA zeolite membranes were prepared on an external surface of novel four-channel α-Al2O3 hollow fiber (4CF) supports for pervaporation dehydration of ethanol.
A time and energy conserving solution combustion synthesis of nano Li1.2Ni0.13Mn0.54Co0.13O2cathode material and its performance in Li-ion batteries
Authors: Prakasha K. R. , Prakash A. S.
Published: November 2015

Energy efficient solution combustion synthesis of lithium rich cathode material.
Improved mechanical and tribological properties of bismaleimide composites by surface-functionalized reduced graphene oxide and MoS2 coated with cyclotriphosphazene polymer
Authors: Chen Zhengyan , Yan Hongxia , Liu Tianye , Niu Song , Ma Jiayi
Published: November 2015

PZD/rGO/MoS2 hybrid nanoparticles were prepared by a one-pot noncovalent method, and then were incorporated into BMI resin as additive to fabricate PZD/rGO/MoS2/BMI composites.
Mechanical and electronic properties of 2D-phthalocyanines under external strain
Authors: Wang Yilei , Zhang Haili , Zhang Guisheng , Guo Yanfeng
Published: November 2015

External strain sparks the localization of π-electrons, leading to the increase of band gaps and effective masses in 2D-phthalocyanines.
Facile preparation of an Ag/AgVO3/BiOCl composite and its enhanced photocatalytic behavior for methylene blue degradation
Authors: Zhang Lei , Yuan Xingzhong , Wang Hou , Chen Xiaohong , Wu Zhibin , Liu Yang , Gu Shansi , Jiang Qian , Zeng Guangming
Published: November 2015

Schematic illustration of band structures and possible photocatalytic reactions of the Ag/AgVO3/BiOCl photocatalyst.
Si nanoparticles-nested inverse opal carbon supports for highly stable lithium-ion battery anodes
Authors: Gueon Donghee , Kang Da-Young , Kim Jung Sub , Kim Tae Yong , Lee Joong Kee , Moon Jun Hyuk
Published: November 2015

Inverse opal carbon was applied as a confinement matrix of Si nanoparticles for highly stable lithium-ion battery anodes.
Photoelectrochemical water splitting in an organic artificial leaf
Authors: Esiner Serkan , Willems Robin E. M. , Furlan Alice , Li Weiwei , Wienk Martijn M. , Janssen René A. J.
Published: November 2015

An organic artificial leaf that is composed of a triple junction polymer solar cell for light absorption and low-overpotential catalytic electrodes for hydrogen and oxygen evolution provides solar-to-hydrogen conversion efficiency of 4.9% using earth-abundant catalysts.
Compressible porous hybrid monoliths: preparation via a low molecular mass gelators-based gel-emulsion approach and exceptional performances
Authors: Chen Xiangli , Liu Lingling , Liu Kaiqiang , Miao Qing , Lü Yanchao , Fang Yu
Published: November 2015

Compressible porous hybrid monoliths with superior oil–water separation properties were prepared via a LMMGs-based gel-emulsion template method.
The preparation, drug loading and in vitro NIR photothermal-controlled release behavior of raspberry-like hollow polypyrrole microspheres
Authors: Wang Jie , Lin Fuxing , Chen Jinxing , Wang Mozhen , Ge Xuewu
Published: November 2015

Raspberry-like hollow polypyrrole microspheres (H-PPy), which are prepared through a templating method, exhibit promising synergistic cancer therapy effect.
Full-color tunable mechanofluorochromism and excitation-dependent emissions of single-arm extended tetraphenylethylenes
Authors: Wang Yi , Zhang Ivan , Yu Binhong , Fang Xiaofeng , Su Xing , Zhang Yu-Mo , Zhang Ting , Yang Bing , Li Minjie , Zhang Sean Xiao-An
Published: November 2015

Single-arm extended tetraphenylethylene derivatives exhibit full-color tunable mechanofluorochromism and excitation-dependent emissions.
The electronic structure of sulvanite structured semiconductors Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te): prospects for optoelectronic applications
Authors: Kehoe Aoife B. , Scanlon David O. , Watson Graeme W.
Published: November 2015

Nine sulvanite structured semiconductors, Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te), have been examined computationally to comprehensively analyse their electronic structure and assess their potential for optoelectronic applications.
Leader–following consensus for multi‐agent systems subject to actuator saturation with switching topologies and time‐varying delays
Authors: You Xiu , Hua Changchun , Peng Dan , Guan Xinping
Published: November 2015

This study studies the leader–following consensus problem for a class of multi‐agent systems with unknown non‐linear uncertainties. It is proved that the global consensus can be achieved by distributed feedback controller subject to actuator saturation for switching topologies and time‐varying delays. Sufficient conditions in terms of linear matrix inequalities are derived to ensure that all following agents could reach consensus asymptotically with a leader, which provide the allowable upper bound of communication delay. Stability analysis is mainly based on algebraic graph theory, non‐linear analysis and Barbalat's lemma. Numerical simulations are given to demonstrate the effectiveness of the main results.
Extended robust Kalman filter for attitude estimation
Authors: Inoue Roberto Santos , Terra Marco Henrique , Cerri João Paulo
Published: November 2015

In this study, the authors deal with inertial measurement units subject to uncertainties. They propose an extended robust Kalman filter (ERKF) in a predictor–corrector form to estimate a rigid body attitude. The filter is developed based on regularisation and penalisation whose approaches present the advantage of encompassing in a unified framework all state and output uncertain parameters of the system. The ERKF is tuned based on two degree of freedom which belong to a certain interval known a ‐priori, useful for online applications. The attitude estimation system proposed takes into account a rigid body model formulated in terms of quaternions. Experimental results are presented based on a comparative study among the ERKF, the standard extended Kalman filter and an ℋ∞ filter.
Turn–turn short circuit fault management in permanent magnet machines
Authors: Arumugam Puvan , Hamiti Tahar , Gerada Chris
Published: November 2015

This study presents a systematic study on turn–turn short circuit (SC) fault and ways to manage them to provide a basis for comparison of the various options available. The possible methods to reduce the likelihood of the winding SC fault and the fault mitigation techniques related to such faults are discussed. A finite‐element analysis of a surface‐mounted permanent magnet machine under application of different mitigation techniques during a turn–turn fault is presented. Both machine and drive structural adaptations for different fault mitigation techniques are addressed. Amongst the investigated fault mitigation techniques, the most promising solution is identified and validated experimentally. It is shown that the shorting terminal method adopting vertical winding arrangement is an effective method in terms of the implementation, reliability and weight.
Self‐commissioning of flux linkage curves of synchronous reluctance machines in quasi‐standstill condition
Authors: Peretti Luca , Sandulescu Paul , Zanuso Giovanni
Published: November 2015

This study presents a self‐commissioning procedure for the estimation of the flux linkage curves of synchronous reluctance machines. The procedure exploits a quasi‐standstill condition obtained by imposing fast torque oscillations. The flux linkage is calculated by means of a pure integration of the voltages and currents. With respect to the existing procedures, the proposed one tackles the problem of the limited knowledge of the core losses in the electrical machine, which is shown to induce erroneous estimation results for the case under investigation. A theoretical analysis supported by extensive laboratory measurements is shown, proving the effectiveness of the proposed approach.
Method for determining utility and consumer harmonic contributions based on complex independent component analysis
Authors: Karimzadeh Farzad , Esmaeili Saeid , Hossein Hosseinian Seyed
Published: November 2015

This study presents a new method for determining the harmonic contributions (HCs) of utility and consumer at the point of common coupling (PCC). The proposed method is based on a well‐known statistical signal processing technique, the so‐called complex independent component analysis (ICA). The complex ICA technique is applied to the harmonic voltage and current measured at the PCC to estimate the parameters of the Northon equivalent circuit model. Then, the HCs of utility and consumer are calculated through quantitative indices defined by the superposition method. The proposed method is robust against the background harmonic disturbances and works well in resonance condition. Moreover, the impact of consumer harmonic impedance is appropriately considered in calculations. The effectiveness of the proposed method is verified through the computer simulation and the real case study.
Quality metric‐based fitness function for robust watermarking optimisation with Bees algorithm
Authors: Abdelhakim Assem M. , Saleh Hassan I. , Nassar Amin M.
Published: November 2015

The design of a robust watermarking technique has been always suffering from the conflict between the watermark robustness and the quality of the watermarked image. In this study, the embedding strength parameters for per‐block image watermarking in the discrete cosine transform (DCT) domain are optimised. A fitness function is proposed to best suit the optimisation problem. The optimum solution is selected based on the quality and the robustness achieved using that solution. For a given image block, the peak‐signal‐to‐noise ratio (PSNR) is used as a quality metric to measure the imperceptibility for the watermarked block. However, the robustness cannot be measured for a single watermark bit using traditional metrics. The proposed method uses the PSNR quality metric to indicate the degree of robustness. Hence, optimum embedding in terms of quality and robustness can be achieved. To demonstrate the effectiveness of the proposed approach, a recent watermarking technique is modified, and then used as the embedding method to be optimised. The Bees algorithm is selected as the optimisation method and the proposed fitness function is applied. Experimental results show that the proposed method provides enhanced imperceptibility and robustness under different attacks.
Exercise Training Improves Whole Body Insulin Resistance via Adiponectin Receptor 1
Authors: Cho J.-K. , Kim S.-U. , Hong H.-R. , Yoon J.-H. , Kang H.-S.
Published: November 2015

Little is known regarding whether adiponectin receptors mediate high-intensity interval training (HIT)-induced improvement of insulin resistance associated with obesity. This study investigated the effect of HIT on whole body insulin resistance in high-fat diet-induced obese mice. 5-week-old male mice (N=30) were randomly assigned to standard chow (SC) (n=10) or HFD (n=20) for 23 weeks. After 15 weeks of dietary treatment, the HFD mice were further assigned to HFD (n=10) or HFD plus HIT (HFD+HIT, n=10). The HFD+HIT mice were subjected to HIT during the last 8 weeks of the 23-week HFD course. HFD resulted in whole body insulin resistance, hypoadiponectinemia, suppressed expression of adiponectin receptor 1(AdipoR1) and 2 (AdipoR2), suppressed expression of phosphorylated AMP-activated protein kinase (p-AMPK) and NAD-dependent deacetylase sirtuin-1 (SIRT1), and decreased mRNAs of peroxisome proliferator-activated receptor-α (PPARα), carnitine palmitoyltransferase I (CPT1), and acyl CoA oxidase (ACO) in skeletal muscle. In contrast, HIT alleviated whole body insulin resistance and prevented decreased levels of total adiponectin in both serum and adipose tissue. HIT also prevented the down-regulation of AdipoR1 and AMPK/SIRT1 proteins and the down-regulation of PPARα, CPT1, and ACO mRNAs. The current findings show that HIT alleviates whole body insulin resistance due to HFD-induced obesity via the AdipoR1 and AMPK/SIRT1 mediated-signaling pathway in skeletal muscle, implying the potential role of HIT to combat this metabolic condition.
Adrenal Incidentaloma and Subclinical Cushing’s Syndrome: A Longitudinal Follow-Up Study by Endoscopic Ultrasound
Authors: Collienne Maike , Timmesfeld Nina , Bergmann Simona , Goebel Joachim , Kann Peter
Published: November 2015

Purpose Adrenal incidentaloma (AI) and adrenal masses in cases of subclinical Cushing’s syndrome (SCS) initially require follow-up imaging. In this study we used endoscopic ultrasound (EUS) as a method for high-resolution imaging. The aim was to evaluate the growth rate of AI and SCS by EUS.

Materials and Methods This retrospective analysis included 93 out of 229 patients with AI or SCS who were investigated longitudinally by EUS in our university hospital between 1997 and 2013. The longitudinal follow-up required at least two investigations by EUS and evaluation of endocrine function. Plasma renin, serum aldosterone, 24 h urinary catecholamines and 2 mg dexamethasone suppression test were performed. EUS was performed at baseline and during follow-up. Each time, the maximum diameter was measured. Three groups were defined: non-functioning adenomas (NFA), non-functioning nodular hyperplasias (NFH) and SCS.

Results 86 patients had non-functioning masses [NFM] (59 NFA, 48 NFH) and 7 patients had SCS (10 masses). At baseline the mean diameter was 19.4 (± 9.3) mm (NFM) and 19.6 (± 9.2) mm (SCS). The mean follow-up period was 31.6 ± 28.7 months. The estimated mean growth rates per year were low: They were 0.35 mm/yr [NFA], 0.02 mm/yr [NFH] and 0.53 mm/yr [SCS]. Furthermore, there was no malignant progression of any mass.

Conclusion The growth rate as determined by EUS was low for all tumor entities observed in this study. There was no difference in tumor growth between the groups.
Registration of Supine MR Mammography with Breast Ultrasound for Surgical Planning of Breast Conserving Surgery: A Feasibility Study
Authors: Pickles Martin , Gibbs Peter , Hubbard Anne , Rahman Ayesha , Wieczorek Joanna , Roychaudhury Ronjabati , Bradley Caroline , Turnbull Lindsay
Published: November 2015

Purpose To report the feasibility, accuracy and initial clinical experience of the use of real-time magnetic resonance navigated ultrasound (rtMRnUS) in the surgical planning of breast-conserving surgery (BCS) via guide wire insertion.

Materials and Methods 29 participants were recruited into this prospective ethics committee approved study. The first 4 cases were utilized as a training set. Participants underwent a supine contrast-enhanced breast MR examination with external fiducials and corresponding ink marks placed on the skin of the affected breast to act as co-registration pairs. MR examinations included both functional and morphological images. A LOGIQ E9 ultrasound system (GE Healthcare, Milwaukee, WI, USA) equipped with a 6 – 15 MHz transducer was utilized for rtMRnUS. To facilitate point co-registration of the previously acquired MR dataset with the real-time ultrasound, co-registration pairs were identified on both imaging modalities. The following co-registration quality metrics were recorded: root mean square deviation (RMSD), lesion and global accuracies. Post co-registration guide wire insertion was performed.

Results Co-registration was successfully undertaken in all participants. Results from 25 participants are presented. The median (min, max) RMSD was 3.3 mm (0.6 mm, 8.8 mm). The global accuracy was assessed as very good (8), good (12), moderate (3) and poor (2) while the median (min, max) lesion accuracy was recorded at 8.9 mm (2.1 mm, 33.2 mm).

Conclusion The use of rtMRnUS to facilitate guide wire insertion is a feasible technique. Generally, very good or good global registration can be expected. Lesion accuracy results indicate that a median difference, in 3 D space, of 9 mm can be expected between imaging modalities.
3.2.2 Oxidation Other Than with Cytochrome P450s
Authors: Herter S. , Turner N. J.
Published: November 2015

The laccase- or tyrosinase-catalyzed oxidation of phenolic compounds leads to the generation of radical cations which subsequently produce quinoid derivatives. Acting as electrophilic Michael acceptors, quinones can undergo successive reactions amongst themselves yielding homomolecular products. In the presence of nucleophiles acting as coupling partners, enzymatically generated quinones undergo hetero-cross-coupling reactions to give novel hybrid molecules. In contrast to laccases, tyrosinase enzymes also catalyze the ortho-hydroxylation of monophenols, giving rise to catechols and benzo-1,2-quinones. Unspecific peroxygenases (UPOs) catalyze the hydroxylation of a broad range of C—H containing substrates, including small aromatic compounds, larger polycyclic aromatic hydrocarbons, heteroaromatics, alkanes, and cycloalkanes. A common feature of UPOs and chloroperoxidases (CPOs) is found in the asymmetric epoxidation of alkenes to yield the corresponding epoxides, often with high enantiomeric excess.
3.5.2 Oxidation at Sulfur
Authors: Grogan G.
Published: November 2015

The asymmetric biocatalytic oxidation of sulfides can be performed with high enantioselectivity by a number of different enzymes, allowing access to biologically active compounds including flavors and pharmaceuticals, and also chiral auxiliaries for organic synthesis. The application of biocatalysts in asymmetric sulfoxidation has benefited recently from advances in molecular biology that allow the study and application of individual enzymes, either purified or expressed in recombinant strains of E. coli. In this chapter, the major contemporary approaches to biocatalytic sulfoxidation, including enzymes such as peroxidases, flavin-dependent monooxygenases, and dioxygenases, are reviewed. In addition, the most user-friendly examples of enzyme-catalyzed sulfoxidation are illustrated using practical exemplar procedures from the relevant literature.
3.8.2 Merging of Metal, Organic, and Enzyme Catalysis
Authors: Gröger H. , Hummel W.
Published: November 2015

This chapter reviews multistep, one-pot processes through a combination of the catalytic disciplines of enzyme catalysis and chemocatalysis (metal catalysis, organocatalysis), demonstrating that enzymes as catalysts can be compatible with a broad range of man-made chemocatalysts, spanning the range from heterogeneous to homogeneous catalysts and metal catalysts to organocatalysts. Such chemoenzymatic one-pot syntheses, which combine reactions without the need to work-up intermediates, are attractive, for example, with respect to both process efficiency and sustainability.
The demographic transition and economic growth: implications for development policy
Authors: Ranganathan Shyam , Swain Ranjula Bali , Sumpter David JT
Published: November 2015

An important transition in the economic history of countries occurs when they move from a regime of low prosperity, high child mortality and high fertility to a state of high prosperity, low child mortality and low fertility. Researchers have proposed various theories to explain this demographic transition and its relation to economic growth. In this article, we test the validity of some of these theories by fitting a non-linear dynamic model for the available cross-country data. Our approach fills the gap between the micro-level models that discuss causative mechanisms but do not consider if alternative models may fit the data well, and models from growth econometrics that show the impact of different factors on economic growth but do not include non-linearities and complex interactions. In our model, mortality and fertility decline and economic growth are endogenized by considering a simultaneous system of equations in the change variables. The model shows that the transition is best described in terms of a development cycle involving child mortality, fertility and GDP per capita. Fertility rate decreases when child mortality is low, and is weakly dependent on GDP. As fertility rates fall, GDP increases, and as GDP increases, child mortality falls. We further test the hypothesis that female education drives down fertility rates rather than child mortality, but find only weak evidence for it. The Bayesian methodology we use ensures robust models and we identify non-linear interactions between indicators to capture real-world non-linearities. Hence, our models can be used in policymaking to predict short-term evolutions in the indicator variables. We also discuss how our approach can be used to evaluate policy initiatives such as the Millennium Development Goals or the Sustainable Development Goals and set more accurate, country-specific development targets.
Archaeological destruction
Authors: Loosley Emma
Published: November 2015

With the growth of the so-called Islamic State in Syria and Iraq, the world is being forced to contemplate if there is any way we can ever comprehensively prevent cultural heritage of international significance falling into the hands of terrorists. The international community also has to consider the uncomfortable truth that how we handle the current crisis will send a clear message to the next group of extremists: Will the message be one of strength or impotence?
Ab initio theory for femtosecond spin dynamics, angle-resolved fidelity analysis, and the magneto-optical Kerr effect in the Ni3(CH3OH) and Co3+(CH3OH) clusters
Authors: Chaudhuri D. , Jin W. , Lefkidis G. , Hübner W.
Published: November 2015

We present a systematic analysis of the ab initio controlled femtosecond spin dynamics in Ni3(CH3OH) and Co3+(CH3OH) clusters achieved by a spin-orbit-coupling enabled Λ process. The distortion caused by the attachment of CH3OH to one of the active magnetic centers of the Ni3 and the Co3+ clusters induces asymmetric geometries which result in well localized spin densities on the magnetic centers. With the use of high-level quantum chemistry methods, successful spin-flip scenarios are demonstrated for both clusters. In order to assess the experimental accessibility of those effects, we compute their tolerance with respect to two laser pulse parameters, i.e., the energy detuning as well as the deviation of the polar angle ϕ from its optimized value. Finally, we calculate the magneto-optical Kerr effect in order to connect to the susceptibility tensor χ as an experimentally measurable quantity.
Electromagnetic analysis of the plasma chamber of an ECR-based charge breeder
Authors: Galatà A. , Patti G. , Celona L. , Mascali D. , Neri L. , Torrisi G.
Published: November 2015

The optimization of the efficiency of an ECR-based charge breeder is a twofold task: efforts must be paid to maximize the capture of the injected 1+ ions by the confined plasma and to produce high charge states to allow post-acceleration at high energies. Both tasks must be faced by studying in detail the electrons heating dynamics, influenced by the microwave-to-plasma coupling mechanism. Numerical simulations are a powerful tools for obtaining quantitative information about the wave-to-plasma interaction process: this paper presents a numerical study of the microwaves propagation and absorption inside the plasma chamber of the PHOENIX charge breeder, which the selective production of exotic species project, under construction at Legnaro National Laboratories, will adopt as charge breeder. Calculations were carried out with a commercial 3D FEM solver: first, all the resonant frequencies were determined by considering a simplified plasma chamber; then, the realistic geometry was taken into account, including a cold plasma model of increasing complexity. The results gave important information about the power absorption and losses and will allow the improvement of the plasma model to be used in a refined step of calculation reproducing the breeding process itself.
Azimuthal inhomogeneity of turbulence structure and its impact on intermittent particle transport in linear magnetized plasmas
Authors: Kobayashi T. , Inagaki S. , Sasaki M. , Kosuga Y. , Arakawa H. , Yamada T. , Nagashima Y. , Miwa Y. , Kasuya N. , Fujisawa A. , Itoh S.-I. , Itoh K.
Published: November 2015

Fluctuation component in the turbulence regime is found to be azimuthally localized at a phase of the global coherent modes in a linear magnetized plasma PANTA. Spatial distribution of squared bicoherence is given in the azimuthal cross section as an indicator of nonlinear energy transfer function from the global coherent mode to the turbulence. Squared bicoherence is strong at a phase where the turbulence amplitude is large. As a result of the turbulence localization, time evolution of radial particle flux becomes bursty. Statistical features such as skewness and kurtosis are strongly modified by the localized turbulence component, although contribution to mean particle flux profile is small.
Computational study on the behaviors of granular materials under mechanical cycling
Authors: Wang Xiaoliang , Ye Minyou , Chen Hongli
Published: November 2015

Considering that fusion pebble beds are probably subjected to the cyclic compression excitation in their future applications, we presented a computational study to report the effect of mechanical cycling on the behaviors of granular matter. The correctness of our numerical experiments was confirmed by a comparison with the effective medium theory. Under the cyclic loads, the fast granular compaction was observed to evolve in a stretched exponential law. Besides, the increasing stiffening in packing structure, especially the decreasing moduli pressure dependence due to granular consolidation, was also observed. For the force chains inside the pebble beds, both the internal force distribution and the spatial distribution of force chains would become increasingly uniform as the external force perturbation proceeded and therefore produced the stress relief on grains. In this case, the originally proposed 3-parameter Mueth function was found to fail to describe the internal force distribution. Thereby, its improved functional form with 4 parameters was proposed here and proved to better fit the data. These findings will provide more detailed information on the pebble beds for the relevant fusion design and analysis.
Multiagent structures in hybrid renewable power system: A review
Authors: Khare A. Ranjeeta , Kumar B. Yogendra
Published: November 2015

Evolution in utility grid/electric grid from centralized control structures to decentralized control structures has been changed rapidly. Moreover this is because of increased usage of distributed renewable energy sources in utility grid. As a result this type of evolution necessitates new and advance concepts /methods in control structures of smart electric grid. Multi agent structures (MASs) are consequence of this requirement which is able to handle disturbances due to renewable energy sources, capacity to run in islanding mode, highly distributed nature of grid. Presently multi agent structures are the advancement of artificial intelligence. Agents facilitate a means to bridge the gap between humans and machines by means of interaction and intelligence. With the use of multi agent structures, optimization of control system and enhancement in reliability and intelligence may be realized. Main objective of the review is to give acquaintance of application of multiagent system in hybrid system so that in future it may form basis of multiagent system design with its pros and corns. Authors have discussed various aspects for development of multi-agent structures used in hybrid systems like system power control, optimization techniques with more emphasis on agent communication, agent platform, and MAS architecture. As agent platform and agent communication are the basis of any MAS construction. Proper selection of agent platform and agent communication decides easy and simple design of the MAS. Several aspects of MAS and its results are compared to provide global perspective of the state of the art.
Interfacial friction based quasi-continuum hydrodynamical model for nanofluidic transport of water
Authors: Bhadauria Ravi , Sanghi Tarun , Aluru N. R.
Published: November 2015

In this work, we formulate a one-dimensional isothermal hydrodynamic transport model for water, which is an extension to our recently proposed hydrodynamic model for Lennard-Jones type fluid [R. Bhadauria and N. R. Aluru, J. Chem. Phys. 139, 074109 (2013)]. Viscosity variations in confinement are incorporated by the local average density method. Dirichlet boundary conditions are provided in the form of slip velocity that depends upon the macroscopic interfacial friction coefficient. The value of this friction coefficient is computed using a novel generalized Langevin equation formulation that eliminates the use of equilibrium molecular dynamics simulation. Gravity driven flows of SPC/E water confined between graphene and silicon slit shaped nanochannels are considered as examples for low and high friction cases. The proposed model yields good quantitative agreement with the velocity profiles obtained from non-equilibrium molecular dynamics simulations.
Reducing the cost of evaluating the committor by a fitting procedure
Authors: Li Wenjin , Ma Ao
Published: November 2015

Correct identification of reaction coordinates in complex systems is essential for understanding the mechanisms of their reaction dynamics. Existing methods for identifying reaction coordinates typically require knowledge of the committor—the probability of a given configuration to reach the product basin. The high computational cost of evaluating committors has limited applications of methods for identifying reaction coordinates. We proposed a fitting procedure that can reduce the cost of evaluating committors by an order of magnitude or more. The method only requires evaluating the committors of a few configurations in a transition path by the standard and costly shooting procedure. The committors of the other configurations are then estimated with great accuracy by a sigmoid function derived from fitting the few numerically evaluated committors. The method has been systematically tested on a model system of a Brownian particle moving in a one-dimensional double-well potential, and a small biomolecular system—the isomerization of alanine dipeptide in vacuum and in explicit water.
Characterizing the complex permittivity of high-κ dielectrics using enhanced field method
Authors: Chao Hsien-Wen , Wong Wei-Syuan , Chang Tsun-Hsu
Published: November 2015

This paper proposed a method to characterize the complex permittivities of samples based on the enhancement of the electric field strength. The enhanced field method significantly improves the measuring range and accuracy of the samples’ electrical properties. Full-wave simulations reveal that the resonant frequency is closely related to the dielectric constant of the sample. In addition, the loss tangent can be determined from the measured quality factor and the just obtained dielectric constant. Materials with low dielectric constant and very low loss tangent are measured for benchmarking and the measured results agree well with previous understanding. Interestingly, materials with extremely high dielectric constants (εr > 50), such as titanium dioxide, calcium titanate, and strontium titanate, differ greatly as expected.
Dynamic nozzles for drop generators
Authors: Castrejón-Pita J. R. , Willis S. J. , Castrejón-Pita A. A.
Published: November 2015

In this paper, a novel mechanism allowing greater control over the formation of droplets is presented. This is achieved via the use of a dynamic nozzle of adjustable diameter. It is demonstrated that, by using such a nozzle, it is possible to greatly modify the formation and breakup of the ligament behind the main drop, leading to an overall reduction in the number of satellite droplets. Furthermore, by adjusting the delay between the beginning of the forming of the drop and the start of the nozzle constriction, a greater control over both the number of satellites and the size of the main drop can be achieved. It is also shown that only a minimal reduction of the nozzle’s effective diameter is required in order to exploit the positive effects of the technique presented here. This opens the possibility of incorporating the technique into current droplet generator systems, e.g., via the use of piezoelectric driven nozzles or other micro-mechanical actuation technology.
Improving the counting efficiency in time-correlated single photon counting experiments by dead-time optimization
Authors: Peronio P. , Acconcia G. , Rech I. , Ghioni M.
Published: November 2015

Time-Correlated Single Photon Counting (TCSPC) has been long recognized as the most sensitive method for fluorescence lifetime measurements, but often requiring “long” data acquisition times. This drawback is related to the limited counting capability of the TCSPC technique, due to pile-up and counting loss effects. In recent years, multi-module TCSPC systems have been introduced to overcome this issue. Splitting the light into several detectors connected to independent TCSPC modules proportionally increases the counting capability. Of course, multi-module operation also increases the system cost and can cause space and power supply problems. In this paper, we propose an alternative approach based on a new detector and processing electronics designed to reduce the overall system dead time, thus enabling efficient photon collection at high excitation rate. We present a fast active quenching circuit for single-photon avalanche diodes which features a minimum dead time of 12.4 ns. We also introduce a new Time-to-Amplitude Converter (TAC) able to attain extra-short dead time thanks to the combination of a scalable array of monolithically integrated TACs and a sequential router. The fast TAC (F-TAC) makes it possible to operate the system towards the upper limit of detector count rate capability (∼80 Mcps) with reduced pile-up losses, addressing one of the historic criticisms of TCSPC. Preliminary measurements on the F-TAC are presented and discussed.
Effect of high energy electrons on H− production and destruction in a high current DC negative ion source for cyclotron
Authors: Onai M. , Etoh H. , Aoki Y. , Shibata T. , Mattei S. , Fujita S. , Hatayama A. , Lettry J.
Published: November 2015

Recently, a filament driven multi-cusp negative ion source has been developed for proton cyclotrons in medical applications. In this study, numerical modeling of the filament arc-discharge source plasma has been done with kinetic modeling of electrons in the ion source plasmas by the multi-cusp arc-discharge code and zero dimensional rate equations for hydrogen molecules and negative ions. In this paper, main focus is placed on the effects of the arc-discharge power on the electron energy distribution function and the resultant H− production. The modelling results reasonably explains the dependence of the H− extraction current on the arc-discharge power in the experiments.
Modeling of dielectric charging in capacitive structures
Authors: Amiaud A.-C. , Leuliet A. , Loiseaux B. , Ganne J.-P. , Nagle J.
Published: November 2015

In this paper, we investigate dielectric charging process in capacitive structure dielectrics under bias voltage. We particularly focus on the case of Si3N4 dielectric layers. The main defects in silicon nitride involved in electronic transport are identified as shallow traps. A new model for dielectric charging is presented with trap assisted tunneling effect as interfacial electronic transport mechanism and Frenkel-Poole and hopping current as bulk transport mechanisms. Thanks to this model, electric field and charge carrier distribution in the dielectric layer can be calculated. The actuation bias shift versus time, which is responsible for RF capacitive structure failure, can also be determined. We find that after a 300 s actuation, the charge is concentrated in few nm in the dielectric layer and a voltage shift of few volts is calculated, depending on dielectric characteristics.