bluuebunny/crossref_metadata_2025 huggingface dataset:
Doped zirconia phase and luminescence dependence on the nature of charge compensation
Authors: Smits Krisjanis , Olsteins Dags , Zolotarjovs Aleksejs , Laganovska Katrina , Millers Donats , Ignatans Reinis , Grabis Janis
Published: March 2017

Zirconia is a relatively new material with many promising practical applications in medical imaging, biolabeling, sensors, and other fields. In this study we have investigated lanthanide and niobium doped zirconia by luminescence and XRD methods. It was proven that charge compensation in different zirconia phases determines the incorporation of intrinsic defects and activators. Thus, the structure of zirconia does not affect the Er luminescence directly; however, it strongly affects the defect distribution around lanthanide ions and the way in which activator ions are incorporated in the lattice. Our results demonstrate the correlation between the crystalline phase of zirconia and charge compensation, as well as the contribution of different nanocrystal grain sizes. In addition, our experimental results verify the theoretical studies of metastable (tetragonal, cubic) phase stabilization determined using only oxygen vacancies. Moreover, it was found that adding niobium drastically increases activator luminescence intensity, which makes Ln3+ doped zirconia even more attractive for various practical applications. Although this study was based on the luminescence of the Er ion, the phase stabilization, charge compensation, and luminescence properties described in our results are expected to be similar for other lanthanide elements. Our results suggest that the luminescence intensity of other oxide matrices where lanthanides incorporate in place of tetravalent cations could be increased by addition of Nb ions.
Restoring the impaired cardiac calcium homeostasis and cardiac function in iron overload rats by the combined deferiprone and N-acetyl cysteine
Authors: Wongjaikam Suwakon , Kumfu Sirinart , Khamseekaew Juthamas , Chattipakorn Siriporn C. , Chattipakorn Nipon
Published: March 2017

Intracellular calcium [Ca2+]idysregulation plays an important role in the pathophysiology of iron overload cardiomyopathy. Although either iron chelators or antioxidants provide cardioprotection, a comparison of the efficacy of deferoxamine (DFO), deferiprone (DFP), deferasirox (DFX), N-acetyl cysteine (NAC) or a combination of DFP plus NAC on cardiac [Ca2+]ihomeostasis in chronic iron overload has never been investigated. Male Wistar rats were fed with either a normal diet or a high iron (HFe) diet for 4 months. At 2 months, HFe rats were divided into 6 groups and treated with either a vehicle, DFO (25 mg/kg/day), DFP (75 mg/kg/day), DFX (20 mg/kg/day), NAC (100 mg/kg/day), or combined DFP plus NAC. At 4 months, the number of cardiac T-type calcium channels was increased, whereas cardiac sarcoplasmic-endoplasmic reticulum Ca2+ATPase (SERCA) was decreased, leading to cardiac iron overload and impaired cardiac [Ca2+]i homeostasis. All pharmacological interventions restored SERCA levels. Although DFO, DFP, DFX or NAC alone shared similar efficacy in improving cardiac [Ca2+]i homeostasis, only DFP + NAC restored cardiac [Ca2+]i homeostasis, leading to restoring left ventricular function in the HFe-fed rats. Thus, the combined DFP + NAC was more effective than any monotherapy in restoring cardiac [Ca2+]ihomeostasis, leading to restored myocardial contractility in iron-overloaded rats.
Patterns of Default Mode Network Deactivation in Obsessive Compulsive Disorder
Authors: Gonçalves Óscar F. , Soares José Miguel , Carvalho Sandra , Leite Jorge , Ganho-Ávila Ana , Fernandes-Gonçalves Ana , Pocinho Fernando , Carracedo Angel , Sampaio Adriana
Published: March 2017

The objective of the present study was to research the patterns of Default Mode Network (DMN) deactivation in Obsessive Compulsive Disorder (OCD) in the transition between a resting and a non-rest emotional condition. Twenty-seven participants, 15 diagnosed with OCD and 12 healthy controls (HC), underwent a functional neuroimaging paradigm in which DMN brain activation in a resting condition was contrasted with activity during a non-rest condition consisting in the presentation of emotionally pleasant and unpleasant images. Results showed that HC, when compared with OCD, had a significant deactivation in two anterior nodes of the DMN (medial frontal and superior frontal) in the non-rest pleasant stimuli condition. Additional analysis for the whole brain, contrasting the resting condition with all the non-rest conditions grouped together, showed that, compared with OCD, HC had a significantly deactivation of a widespread brain network (superior frontal, insula, middle and superior temporal, putamen, lingual, cuneus, and cerebellum). Concluding, the present study found that OCD patients had difficulties with the deactivation of DMN even when the non-rest condition includes the presentation of emotional provoking stimuli, particularly evident for images with pleasant content.
Spectrophotometric analysis at the single-cell level: elucidating dispersity within melanic immortalized cell populations
Authors: Polo-Parada Luis , Gutiérrez-Juárez Gerardo , Cywiak David , Pérez-Solano Rafael , Baker Gary A.
Published: March 2017

The widely held notion that melanin-containing cells are uniform in both size and optical characteristics is demonstrably false.
A simple modified electrode based on MIL-53(Fe) for the highly sensitive detection of hydrogen peroxide and nitrite
Authors: Cheng Dan , Li Xi , Qiu Yan , Chen Qi , Zhou Jian , Yang Yuqin , Xie Zhizhong , Liu Peng , Cai Weiquan , Zhang Chaocan
Published: March 2017

A modified matrix of an iron terephthalate metal–organic framework (MIL-53(Fe)), as a simple and efficient electroactive material for use as an electrochemical biosensor, was investigated.
A controllable water signal transistor
Authors: Wu Lili , Zhou Xiaoyan , Lu Hangjun , Liang Qing , Kou Jianlong , Wu Fengmin , Fan Jintu
Published: March 2017

We performed molecular dynamics simulations to study the regulating ability of water chains in a Y-shaped nanochannel. It was shown that a signal at the molecular level could be controlled by two other charge-induced signals when the water chains were confined in a narrow Y-shaped nanochannel.
Biocatalysis engineering: the big picture
Authors: Sheldon Roger A. , Pereira Pedro C.
Published: March 2017

In this tutorial review we describe a holistic approach to the invention, development and optimisation of biotransformations utilising isolated enzymes.
Influence of acid–base properties of Mg-based catalysts on transesterification: role of magnesium silicate hydrate formation
Authors: Cornu Damien , Lin Longfei , Daou Maya Mounir , Jaber Maguy , Krafft Jean-Marc , Herledan Virginie , Laugel Guillaume , Millot Yannick , Lauron-Pernot Hélène
Published: March 2017

Catalysts with the strongest basic properties are not always the most efficient ones for transesterification, a series of magnesium-based materials, exhibiting a large range of acido–basic properties, was investigated.
Active sites engineering leads to exceptional ORR and OER bifunctionality in P,N Co-doped graphene frameworks
Authors: Chai Guo-Liang , Qiu Kaipei , Qiao Mo , Titirici Maria-Magdalena , Shang Congxiao , Guo Zhengxiao
Published: March 2017

Highly efficient bifunctional P,N co-doped graphene framework (PNGF) with both ORR and OER activities that are superior to noble metal catalysts.
Altering the level of calcium changes the physical properties and digestibility of casein-based emulsion gels
Authors: McIntyre Irene , O′Sullivan Michael , O′Riordan Dolores
Published: March 2017

Food matrix physical properties can be modified to alter resistance to gastric degradation which may affect the kinetics of nutrient release and delivery of bioactives sensitive to the gastric environment.
Low generation PAMAM-based nanomicelles as ROS-responsive gene vectors with enhanced transfection efficacy and reduced cytotoxicity in vitro
Authors: Xu Chen-Tao , Chen Guang , Nie Xuan , Wang Long-Hai , Ding Sheng-Gang , You Ye-Zi
Published: March 2017

ROS-responsive cationic nanomicelles formed from amphiphilic PPS–SS–PAMAMG2.0 conjugates exhibit high transfection efficacy and low cytotoxicity.
Electrochemical sensor based on lead ion-imprinted polymer particles for ultra-trace determination of lead ions in different real samples
Authors: Luo Xuan , Huang Weihong , Shi Qingye , Xu Wanzhen , Luan Yu , Yang Yanfei , Wang Huajie , Yang Wenming
Published: March 2017

In this paper, a self-manufactured lead(ii)-selective electrode, which was based on the use of lead(ii) ion imprinted polymer particles (IIPs) to detect lead ions, was studied using differential pulse voltammetry.
Nanophase-separated Ni3Nb as an automobile exhaust catalyst
Authors: Tanabe Toyokazu , Imai Tsubasa , Tokunaga Tomoharu , Arai Shigeo , Yamamoto Yuta , Ueda Shigenori , Ramesh Gubbala V. , Nagao Satoshi , Hirata Hirohito , Matsumoto Shin-ichi , Fujita Takeshi , Abe Hideki
Published: March 2017

Nanophase-separated Ni3Nb alloy exhibited higher performance than traditional Pt catalysts toward the remediation of automobile exhaust.
Modification of LSCM–GDC cathodes to enhance performance for high temperature CO2 electrolysis using solid oxide electrolysis cells (SOECs)
Authors: Yue X. , Irvine J. T. S.
Published: March 2017

Extensive efforts have been made to find new fuel electrode materials for solid oxide cells with high activity and durability to provide more robust materials than state-of-the-art materials, Ni-cermets.
Promoting effects of Ce0.75Zr0.25O2 on the La0.7Sr0.3MnO3 electrocatalyst for the oxygen reduction reaction in metal–air batteries
Authors: Xue Yejian , Miao He , Li Baihai , Sun Shanshan , Wang Qin , Li Shihua , Chen Liang , Liu Zhaoping
Published: March 2017

For improving the catalytic activity of LSM perovskite catalysts, we introduce oxygen vacancies in these catalysts by compositing it with Ce0.75Zr0.25O2 (CZ) whose oxygen vacancies can be rapidly formed and eliminated. The onset potential of LSM–CZ is almost the most positive one among those of the perovskites stemmed from LaMnO3.
Choosing the right nanoparticle size – designing novel ZnO electrode architectures for efficient dye-sensitized solar cells
Authors: Pfau Markus W. , Kunzmann Andreas , Segets Doris , Peukert Wolfgang , Wallace Gordon G. , Officer David L. , Clark Tim , Costa Rubén D. , Guldi Dirk M.
Published: March 2017

A novel concept for constructing optimized ZnO-based photoanodes as integrative components of dye-sensitized solar cells (DSSCs) is realized by deploying differently sized nanoparticles ranging from 2 to 10 nm together with commercially available 20 nm nanoparticles.
Biomineralization-inspired crystallization of monodisperse α-Mn2O3 octahedra and assembly of high-capacity lithium-ion battery anodes
Authors: Henzie Joel , Etacheri Vinodkumar , Jahan Maryam , Rong Hongpan , Hong Chulgi Nathan , Pol Vilas G.
Published: March 2017

Uniform colloidal building-blocks enable the creation of more stable, structurally sophisticated materials.
One-step surface grafting of organic nanoparticles: in situ deposition of antimicrobial agents vanillin and chitosan on polyethylene packaging films
Authors: Buslovich A. , Horev B. , Rodov V. , Gedanken A. , Poverenov E.
Published: March 2017

Natural organic molecules, volatile vanillin and non-volatile chitosan, were deposited from solution onto a polyethylene surface by the ultrasonic method and demonstrate specific antimicrobial activity.
DNA damage in the elderly is associated with 5-MTHF levels: a pro-oxidant activity
Authors: Baierle Marília , Göethel Gabriela , Nascimento Sabrina N. , Charão Mariele F. , Moro Angela M. , Brucker Natália , Sauer Elisa , Gauer Bruna , Souto Caroline , Durgante Juliano , Arbo Marcelo Dutra , Garcia Solange Cristina
Published: March 2017

The aging phenomenon is associated with oxidative stress damage in biomolecules, especially DNA.
Surface plasmon resonance imaging for ABH antigen detection on red blood cells and in saliva: secretor status-related ABO subgroup identification
Authors: Peungthum Patjaree , Sudprasert Krisda , Amarit Ratthasart , Somboonkaew Armote , Sutapun Boonsong , Vongsakulyanon Apirom , Seedacoon Wuttigrai , Kitpoka Pimpun , Kunakorn Mongkol , Srikhirin Toemsak
Published: March 2017

Fewer steps for ABO subgroup identification by using the SPR imaging incorporating an antibody array was presented.
Feasible photometric measurements in liquid–liquid extraction by exploiting smartphone-based digital images
Authors: Lima Manoel J. A. , Nascimento Carina F. , Rocha Fábio R. P.
Published: March 2017

A new approach for photometric measurements in procedures involving liquid–liquid extraction is proposed.
Sensitive magnetic dispersive solid-phase extraction using hydrophobic magnetic nanoparticles and GC-MS analysis for the determination of sterol composition in milk samples for the detection of palm oil
Authors: Bigdelifam Davood , Hashemi Mahdi , Zohrabi Parvin , Sadeghpour Mahdiyeh , Radaee Ehsan
Published: March 2017

Magnetic dispersive solid phase extraction with modified magnetic nanoparticles has been developed for the detection of palm oil in milk samples.
Bioresorbable polypeptide-based comb-polymers efficiently improves the stability and pharmacokinetics of proteins in vivo
Authors: Turabee Md. Hasan , Thambi Thavasyappan , Lym Jae Seung , Lee Doo Sung
Published: March 2017

Polypeptide-based comb-like amphiphilic copolymers that exhibits sol-to-gel phase transitions in response to physiological pH and temperature have been developed for the sustained delivery of human growth hormone.
Designing an anion-functionalized fluorescent ionic liquid as an efficient and reversible turn-off sensor for detecting SO2
Authors: Che Siying , Dao Rina , Zhang Weidong , Lv Xiaoyu , Li Haoran , Wang Congmin
Published: March 2017

A novel anion-functionalized fluorescent ionic liquid was designed as an efficient turn-off fluorescent sensor for gaseous SO2, which exhibited high selectivity, good quantification, and excellent reversibility.
Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding S⋯O interactions
Authors: Mayo R. Alex , Sullivan David J. , Fillion Travis A. P. , Kycia Stefan W. , Soldatov Dmitriy V. , Preuss Kathryn E.
Published: March 2017

Unconventional non-covalent interactions are the key to reversible chiral resolution in polycrystalline samples of a small, achiral molecule.
Cyclic enzymatic repairing-mediated dual-signal amplification for real-time monitoring of thymine DNA glycosylase
Authors: Wang Li-Juan , Wang Zi-Yue , Zhang Qianyi , Tang Bo , Zhang Chun-Yang
Published: March 2017

We develop a new fluorescence method for real-time monitoring of thymine DNA glycosylase activity through cyclic enzymatic repairing-mediated dual-signal amplification.
A layered wide-gap oxyhalide semiconductor with an infinite ZnO2 square planar sheet: Sr2ZnO2Cl2
Authors: Su Yu , Tsujimoto Yoshihiro , Miura Akira , Asai Shinichiro , Avdeev Maxim , Ogino Hiraku , Ako Miho , Belik Alexei A. , Masuda Takatsugu , Uchikoshi Tetsuo , Yamaura Kazunari
Published: March 2017

A new layered perovskite zinc oxychloride, Sr2ZnO2Cl2, with a square planar geometry was successfully synthesized using a high pressure method.
Effects of chalcogen atom substitution on the optoelectronic and charge-transport properties in picene-type π-systems
Authors: Oyama Tatsuya , Yang Yu Seok , Matsuo Kyohei , Yasuda Takuma
Published: March 2017

π-Conjugated 3,10-dialkyl-dinaphtho[1,2-b:2′,1′-d]chalcogenophenes incorporating S, Se, and Te as the central chalcogen atom were developed, and their optoelectronic and charge-transport properties were systematically investigated.
Difluoromethylcarbene for iron-catalyzed cyclopropanation
Authors: Duan Yaya , Lin Jin-Hong , Xiao Ji-Chang , Gu Yu-Cheng
Published: March 2017

Fe-Catalyzed cyclopropanation of olefins with difluoromethylcarbene generated from sulfonium ylide Ph2S+–CH−CF2H with high diastereoselectivity is described.
Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide
Authors: Lan Youshi , Tong Minman , Yang Qingyuan , Zhong Chongli
Published: March 2017

Large-scale computational screening results show that COFs are promising materials for the capture of radioactive iodic contaminants from nuclear wastes.
Electronic structure and magnetic properties of penta-graphene nanoribbons
Authors: Yuan P. F. , Zhang Z. H. , Fan Z. Q. , Qiu M.
Published: March 2017

Calculations predict that bipolar magnetic semiconductor and half-metal behaviors can be observed in penta-graphene nanoribbons.
Dimerization and conformation-related free energy landscapes of dye-tagged amyloid-β12–28linked to FRET experiments
Authors: Kulesza Alexander , Daly Steven , Dugourd Philippe
Published: March 2017

The free energy landscapes of Aβ-peptide dimer models under different prototype conditions support the hypothesis that the gas-phase action-FRET measurement after electrospray ionization operates under non-equilibrium conditions, with a memory of the solution conditions – even for the dimer of this relatively short peptide.
Structural formation and charge storage mechanisms for intercalated two-dimensional carbides MXenes
Authors: Wen Jing , Zhang Xitian , Gao Hong
Published: March 2017

An effective procedure based on the first-principles calculations is developed to reveal the formation mechanisms of the intercalated MXenes.
Interfacially Al-doped ZnO nanowires: greatly enhanced near band edge emission through suppressed electron–phonon coupling and confined optical field
Authors: Wu Yiming , Dai Yanmeng , Jiang Shenlong , Ma Chao , Lin Yue , Du Dongxue , Wu Yukun , Ding Huaiyi , Zhang Qun , Pan Nan , Wang Xiaoping
Published: March 2017

Via an interfacial Al-doping strategy, the near band edge emission of ZnO NWs can be greatly enhanced by over 20-fold.
One-step catalytic reduction of 4-nitrophenol through the direct injection of metal salts into oxygen-depleted reactants
Authors: Menumerov Eredzhep , Hughes Robert A. , Neretina Svetlana
Published: March 2017

The one-step catalytic reduction of 4-nitrophenol using nanoparticles derived from the injection of metal salts leads to benchmark-setting turnover frequencies.
Application of the dimensional reduction formalism to Pb9−xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups
Authors: Zhang Xiangyu , Wu Hongping , Liu Qiong , Dong Xiaoyu , Chen Yunlei , Yang Zhihua , Wen Xiao-Dong , Pan Shilie
Published: March 2017

Dimensional reduction is used to design and synthesise Pb9[Li2(P2O7)2(P4O13)2] by using Li2O to dismantle Pb3P4O13.
Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L–L)M′(CO)3Cl complexes
Authors: Lunsford Allen M. , Goldstein Kristina F. , Cohan Matthew A. , Denny Jason A. , Bhuvanesh Nattamai , Ding Shengda , Hall Michael B. , Darensbourg Marcetta Y.
Published: March 2017

Electronic communication was established for a heterobimetallic complex which upon reduction at one metal center modulates ligand loss and subsequent electron uptake at the second metal.
Isolable zirconium hydride species in the reaction of amido complexes with amine–boranes
Authors: Greño Maider , Mena Miguel , Pérez-Redondo Adrián , Yélamos Carlos
Published: March 2017

Mono-, di- and trinuclear zirconium hydride species have been isolated in the reaction of half-sandwich amido complexes with amine–borane adducts.
Realizing a thermoelectric conversion efficiency of 12% in bismuth telluride/skutterudite segmented modules through full-parameter optimization and energy-loss minimized integration
Authors: Zhang Qihao , Liao Jincheng , Tang Yunshan , Gu Ming , Ming Chen , Qiu Pengfei , Bai Shengqiang , Shi Xun , Uher Ctirad , Chen Lidong
Published: March 2017

Full-parameter optimization and energy-loss minimized integration enable a record-high efficiency of 12% in a segmented power-generating module.
Challenges in the development of bio-based solvents: a case study on methyl(2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate as an alternative aprotic solvent
Authors: Jin Saimeng , Byrne Fergal , McElroy Con Robert , Sherwood James , Clark James H. , Hunt Andrew J.
Published: March 2017

Many traditional solvents have drawbacks including sustainability and toxicity issues. Legislation, such as REACH, is driving the move towards less hazardous chemicals and production processes. Therefore, safer bio-based solvents need to be developed. Herein, a 10 step method has been proposed for the development of new bio-based solvents, which utilises a combination ofin silicomodelling of Hansen solubility parameters (HSPs), experimental Kamlet–Abboud–Taft parameters, a selection of green synthetic routes followed by application testing and toxicity measurements. The challenges that the chemical industry face in the development of new bio-based solvents are highlighted through a case study on methyl(2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate (MMC), which can be synthesised from glycerol. Although MMC is an attractive candidate as a replacement solvent, simply being bio-derived is not enough for a molecule to be regarded as green. The methodology of solvent development described here is a broadly applicable protocol that will indicate if a new bio-based solvent is functionally proficient, and will also highlight the importance of early stage Kamlet–Abboud–Taft parameters determination and toxicity testing in the development of a green solvent.
Highly effective Ir-based catalysts for benzoic acid hydrogenation: experiment- and theory-guided catalyst rational design
Authors: Tang Minghui , Mao Shanjun , Li Xuefeng , Chen Chunhong , Li Mingming , Wang Yong
Published: March 2017

The combination of experiment and theory can provide guidance for the rational design of promising catalysts for benzoic acid hydrogenation.
Metal-free oxidative ring contraction of benzodiazepinones: an entry to quinoxalinones
Authors: Mtiraoui Hasan , Renault Kevin , Sanselme Morgane , Msaddek Moncef , Renard Pierre-Yves , Sabot Cyrille
Published: March 2017

Herein is reported a practical method for the construction of 3-benzoylquinoxalinones from benzodiazepinones in the presence of DMSO which serves both as a solvent and an oxidant.
Direct palladium-mediated on-resin disulfide formation from Allocam protected peptides
Authors: Kondasinghe Thilini D. , Saraha Hasina Y. , Odeesho Samantha B. , Stockdill Jennifer L.
Published: March 2017

We present a mild, convenient method for direct conversion of Allocam protected peptides to disulfide-containing protected peptides on solid support.
Reaction-based conjugated polymer fluorescent probe for mercury(ii): good sensing performance with “turn-on” signal output
Authors: Ding Jun , Li Huiyang , Xie Yujun , Peng Qian , Li Qianqian , Li Zhen
Published: March 2017

Based on a Hg2+-promoted deprotection reaction of dithioacetal, the conjugated polymer PDT showed high sensitivity with the detection limit of 1.0 × 10−6 mol L−1 and 1 × 10−5 mol L−1 in solution and as test strips, respectively.
Improving tumor chemotherapy effect using an injectable self-healing hydrogel as drug carrier
Authors: Yang Lei , Li Yongsan , Gou Yanzi , Wang Xing , Zhao Xinming , Tao Lei
Published: March 2017

A self-healing hydrogel has been used as the anti-tumor drug carrier to improve the chemotherapy effect.
Positional isomeric effects of coupling agents on the temperature-induced gelation of triblock copolymer aqueous solutions
Authors: Luan Jiabin , Cui Shuquan , Wang Juntao , Shen Wenjia , Yu Lin , Ding Jiandong
Published: March 2017

The linking angles of positional isomers in the middle of thermogelling mPEG-PLGA-mPEG polymers were found to affect their microscopic conformations and macroscopic properties.
In situ synthesis of a self-assembled AB/B blend of poly(ethylene glycol)-b-polystyrene/polystyrene by dispersion RAFT polymerization
Authors: Yuan Bing , He Xin , Qu Yaqing , Gao Chengqiang , Eiser Erika , Zhang Wangqing
Published: March 2017

A diblock-copolymer/homopolymer self-assembled blend was synthesized through dispersion RAFT polymerization, and its morphology changed with a decreasing ratio of diblock-copolymer/homopolymer.
Novel alkyl chain-based fluorescent probes with large Stokes shifts used for imaging the cell membrane and mitochondria in different living cell lines
Authors: Meng Fangfang , Liu Yong , Niu Jie , Lin Weiying
Published: March 2017

In this study, we describe two novel alkyl chains-based fluorescent probes with large Stokes shift. Both probes have been successfully applied for sensing the cell membrane and mitochondria in different living cell lines.
Hydrogen incorporation effect in phosphorus-doped p-type ZnO thin films grown by radio-frequency magnetron sputtering
Authors: Oh Min-Suk , Navamathavan R.
Published: March 2017

We report on the influence of hydrogen incorporation on the conductivity of phosphorous (P) doped ZnO thin films grown by using radio-frequency (RF) magnetron sputtering.
Semisynthesis of some matrine ether derivatives as insecticidal agents
Authors: Huang Jiu-Lin , Lv Min , Xu Hui
Published: March 2017

Compounds 4i and 4k exhibited more potent insecticidal activities than matrine against Plutella xylostella and Mythimna separata. These matrine derivatives may be considered as promising insecticidal candidates.
Bio-power performance enhancement in microbial fuel cell using Ni–ferrite decorated anode
Authors: Peng Xinhong , Chu Xizhang , Wang Shenghui , Shan Ke , Song Daiwang , Zhou Ya
Published: March 2017

Ni–ferrite-decorated anode enhanced the MPD by 26% to 806.4 mW m−2.
A 2D approach to surface-tension-confined fluidics on parylene C
Authors: Calcagnile Paola , Dattoma Tommaso , Scarpa Elisa , Qualtieri Antonio , Blasi Laura , De Vittorio Massimo , Rizzi Francesco
Published: March 2017

Parylene C-based 2D STC fluidics, where pure water and water-based solutions can flow strictly confined by differences in surface energy.
A sensitivity analysis of a numbered-up photomicroreactor system
Authors: Kuijpers Koen P. L. , van Dijk Mark A. H. , Rumeur Quentin G. , Hessel Volker , Su Yuanhai , Noël Timothy
Published: March 2017

The robustness of a numbered-up capillary photomicroreactor system was evaluated when subjected to common disturbances, such as clogging and light failure.
Electrochemical properties of stoichiometric CuS coated on carbon fiber paper and Cu foil current collectors as cathode material for lithium batteries
Authors: Kalimuldina Gulnur , Taniguchi Izumi
Published: March 2017

Reaction mechanisms of stoichiometric CuS and its improved properties were demonstrated by using a CFP interlayer to trap Li2Sx.
Percolation of a metallic binder in energy generating composites
Authors: Meeks Kelsey , Smith Dylan K. , Clark Billy , Pantoya Michelle L.
Published: March 2017

Indium is introduced as a metallic binder in energetic composites and is an approach for consolidating the media and providing a highly conductive percolating scaffold for enhancing energy transport.
Effects of a SnO2 hole blocking layer in a BiVO4-based photoanode on photoelectrocatalytic water oxidation
Authors: Byun Segi , Kim Bumsoo , Jeon Seokwoo , Shin Byungha
Published: March 2017

The Material properties of BiVO4 are modified via coupling with a SnO2 buffer layer inserted between BiVO4 and a FTO substrate.
Hydrazine-assisted formation of ultrathin MoS2 nanosheets for enhancing their co-catalytic activity in photocatalytic hydrogen evolution
Authors: Reddy D. Amaranatha , Park Hanbit , Hong Sangyeob , Kumar D. Praveen , Kim Tae Kyu
Published: March 2017

This work demonstrates a simple and effective approach using hydrazine to modulate the active sites and electrical conductivity of MoS2 with the aid of ultrasonication.
The effect of thermally induced chemical transformations on the structure and properties of carbon fibre precursors
Authors: Nunna Srinivas , Creighton Claudia , Fox Bronwyn L. , Naebe Minoo , Maghe Maxime , Tobin Mark J. , Bambery Keith , Vongsvivut Jitraporn , Hameed Nishar
Published: March 2017

This study quantitatively defines the temperature induced chemical transformations and evolution of radial heterogeneity during the stabilisation of carbon fibre precursors.
Perspectives on water-facilitated CO2capture materials
Authors: Wang Jingtao , Wang Shaofei , Xin Qingping , Li Yifan
Published: March 2017

This review firstly proposes the concept of water-facilitated CO2capture materials. The strategies of avoiding the negative effects of water and maximizing the positive effects of water are tentatively proposed.
Anti-cancer activity of camptothecin nanocrystals decorated by silver nanoparticles
Authors: Zhan Honglei , Zhou Xiaqing , Cao Yang , Jagtiani Tina , Chang Tzu-Lan , Liang Jun F.
Published: March 2017

CPT/Ag nanocrystals display extreme and broad-spectrum anti-cancer activity and high selectivity through a cooperation effect between CPT and AgNPs.
Tunable delayed controlled release profile from layered polymeric microparticles
Authors: Dutta D. , Fauer C. , Hickey K. , Salifu M. , Stabenfeldt S. E.
Published: March 2017

Solvent evaporation parameters and ethanol content during PLGA/PLLA microparticle (MP) fabrication affect protein distribution and MP structure, thereby altering the protein release profiles.
Lateral heterostructures of monolayer group-IV monochalcogenides: band alignment and electronic properties
Authors: Cheng Kai , Guo Yu , Han Nannan , Su Yan , Zhang Junfeng , Zhao Jijun
Published: March 2017

Band alignments of lateral heterostructures of group-IV monochalcogenides.
Toxicological implications of mitochondrial localization of CYP2E1
Authors: Hartman Jessica H. , Miller Grover P. , Meyer Joel N.
Published: March 2017

This review discusses links between mitochondria-localized cytochrome P450 2E1 (CYP2E1) and toxicity, particularly mitochondrial dysfunction, and poses open questions in this emerging field.
Development, In Vitro Characterization, Antitumor and Aerosol Performance Evaluation of Respirable Prepared by Self-nanoemulsification Method
Authors: Naseri Neda , Zakeri-Milani Parvin , Hamishehkar Hamed , Pilehvar-Soltanahmadi Younes , Valizadeh Hadi
Published: March 2017

Poor water solubility and low oral bioavailability limit the clinical application of Erlotinib as an anticancer. For this purpose, we encapsulated erlotinib in the solid lipid nanoparticles (SLN) and designed a spray-dried dry powder inhalable (DPI) formulation. Erlotinib-loaded SLNs were prepared using self-nanoemulsifying and characterized for physicochemical properties. Pulmonary deposition of spray-dried DPI formulation was performed using Next Generation Impactor. The particle size and zeta potential of Erlotinib-loaded SLNs were 300 to 800 nm and −18 to −32 mV, respectively. High drug entrapment efficiency in the narrow range of 80–85% was achieved. Cytotoxicity results indicated that cell growth inhibition of free drug and drug loaded nanoparticles is dose- and time-dependent. Inhalable dry powders prepared from drug-loaded SLNs were found to have a fine particle fraction in the range of 6.92±0.99 –11.24±2.4%, mean mass aerodynamic diameter in the range of 4.52±0.1 to 6.67±0.5 µm. The findings revealed that the proposed inhalable dry powder formulation loaded with erlotinib SLN has potential in lung cancer therapy through pulmonary route.
A simple ergonomic measure reduces fluoroscopy time during ERCP: A multivariate analysis
Authors: Jowhari Fahd , Hopman Wilma , Hookey Lawrence
Published: March 2017

Background and study aims Endoscopic retrograde cholangiopancreatgraphy (ERCP) carries a radiation risk to patients undergoing the procedure and the team performing it. Fluoroscopy time (FT) has been shown to have a linear relationship with radiation exposure during ERCP. Recent modifications to our ERCP suite design were felt to impact fluoroscopy time and ergonomics. This multivariate analysis was therefore undertaken to investigate these effects, and to identify and validate various clinical, procedural and ergonomic factors influencing the total fluoroscopy time during ERCP. This would better assist clinicians with predicting prolonged fluoroscopic durations and to undertake relevant precautions accordingly.

Patients and methods A retrospective analysis of 299 ERCPs performed by 4 endoscopists over an 18-month period, at a single tertiary care center was conducted. All inpatients/outpatients (121 males, 178 females) undergoing ERCP for any clinical indication from January 2012 to June 2013 in the chosen ERCP suite were included in the study. Various predetermined clinical, procedural and ergonomic factors were obtained via chart review. Univariate analyses identified factors to be included in the multivariate regression model with FT as the dependent variable.

Results Bringing the endoscopy and fluoroscopy screens next to each other was associated with a significantly lesser FT than when the screens were separated further (–1.4 min, P = 0.026). Other significant factors associated with a prolonged FT included having a prior ERCP (+ 1.4 min, P = 0.031), and more difficult procedures (+ 4.2 min for each level of difficulty, P < 0.001). ERCPs performed by high-volume endoscopists used lesser FT vs. low-volume endoscopists (–1.82, P = 0.015).

Conclusions Our study has identified and validated various factors that affect the total fluoroscopy time during ERCP. This is the first study to show that decreasing the distance between the endoscopy and fluoroscopy screens in the ERCP suite significantly reduces the total fluoroscopy time, and therefore radiation exposure to patients and staff involved in the procedure.
Correlating In Vitro Target-Oriented Screening and Docking: Inhibition of Matrix Metalloproteinases Activities by Flavonoids
Authors: Crascì Lucia , Basile Livia , Panico Annamaria , Puglia Carmelo , Bonina Francesco , Basile Pierluigi , Rizza Luisa , Guccione Salvatore
Published: March 2017

Metalloproteases are a family of zinc-containing endopeptidases involved in a variety of pathological disorders. The use of flavonoid derivatives as potential metalloprotease inhibitors has recently increased.

Particular plants growing in Sicily are an excellent yielder of the flavonoids luteolin, apigenin, and their respective glycoside derivatives (7-O-rutinoside, 7-O-glucoside, and 7-O-glucuronide).

The inhibitory activity of luteolin, apigenin, and their respective glycoside derivatives on the metalloproteases MMP-1, MMP-3, MMP-13, MMP-8, and MMP-9 was assessed and rationalized correlating in vitro target-oriented screening and in silico docking.

The flavones apigenin, luteolin, and their respective glucosides have good ability to interact with metalloproteases and can also be lead compounds for further development. Glycones are more active on MMP-1, -3, -8, and -13 than MMP-9. Collagenases MMP-1, MMP-8, and MMP-13 are inhibited by compounds having rutinoside glycones. Apigenin and luteolin are inactive on MMP-1, -3, and -8, which can be interpreted as a better selectivity for both -9 and -13 peptidases. The more active compounds are apigenin-7-O-rutinoside on MMP-1 and luteolin-7-O-rutinoside on MMP-3. The lowest IC50 values were also found for apigenin-7-O-glucuronide, apigenin-7-O-rutinoside, and luteolin-7-O-glucuronide. The glycoside moiety might allow for a better anchoring to the active site of MMP-1, -3, -8, -9, and -13. Overall, the in silico data are substantially in agreement with the in vitro ones (fluorimetric assay).
Scale-adaptive subgrid-scale modelling for large-eddy simulation of turbulent flows
Authors: Yu Changping , Xiao Zuoli , Li Xinliang
Published: March 2017

The proportionality between the subgrid-scale (SGS) drain rate of kinetic energy and the viscous dissipation rate of the resolved motions is studied a priori by filtering a given fully resolved field and evaluating a generic form of the hypothesized energy spectrum. The ratio of the SGS drain to the resolved dissipation, on which a balance condition for the SGS dissipation across an arbitrary grid scale is founded, is shown to be independent of the turbulence Reynolds number, and can be described by a function in terms of the averaged mesh Reynolds number. Such a balance condition can serve as a physical constraint in the SGS modeling to account for the scale effects of the model coefficient(s). Scale-adaptive dynamic Smagorinsky-Lilly model and mixed nonlinear model are formulated for large-eddy simulation of transitional and/or turbulent flows in such a way that the constraint is satisfied. The newly proposed scale-adaptive dynamic SGS models are validated in simulations of homogeneous isotropic turbulence and turbulent channel flow, and prove to be superior over traditional dynamic SGS models.
Exact exchange with non-orthogonal generalized Wannier functions
Authors: Mountjoy Jeff , Todd Michelle , Mosey Nicholas J.
Published: March 2017

The evaluation of exact exchange (EXX) is an important component of quantum chemical calculations performed with ab initio and hybrid density functional methods. While evaluating exact exchange is routine in molecular quantum chemical calculations performed with localized basis sets, the non-local nature of the exchange operator presents a major impediment to the efficient use of exact exchange in calculations that employ planewave basis sets. Non-orthogonal generalized Wannier functions (NGWFs) corresponding to planewave expansions of localized basis functions are an alternative form of basis set that can be used in quantum chemical calculations. The periodic nature of these functions renders them suitable for calculations of periodic systems, while the contraction of sets of planewaves into individual basis functions reduces the number of variational parameters, permitting the construction and direct diagonalization of the Fock matrix. The present study examines how NGWFs corresponding to Fourier series representations of conventional atom-centered basis sets can be used to evaluate exact exchange in periodic systems. Specifically, an approach for constructing the exchange operator with NGWFs is presented and used to perform Hartree-Fock calculations with a series of molecules in periodically repeated simulation cells. The results demonstrate that the NGWF approach is significantly faster than the EXX method, which is a standard approach for evaluating exact exchange in periodic systems.
Propagation of dust acoustic solitary waves in inhomogeneous plasma with dust charge fluctuations
Authors: Gogoi L. B. , Deka P. N.
Published: March 2017

Propagations of dust acoustic solitary waves are theoretically investigated in a collisionless, unmagnetized weakly inhomogeneous plasma. The plasma that is considered here consists of negatively charged dust grains and Boltzmann distributed electrons and ions in the presence of dust charge fluctuations. The fluid equations that we use for description of such plasmas are reduced to a modified Korteweg–de-Vries equation by employing a reductive perturbation method. In this investigation, we have used space–time stretched coordinates appropriate for the inhomogeneous plasmas. From the numerical results, we have observed a significant influence of inhomogeneity parameters on the propagation of dust acoustic solitary waves.
Spin magnetic susceptibility of ferromagnetic silicene in the presence of Rashba spin-orbit coupling
Authors: Mirabbaszadeh Kavoos , Yarmohammadi Mohsen , Khodadadi Jabbar
Published: March 2017

In the current work, the effect of extrinsic Rashba spin-orbit coupling (RSOC) on the electronic band structure (BS) and magnetic susceptibility (MS) of ferromagnetic silicene is investigated in the presence of external perpendicular electric field. The Kane-Mele Hamiltonian and Dirac cone approximation besides the Green’s functions approach have been used to study the MS of the spin-up and spin-down bands. By changing the electric field, energy of the inter-band transitions and MS are tuned. Our findings show that MS could be easily controlled by an external electric field and RSOC. The system shows three phases: Topological insulator (TI), valley-spin polarized metal (VSPM) and band insulator (BI) for various RSOC and electric field strengths. The maximum and minimum value of MS appears in the VSPM and BI regimes, respectively. RSOC leads to the distortion of BS and reduction of the effective mass which in combination with SOC provides some changes like phase transition of VSPM from antiferromagnetic to the paramagnetic phase. Strong RSOC results to the drastic reduction of MS and double peak of the spin-up or spin-down curves at low temperatures.
A novel quantum dynamical approach in electron microscopy combining wave-packet propagation with Bohmian trajectories
Authors: Rudinsky S. , Sanz A. S. , Gauvin R.
Published: March 2017

The numerical analysis of the diffraction features rendered by transmission electron microscopy typically relies either on classical approximations (Monte Carlo simulations) or quantum paraxial tomography (the multislice method and any of its variants). Although numerically advantageous (relatively simple implementations and low computational costs), they involve important approximations and thus their range of applicability is limited. To overcome such limitations, an alternative, more general approach is proposed, based on an optimal combination of wave-packet propagation with the on-the-fly computation of associated Bohmian trajectories. For the sake of clarity, but without a loss of generality, the approach is used to analyze the diffraction of an electron beam by a thin aluminum slab as a function of three different incidence (working) conditions which are of interest in electron microscopy: the probe width, the tilting angle, and the beam energy. Specifically, it is shown that, because there is a dependence on particular thresholds of the beam energy, this approach provides a clear description of the diffraction process at any energy, revealing at the same time any diversion of the beam inside the material towards directions that cannot be accounted for by other conventional methods, which is of much interest when dealing with relatively low energies and/or relatively large tilting angles.
Radial tunnel diodes based on InP/InGaAs core-shell nanowires
Authors: Tizno Ofogh , Ganjipour Bahram , Heurlin Magnus , Thelander Claes , Borgström Magnus T. , Samuelson Lars
Published: March 2017

We report on the fabrication and characterization of radial tunnel diodes based on InP(n+)/InGaAs(p+) core-shell nanowires, where the effect of Zn-dopant precursor flow on the electrical properties of the devices is evaluated. Selective and local etching of the InGaAs shell is employed to access the nanowire core in the contact process. Devices with an n+-p doping profile show normal diode rectification, whereas n+-p+ junctions exhibit typical tunnel diode characteristics with peak-to-valley current ratios up to 14 at room temperature and 100 at 4.2 K. A maximum peak current density of 28 A/cm2 and a reverse current density of 7.3 kA/cm2 at VSD = −0.5 V are extracted at room temperature after normalization with the effective junction area.
Particle-in-cell simulation for frequency up-conversion of microwave pulse in a rapidly created plasma
Authors: Chen Kun , Liu Chunliang , Gao Mingzhu , Chang Chao
Published: March 2017

Microwave pulse propagation through a rapidly created plasma and frequency up-conversion has been demonstrated by the particle-in-cell (PIC) method. Compared with the finite-difference time-domain method in which the time-varying plasma is simplified as a dielectric medium, the PIC method considering the interaction and motion of charged particles would be much closer to the experimental values. It is found that the source wave amplitude has a stable range to obtain the stable output. If the source wave amplitude is below 103 V/m with the plasma density of 4×1019m−3, the output is mainly the plasma noise. Moreover, the higher amplitude source wave beyond 108 V/m would break the spatial distribution of the plasma so as to have an influence on the conversion efficiency. The stable range of source wave amplitude is affected by the plasma density. The power loss will increase with the increase in the plasma density in the PIC method, and it is more convenient and accurate to discuss the effects of the collision frequency.
Extracting sensitive spectrum bands of rapeseed using multiscale multifractal detrended fluctuation analysis
Authors: Jiang Shan , Wang Fang , Shen Luming , Liao Guiping , Wang Lin
Published: March 2017

Spectrum technology has been widely used in crop non-destructive testing diagnosis for crop information acquisition. Since spectrum covers a wide range of bands, it is of critical importance to extract the sensitive bands. In this paper, we propose a methodology to extract the sensitive spectrum bands of rapeseed using multiscale multifractal detrended fluctuation analysis. Our obtained sensitive bands are relatively robust in the range of 534 nm–574 nm. Further, by using the multifractal parameter (Hurst exponent) of the extracted sensitive bands, we propose a prediction model to forecast the Soil and plant analyzer development values ((SPAD), often used as a parameter to indicate the chlorophyll content) and an identification model to distinguish the different planting patterns. Three vegetation indices (VIs) based on previous work are used for comparison. Three evaluation indicators, namely, the root mean square error, the correlation coefficient, and the relative error employed in the SPAD values prediction model all demonstrate that our Hurst exponent has the best performance. Four rapeseed compound planting factors, namely, seeding method, planting density, fertilizer type, and weed control method are considered in the identification model. The Youden indices calculated by the random decision forest method and the K-nearest neighbor method show that our Hurst exponent is superior to other three Vis, and their combination for the factor of seeding method. In addition, there is no significant difference among the five features for other three planting factors. This interesting finding suggests that the transplanting and the direct seeding would make a big difference in the growth of rapeseed.
A metasurface for conversion of electromagnetic radiation to DC
Authors: El Badawe Mohamed , Almoneef Thamer S. , Ramahi Omar M.
Published: March 2017

We present a metasurface electromagnetic energy harvester based on electrically small resonators. An array of 8× 8 cross resonators was designed to operate at 3GHz. Unlike earlier designs of metasurface harvesters where each resonator was connected to a single rectifier or load, in this work the received power by all resonators is channeled to a single rectifier which in turn channels the DC energy to a single 50Ω resistive load. The critical advantage of the proposed structure is maximizing power density per diode which maximizes the diode turn-on time. We show through simulation and measurements that the proposed metasurface harvester provides Radiation to DC conversion efficiency of more than 40%.