bluuebunny/crossref_metadata_2025 huggingface dataset:
Primary Charge Separation in the Photosystem II Reaction Center Revealed by a Global Analysis of the Two-dimensional Electronic Spectra
Authors: Duan Hong-Guang , Prokhorenko Valentyn I. , Wientjes Emilie , Croce Roberta , Thorwart Michael , Miller R. J. Dwayne
Published: September 2017

The transfer of electronic charge in the reaction center of Photosystem II is one of the key building blocks of the conversion of sunlight energy into chemical energy within the cascade of the photosynthetic reactions. Since the charge transfer dynamics is mixed with the energy transfer dynamics, an effective tool for the direct resolution of charge separation in the reaction center is still missing. Here, we use experimental two-dimensional optical photon echo spectroscopy in combination with the theoretical calculation to resolve its signature. A global fitting analysis allows us to clearly and directly identify a decay pathway associated to the primary charge separation. In particular, it can be distinguished from regular energy transfer and occurs on a time scale of 1.5 ps under ambient conditions. This technique provides a general tool to identify charge separation signatures from the energy transport in two-dimensional optical spectroscopy.
Whole genome characterization of sequence diversity of 15,220 Icelanders
Authors: Jónsson Hákon , Sulem Patrick , Kehr Birte , Kristmundsdottir Snaedis , Zink Florian , Hjartarson Eirikur , Hardarson Marteinn T. , Hjorleifsson Kristjan E. , Eggertsson Hannes P. , Gudjonsson Sigurjon Axel , Ward Lucas D. , Arnadottir Gudny A. , Helgason Einar A. , Helgason Hannes , Gylfason Arnaldur , Jonasdottir Adalbjorg , Jonasdottir Aslaug , Rafnar Thorunn , Besenbacher Soren , Frigge Michael L. , Stacey Simon N. , Magnusson Olafur Th. , Thorsteinsdottir Unnur , Masson Gisli , Kong Augustine , Halldorsson Bjarni V. , Helgason Agnar , Gudbjartsson Daniel F. , Stefansson Kari
Published: September 2017

Understanding of sequence diversity is the cornerstone of analysis of genetic disorders, population genetics, and evolutionary biology. Here, we present an update of our sequencing set to 15,220 Icelanders who we sequenced to an average genome-wide coverage of 34X. We identified 39,020,168 autosomal variants passing GATK filters: 31,079,378 SNPs and 7,940,790 indels. Calling de novo mutations (DNMs) is a formidable challenge given the high false positive rate in sequencing datasets relative to the mutation rate. Here we addressed this issue by using segregation of alleles in three-generation families. Using this transmission assay, we controlled the false positive rate and identified 108,778 high quality DNMs. Furthermore, we used our extended family structure and read pair tracing of DNMs to a panel of phased SNPs, to determine the parent of origin of 42,961 DNMs.
Electrochemical impedance spectroscopy of blood. Part 2: numerical analysis of experimental dielectric spectra using the biconcave shape of human erythrocytes
Authors: Zhbanov A. , Yang S.
Published: September 2017

Results reported in the companion paper (Zhbanov and Yang,Anal. Methods, 2017,17, 3302) showed that electrochemical impedance spectroscopy is a highly promising tool for the analysis of blood.
SERS spectroscopy for detection of hydrogen cyanide in breath from children colonised with P. aeruginosa
Authors: Lauridsen Rikke Kragh , Skou Peter Bæk , Rindzevicius Tomas , Wu Kaiyu , Molin Søren , Engelsen Søren Balling , Nielsen Kim Gjerum , Johansen Helle Krogh , Boisen Anja
Published: September 2017

There is a need for a fast and non-invasive tool to detect Pseudomonas aeruginosa airway colonisation in cystic fibrosis (CF) patients unable to expectorate.
A novel HPLC method for the determination of zonisamide in human plasma using microextraction by packed sorbent optimised by experimental design
Authors: Lourenço Dina , Sarraguça Mafalda , Alves Gilberto , Coutinho Paula , Araujo André R. T. S. , Rodrigues Márcio
Published: September 2017

A novel high-performance liquid chromatography-diode array detection method based on microextraction by packed sorbent as a sample preparation approach was developed and validated for the determination of zonisamide in human plasma.
Visual determination of ferric ions in aqueous solution based on a high selectivity and sensitivity ratiometric fluorescent nanosensor
Authors: Wu Haolan , Yang Lian , Chen Linfeng , Xiang Fang , Gao Hongyu
Published: September 2017

A novel ratiometric fluorescent nanosensor for visual sensing of Fe3+ has been developed by integrating yellow-emissive rhodamine derivatives (RhB) onto the surface of silica nanospheres embedded with red CdTe QDs.
Novel poly(vinyl alcohol)-based amphiphilic nanogels by non-covalent boric acid crosslinking of polymeric micelles
Authors: Moshe Hen , Davizon Yuval , Menaker Raskin Maya , Sosnik Alejandro
Published: September 2017

In this work, we report a new type of poly(vinyl alcohol)-g-poly(N-isopropylacrylamide) (PVA-g-PNiPAAm) amphiphilic nanogel produced by the non-covalent crosslinking of PVA polyol domains in preformed polymeric micelles with boric acid.
Palladium-catalyzed oxidative arylacetoxylation of alkenes: synthesis of indole and indoline derivatives
Authors: Karnakanti Shuklachary , Zang Zhong-Lin , Zhao Sheng , Shao Pan-Lin , Hu Ping , He Yun
Published: September 2017

A method for the oxidative arylacetoxylation of alkenes has been developed to synthesize indole and indoline derivatives from readily accessible substrates.
Rhodium(iii)-catalyzed intramolecular annulation through C–H activation: concise synthesis of rosettacin and oxypalmatime
Authors: Song Liangliang , Tian Guilong , He Yi , Van der Eycken Erik V.
Published: September 2017

A flexible and efficient rhodium(iii)-catalyzed intramolecular annulation of benzamides bearing tethered alkynes for the synthesis of indolizinones and quinolizinones is reported.
Construction of a porous nitrogen-doped carbon nanotube with open-ended channels to effectively utilize the active sites for excellent oxygen reduction reaction activity
Authors: Wang Yao , Chen Wei , Nie Yao , Peng Lishan , Ding Wei , Chen Siguo , Li Li , Wei Zidong
Published: September 2017

We rationally designed and controllably fabricated a well-defined porous nitrogen-doped carbon nanotube with open-ended channels as a catalyst for the ORR by a twice pseudomorphic transformation of MnO2 nanotubes.
Noble gas bond and the behaviour of XeO3under pressure
Authors: Hou Chunju , Wang Xianlong , Botana Jorge , Miao Maosheng
Published: September 2017

The covalent Xe–O bond lengths in XeO3are elongated upon increasing the pressure, which is similar to the change observed with hydrogen bonds under pressure. Moreover, XeO3rearranges in a highly-ordered manner by O hopping at about 2 GPa, which is analogous to the proton hopping observed among hydrogen bonds.
Divalent ions are potential permeating blockers of the non-selective NaK ion channel: combined QM and MD based investigations
Authors: Sadhu Biswajit , Sundararajan Mahesh , Bandyopadhyay Tusar
Published: September 2017

The interplay between the hydration energy barrier and optimum site-selectivity controls the permeation and blocking features of divalent metal ions.
Environmental performance of bio-based and biodegradable plastics: the road ahead
Authors: Lambert Scott , Wagner Martin
Published: September 2017

This review provides a critical discussion as to the future direction of plastic materials, including balancing factors such as biodegradability and longevity, effects of additive compounds, feedstock developments, and environmental considerations.
Natural product modulators of human sensations and mood: molecular mechanisms and therapeutic potential
Authors: Pluskal Tomáš , Weng Jing-Ke
Published: September 2017

We review action mechanisms and therapeutic potential of natural products that modulate human sensations and mood through specific molecular receptors.
Allowing the direct interaction of N-aryl α-diimines with a high valent metal chloride: one-pot WCl6-promoted formation of quinoxalinium salts
Authors: Bartalucci Niccolò , Bortoluzzi Marco , Funaioli Tiziana , Marchetti Fabio , Pampaloni Guido , Zacchini Stefano
Published: September 2017

BREAKING THE RULE! N-(2,6-diisopropylphenyl) α-diimines, known to be robust ligands in coordination chemistry, convert into quinoxalinium cations by reaction with WCl6 in mild conditions.
Exploiting the energetic potential of 1,2,4-oxadiazole derivatives: combining the benefits of a 1,2,4-oxadiazole framework with various energetic functionalities
Authors: Yan Chao , Wang Kangcai , Liu Tianlin , Yang Hongwei , Cheng Guangbin , Zhang Qinghua
Published: September 2017

A series of 1,2,4-oxadiazole derived energetic compounds were synthesized and structurally characterized, some of which have the potential as melt-cast explosives or secondary explosives.
Selective separation of furfural and hydroxymethylfurfural from an aqueous solution using a supported hydrophobic deep eutectic solvent liquid membrane
Authors: Dietz Carin H. J. T. , Kroon Maaike C. , Di Stefano Michela , van Sint Annaland Martin , Gallucci Fausto
Published: September 2017

For the first time, 12 different supported deep eutectic solvent (DES) liquid membranes were prepared and characterized.
Multivariate characterization of salt and fat content, and the fatty acid profile of pastry and bakery products
Authors: Albuquerque Tânia Gonçalves , Santos Joana , Silva Mafalda Alexandra , Oliveira M. Beatriz P. P. , Costa Helena S.
Published: September 2017

The content of salt, fat and fatty acid profile of pastry and bakery products commercialised in Portugal was evaluated.
A practicable process for lignin color reduction: fractionation of lignin using methanol/water as a solvent
Authors: Zhang Hui , Bai Youcan , Yu Boming , Liu Xinxin , Chen Fangeng
Published: September 2017

The color of lignin was obviously reduced via a chemical-reaction-free fractionation using methanol/water as a solvent.
An integrated strategy for catalytic co-production of jet fuel range alkenes, tetrahydrofurfuryl alcohol, and 1,2-pentanediol from lignocellulosic biomass
Authors: Byun Jaewon , Han Jeehoon
Published: September 2017

A process-system engineering study was presented for the catalytic production of jet fuel range alkenes, tetrahydrofurfuryl alcohol, and 1,2-pentanediol from lignocellulosic biomass.
Scalable and super-stable exfoliation of graphitic carbon nitride in biomass-derived γ-valerolactone: enhanced catalytic activity for the alcoholysis and cycloaddition of epoxides with CO2
Authors: Xue Zhimin , Liu Feijie , Jiang Jingyun , Wang Jinfang , Mu Tiancheng
Published: September 2017

γ-Valerolactone could exfoliate bulk g-C3N4 to form a super-stable dispersion of few-layer g-C3N4 nanosheets with a high concentration of 0.8 mg mL−1, showing enhanced activity for non-photocatalytic reactions.
Cell migration in microengineered tumor environments
Authors: Um Eujin , Oh Jung Min , Granick Steve , Cho Yoon-Kyoung
Published: September 2017

Recent advances in microengineered cell migration platforms are discussed critically with focus on how cell migration is influenced by engineered tumor microenvironments, the medical relevance being to understand how tumor microenvironments may promote or suppress the progression of cancer.
Synthesis of smart bimetallic nano-Cu/Ag@SiO2for clean oxidation of alcohols
Authors: Saha Arijit , Payra Soumen , Banerjee Subhash
Published: September 2017

Silica (SiO2) supported bimetallic copper/silver nanoparticles (Cu/Ag@SiO2NPs) were synthesized for clean oxidation of benzoins/benzyl alcohols. All the reactions were fast, clean and high yielding (95–99%) and the Cu/Ag@SiO2nano-catalyst was reused eight times without loss of its catalytic performance.
A benzopyrylium–phenothiazine conjugate of a flavylium derivative as a fluorescent chemosensor for cyanide in aqueous media and its bioimaging
Authors: Mondal Sanchita , Samim Ali Syed , Manna Srimanta , Maiti Kalipada , Uddin Md. Raihan , Mandal Sukhendu , Mandal Debasish , Mahapatra Ajit Kumar
Published: September 2017

A new benzopyrylium–phenothizine conjugate (BP) has been synthesized for CN−sensing.
Selective engineering of oxygen-containing functional groups using the alkyl ligand oleylamine for revealing the luminescence mechanism of graphene oxide quantum dots
Authors: Jang Min-Ho , Yang Hyunseung , Chang Yun Hee , Park Hyun-Chul , Park Hyeonjung , Cho Han Hee , Kim Bumjoon J. , Kim Yong-Hyun , Cho Yong-Hoon
Published: September 2017

The role of the epoxide group in light emission of GOQDs is demonstrated by selective passivation using the alkyl ligand oleylamine.
Enhancing light coupling and emission efficiencies of AlGaN thin film and AlGaN/GaN multiple quantum wells with periodicity-wavelength matched nanostructure array
Authors: Guo Wei , Yang Zhenhai , Li Junmei , Yang Xi , Zhang Yun , Wang Junxi , Chee Kuan W. A. , Gao Pingqi , Ye Jichun
Published: September 2017

The periodicity of a PhC nanostructure array needs to match with the wavelength for improved light extraction enhancement in AlGaN UV-LEDs.
Fluorescent and “breathable” CO2 responsive vesicles inspired from green fluorescent protein
Authors: Xu Lei , Ren Ning , Pang Ji , Deng Hongping , Zhu Xinyuan , Sun Mo , Yan Deyue
Published: September 2017

CO2 responsive fluorescent vesicles from a GFP chromophore labeled block-copolymer could change their size and fluorescence to mimic jellyfish breathing.
Third-order NLO properties of ultrathin films containing cationic phthalocyanine and Keggin polyoxometalates fabricated using layer-by-layer deposition from aqueous solution
Authors: Asif Hafiz Muhammad , Qu Ningning , Zhou Yunshan , Zhang Lijuan , Shehzad Farooq Khurrum , Shi Zonghai , Long Yi , Hassan Sadaf Ul
Published: September 2017

Third-order optical nonlinearities of ultrathin films derived from cationic phthalocyanine and Keggin polyoxometalates can be well tuned and enhanced.
A flower-like NiO–SnO2 nanocomposite and its non-enzymatic catalysis of glucose
Authors: Zhou Yan , Ni Xiao , Ren Zhen , Ma Jiayi , Xu Jinzhong , Chen Xiaojun
Published: September 2017

A flower-like NiO–SnO2 nanocomposite was synthesized by a solvothermal method, which exhibited highly non-enzymatic catalysis towards the oxidation of glucose with a linear response range of 0.01–26 mM and a detection limit of 1 μM.
A highly sensitive electrochemical IFN-γ aptasensor based on a hierarchical graphene/AuNPs electrode interface with a dual enzyme-assisted amplification strategy
Authors: Yin Yu , Shi Lei , Chu Zhenyu , Jin Wanqin
Published: September 2017

A new signal-on electrochemical aptasensor for IFN-γ assay is constructed on a hierarchical graphene/AuNPs modified electrode coupled with a dual enzyme-assisted signal amplification strategy.
Influence of culture conditions on extracellular polysaccharide production and the activities of enzymes involved in the polysaccharide synthesis of Nostoc flagelliforme
Authors: Han Pei-pei , Yao Shun-yu , Guo Rong-jun , Yan Rong-rong , Wu Yi-kai , Shen Shi-gang , Jia Shi-ru
Published: September 2017

Important enzymes influencing the production ofNostoc flagelliformeEPS were investigated under different culture conditions.
Nickel-catalyzed aminocarbonylation of aryl halides using carbamoylsilane as an amide source
Authors: Wen Xue-Ping , Han Yu-Ling , Chen Jian-Xin
Published: September 2017

The nickel-catalyzed aminocarbonylation reaction of aryl halides using carbamoylsilanes as an amide source in toluene is developed leading to the formation of some tertiary or secondary aryl amides in good yields.
Evaluation of the efficacy and safety of Ganoderma lucidum mycelium-fermented liquid on gut microbiota and its impact on cardiovascular risk factors in human
Authors: Wu Qizheng , Zhang Houcheng , Wang Peng Gorge , Chen Min
Published: September 2017

Systematic analysis the effects and safety of GLFL on gut microbiota and cardiovascular risk factors in human.
Copper powder-catalyzed chelation-assisted cascade reaction of o-chloroarylacetic acids with amines under solvent- and ligand-free conditions: synthesis of oxindoles
Authors: Li Jiang-Sheng , Chen Guo-Qin , Yang Qian , Li Zhi-Wei , Liu Ci-Zhi , Huang Peng-Mian
Published: September 2017

Copper powder-catalyzed sequential C–Cl amination/intramolecular N-acylation under solvent- and ligand-free conditions is developed to access oxindoles.
Physicochemical characterization of high-quality bacterial cellulose produced by Komagataeibacter sp. strain W1 and identification of the associated genes in bacterial cellulose production
Authors: Wang Shan-Shan , Han Yong-He , Ye Yu-Xuan , Shi Xiao-Xia , Xiang Ping , Chen Deng-Long , Li Min
Published: September 2017

Komagataeibactersp. W1 produced high-quality BC, the properties and synthesis mechanisms of which were analyzed by SEM, XRD and FTIR, and genome sequencing, respectively.
Bio-inspired electrochemical corrosion coatings derived from graphene/natural lacquer composites
Authors: Deng Yajun , Bai Weibin , Chen Jipeng , Zhang Xinmei , Wang Shenji , Lin Jinhuo , Xu Yanlian
Published: September 2017

To develop green efficient anti-corrosion coatings, graphene/lacquer composite coatings were demonstrated.
Probing surface oxide formations on SiO2-supported platinum nanocatalysts under CO oxidation
Authors: Oh Sunyoung , Back Seoin , Doh Won Hui , Moon Song Yi , Kim Jeongjin , Jung Yousung , Park Jeong Young
Published: September 2017

Formations of an ultrathin oxide layer on noble metal catalysts affect the characteristics of fundamental molecular behaviours such as adsorption, diffusion, and desorption on their surfaces.
Facile, simple, and inexpensive ionic liquid, 1-phenyl-3-methylimidazole diphenyl phosphate, as an efficient phosphorus-based ligand for copper-catalyzed reverse atom transfer radical polymerization of methyl methacrylate
Authors: Liu Xiao-hui , Zhu Qian , Zhang Yan-guang , Zhang Qiu-yan , Ding Chen , Li Jun
Published: September 2017

A facile, simple, and inexpensive ionic liquid, 1-phenyl-3-methylimidazole diphenyl phosphate has been successfully used as an efficient phosphorus ligand for CuBr2-mediated reverse ATRP.
Structural insights into HIV-1 protease flap opening processes and key intermediates
Authors: Yu Yuqi , Wang Jinan , Chen Zhaoqiang , Wang Guimin , Shao Qiang , Shi Jiye , Zhu Weiliang
Published: September 2017

The study provided an integrated view of the transition pathway of the flap opening of HIV-1 protease using MD simulation.
The preparation and electrorheological behavior of bowl-like titanium oxide nanoparticles
Authors: He Kai , Wen Qingkun , Wang Chengwei , Wang Baoxiang , Yu Shoushan , Hao Chuncheng , Chen Kezheng
Published: September 2017

Bowl-like TiO2 nanoparticles were synthesized via a solvothermal method, and they exhibit smart electrorheological behavior under an external electric field.
Promotion of performances of quantum dot solar cell and its tandem solar cell with low bandgap polymer (PTB7-Th):PC71BM by water vapor treatment on quantum dot layer on its surface
Authors: Li Yi-Lun , Yeh Po-Nan , Sharma Sunil , Chen Show-An
Published: September 2017

In this study, we propose new treatments on the PbS quantum dot (QD) layer surface by exposing it to air, water vapor and oxygen environments at room temperature.
Tracking the maximum power point of hysteretic perovskite solar cells using a predictive algorithm
Authors: Cimaroli Alexander J. , Yu Yue , Wang Changlei , Liao Weiqiang , Guan Lei , Grice Corey R. , Zhao Dewei , Yan Yanfa
Published: September 2017

The predictive algorithm measures and predicts the steady-state current density for each bias set point, which speeds up the tracking process and measures the true maximum power point, regardless of the degree of hysteresis.
Coculture of allogenic DBM and BMSCs in the knee joint cavity of rabbits for cartilage tissue engineering
Authors: Xu Bin , Wang Rui , Wang Hao , Xu Hong-Gang
Published: September 2017

The present study aims to assess coculture of allogenic decalcified bone matrix (DBM) and bone marrow mesenchymal stem cells (BMSCs) in the knee joint cavity of rabbits for cartilage tissue engineering. Rabbits were assigned to an in vitro group, an in vivo group, and a blank control group. At the 4th, 8th, and 12th week, samples from all groups were collected for hematoxylin–eosin (HE) staining and streptavidin–peroxidase (SP) method. The morphological analysis software was used to calculate the average absorbance value (A value). SP and flow cytometry demonstrated that BMSCs were induced into chondrocytes. DBM scaffold showed honeycomb-shaped porous and three-dimensional structure, while the surface pores are interlinked with the deep pores. At the 4th week, in the blank control group, DBM scaffold structure was clear, and cells analogous to chondrocytes were scattered in the interior of DBM scaffolds. At the 8th week, in the in vivo group, there were a large amount of cells, mainly mature chondrocytes, and the DBM scaffolds were partially absorbed. At the 12th week, in the in vitro group, the interior of scaffolds was filled up with chondrocytes with partial fibrosis, but arranged in disorder. In the in vivo group, the chondrocytes completely infiltrated into the interior of scaffolds and were arranged in certain stress direction. The in vivo group showed higher A value than the in vitro and blank control groups at each time point. Allogenic DBM combined BMSCs in the knee joint cavity of rabbits could provide better tissue-engineered cartilage than that cultivated in vitro.
Design of speed adaptive myoelectric active ankle prosthesis
Authors: Mazumder O. , Kundu A. , Lenka P. , Bhaumik S.
Published: September 2017

This Letter presents the design and development of active myoelectric ankle foot prosthesis for transtibial amputees. The proposed device consists of a linear actuator mechanism, designed specifically to replicate a normal ankle joint and is controlled by user's myoelectric signal. The developed prosthesis provides active actuation during gait and is adaptive to change in walking speed. In this Letter, the authors report initial experimental characterisation of the performance of the control system. The developed device has been tested on a transtibial amputee. Results validate the adaptive trajectory control mechanism with dynamic speed change.
Cost‐effective dual‐polarised leaky‐wave antennas enabled by three‐dimensional printing
Authors: García‐Vigueras Maria , Menargues Esteban , Debogovic Tomislav , de Rijk Emile , Mosig Juan Ramon
Published: September 2017

This study proposes a compact dual‐polarised directive radiator whose complex prototyping is enabled by additive manufacturing. In addition to monolithic implementation, stereolitography followed by metal coating, it also provides high radio‐frequency performance, low cost and low weight. Dual‐channel simultaneous operation is supported thanks to the integration of an orthomode transducer within the structure. Entirely waveguide based, this compound radiating structure is specially well suited to be 3D‐printed, and in principle, it allows scaling to match a specific frequency of operation. Both the antenna concept and the employed advanced manufacturing technique are validated experimentally through the realisation and measurement of two prototypes operating, respectively, at 30 and 60 GHz. The proposed architecture is easily amenable to be grouped in a compact higher‐gain array, thus holding strong potential for platform‐constrained applications, such as inter‐satellite links between CubeSats.
Study on the design and switching dynamics of hysteresis current controlled four‐leg voltage source inverter for load compensation
Authors: Ismail Nafih Muhammad , Mishra Mahesh K
Published: September 2017

In a variable switching frequency control scheme, it is challenging to design the voltage source inverter (VSI) parameters without knowing the maximum and minimum switching frequencies. The switching frequency variation depends on the system parameters. Therefore, the expression for frequency variation in one inverter topology does not hold in other topologies. The design of hysteresis current controlled four‐leg shunt active power filter (APF) requires the switching dynamics analysis to ensure satisfactory performance of the inverter. In this study, a detailed analysis on the switching dynamics of hysteresis current controlled four‐leg VSI and design of various inverter components for compensating unbalanced and non‐linear loads are presented. The results obtained from these analyses can be used in any applications involving hysteresis current controlled four‐leg VSI. These results are supported by detailed simulation studies conducted on a three‐phase four‐leg shunt APF system using Matlab/Simulink. The theoretical studies and design of passive components are also verified by conducting experiments on a prototype of four‐leg shunt APF developed in the laboratory.
Investigating the interstellar dust through the Fe K-edge
Authors: Rogantini D. , Costantini E. , Zeegers S. T. , de Vries C. P. , Bras W. , de Groot F. , Mutschke H. , Waters L. B. F. M.
Published: September 2017

Context. The chemical and physical properties of interstellar dust in the densest regions of the Galaxy are still not well understood. X-rays provide a powerful probe since they can penetrate gas and dust over a wide range of column densities (up to 1024 cm-2). The interaction (scattering and absorption) with the medium imprints spectral signatures that reflect the individual atoms which constitute the gas, molecule, or solid.

Aims. In this work we investigate the ability of high resolution X-ray spectroscopy to probe the properties of cosmic grains containing iron. Although iron is heavily depleted into interstellar dust, the nature of the Fe-bearing grains is still largely uncertain.

Methods. In our analysis we use iron K-edge synchrotron data of minerals likely present in the ISM dust taken at the European Synchrotron Radiation Facility. We explore the prospects of determining the chemical composition and the size of astrophysical dust in the Galactic centre and in molecular clouds with future X-ray missions. The energy resolution and the effective area of the present X-ray telescopes are not sufficient to detect and study the Fe K-edge, even for bright X-ray sources.

Results. From the analysis of the extinction cross sections of our dust models implemented in the spectral fitting program SPEX, the Fe K-edge is promising for investigating both the chemistry and the size distribution of the interstellar dust. We find that the chemical composition regulates the X-ray absorption fine structures in the post edge region, whereas the scattering feature in the pre-edge is sensitive to the mean grain size. Finally, we note that the Fe K-edge is insensitive to other dust properties, such as the porosity and the geometry of the dust.
One-Pot Michael Addition/Radical Cyclization Reaction of N-Acryloyl Indoles
Authors: Irwin Lauren , Kerr Michael
Published: September 2017

From N-acryloyl indoles, ten examples of 1,2-annulated ­indole products were generated in a one-pot procedure via a Michael addition and radical cyclization mediated by Mn(OAc)3.
Zirconyl Nitrate as an Efficient Catalyst for Facile Synthesis of 2-Aryl-2,3-dihydroquinolin-4(1H)-one Derivatives in Aqueous ­Medium
Authors: Gorepatil Amarsinha , Gorepatil Pratapsinha , Gaikwad Mahadev , Mhamane Dattakumar , Phadkule Ajit , Ingle Vilas
Published: September 2017

A simple, green, and efficient method is introduced for the synthesis of 2-aryl-2,3-dihydroquinolin-4(1H)-ones under mild reaction conditions with improved yields by intramolecular cyclization of o-aminochalcones with zirconyl nitrate [Zn(O)(NO3)2·nH2O] as a water-tolerant Lewis-acid catalyst.
Prediction of Pathological Complete Response to Neoadjuvant Chemotherapy for Primary Breast Cancer Comparing Interim Ultrasound, Shear Wave Elastography and MRI
Authors: Evans Andrew , Whelehan Patsy , Thompson Alastair , Purdie Colin , Jordan Lee , Macaskill Jane , Waugh Shelley , Fuller-Pace Frances , Brauer Katrin , Vinnicombe Sarah
Published: September 2017

Background Prediction of pathological complete response (pCR) of primary breast cancer to neoadjuvant chemotherapy (NACT) may influence planned surgical approaches in the breast and axilla. The aim of this project is to assess the value of interim shear wave elastography (SWE), ultrasound (US) and magnetic resonance imaging (MRI) after 3 cycles in predicting pCR.

Methods 64 patients receiving NACT had baseline and interim US, SWE and MRI examinations. The mean lesion stiffness at SWE, US and MRI diameter was measured at both time points. We compared four parameters with pCR status: a) Interim mean stiffness ≤ or > 50 kPa; b) Percentage stiffness reduction; c) Percentage US diameter reduction and d) Interim MRI response using RECIST criteria. The Chi square test was used to assess significance.

Results Interim stiffness of ≤ or > 50 kPa gave the best prediction of pCR with pCR seen in 10 of 14 (71 %) cancers with an interim stiffness of ≤ 50 kPa, compared to 7 of 50 (14 %) of cancers with an interim stiffness of > 50 kPa, (p < 0.0001) (sensitivity 59 %, specificity 91 %, PPV 71 %, NPV 86 % and diagnostic accuracy 83 %). Percentage reduction in stiffness was the next best parameter (sensitivity 59 %, specificity 85 %, p < 0.0004) followed by reduction in MRI diameter of > 30 % (sensitivity 50 % and specificity 79 %, p = 0.03) and % reduction in US diameter (sensitivity 47 %, specificity 81 %, p = 0.03). Similar results were obtained from ROC analysis.

Conclusion SWE stiffness of breast cancers after 3 cycles of NACT and changes in stiffness from baseline are strongly associated with pCR after 6 cycles.
The Role of Gut Hormones in Diet-Induced Weight Change: A Systematic Review
Authors: Zhao Xue , Han Qing , Gang Xiaokun , Lv You , Liu Yujia , Sun Chenglin , Wang Guixia
Published: September 2017

Gut hormones are known to play an important role in long-term weight loss maintenance after bariatric surgery. However, the interplay between gut hormones and diet-induced weight changes remains unclear. Our aims were to evaluate the alterations of gut hormones in diet-induced weight loss, weight maintenance, and weight regain periods. Available studies were searched on MEDLINE, EMASE, ClinicalTrials.gov, the Cochrane Library, and Web of science from inception to October 2016. After selection, 16 studies with 656 participants were included. Based on current evidence, we found significant alterations of gut hormones induced by different diets. In weight-loss diets, decreased fasting total PYY, GLP-1, CCK, GIP, PP, and amylin along with increased ghrelin levels were observed in most studies. After weight loss, the persistent decreases of fasting total PYY and GLP-1 levels as well as increased appetite were reported, suggesting the profound impact of altered gut hormones on later weight regain after dietary intervention. The differences between diet-induced changes in gut hormones and other treatments such as bariatric surgery and exercise are also discussed in this review. Although significant alterations of gut hormones were found during weight changes, huge heterogeneity exists in methods and populations. More large-scale studies with elaborate design addressing the gut hormone alterations in dietary weight regulation are required in the future.
Vigorous Physical Activity is Associated with Regular Aerobic Exercise-Induced Increased Serum Testosterone Levels in Overweight/Obese Men
Authors: Kumagai Hiroshi , Yoshikawa Toru , Zempo-Miyaki Asako , Myoenzono Kanae , Tsujimoto Takehiko , Tanaka Kiyoji , Maeda Seiji
Published: September 2017

Testosterone is a male sex hormone and low circulating testosterone levels are associated with various health disorders in men. Obesity results in reduced circulating testosterone levels in men. Previously, we demonstrated that lifestyle modifications (combination of aerobic exercise and dietary modification) increase circulating testosterone levels in overweight/obese men. However, the effect of regular aerobic exercise on serum testosterone levels remains unclear. The purpose of this study was to investigate the effect of a 12-week aerobic exercise intervention on circulating testosterone levels in normal-weight and overweight/obese men. Sixteen normal-weight men and twenty-eight overweight/obese men completed a 12-week aerobic exercise intervention. Before and after the intervention, we measured serum total testosterone, free testosterone, and bioavailable testosterone levels, and categorized the physical activity levels (light, moderate, or vigorous) in all participants. At baseline, serum total testosterone, free testosterone, and bioavailable testosterone levels were significantly lower in overweight/obese men than in normal-weight men (all p<0.01). After the 12-week aerobic exercise intervention, serum total testosterone, free testosterone, and bioavailable testosterone levels significantly increased in overweight/obese men (p<0.01). In addition, stepwise multivariable linear regression analysis revealed the increase in vigorous physical activity was independently associated with increased serum total testosterone levels (β=0.47, p=0.011). We demonstrated that a 12-week aerobic exercise intervention increased serum total testosterone, free testosterone, and bioavailable testosterone levels in overweight/obese men. We suggest that an increase in vigorous physical activity increased circulating testosterone levels in overweight/obese men.
Current Utilization and Acceptance of Multiparametric MRI in the Diagnosis of Prostate Cancer. A Regional Survey
Authors: Ullrich Tim , Schimmöller Lars , Oymanns Mathias , Blondin Dirk , Dietzel Frederic , Kirchner Julian , Arsov Christian , Rabenalt Robert , Albers Peter , Antoch Gerald , Quentin Michael
Published: September 2017

Purpose To assess the current regional acceptance, valuation, and clinical role of multiparametric MRI (mp-MRI) in prostate cancer diagnostics by patients and physicians.

Materials and Methods Of 482 distributed standardized questionnaires, 328 patient and 31 physician questionnaires (urological and general practitioners in and around Düsseldorf) were analyzed over a period of 11 months. Questions were asked concerning general knowledge about prostate cancer, current diagnostic procedures, and knowledge about mp-MRI and MRI-guided biopsy.

Results 70 % of the patients regarded accurate and exact diagnostics of prostate carcinomas as very important and 68 % considered MP-MRI a useful technique. 28 % of the patients with elevated PSA levels and negative transrectal ultrasound-guided biopsy (TRUS-GB) received MP-MRI as a secondary diagnostic. More than half of the patients estimated their overall knowledge about prostate cancer mediocre or worse and wished for more information about MR diagnostics. The majority of physicians (55 %) ordered MP-MRI studies of the prostate and 68 % saw their basic role in secondary diagnostics.

Conclusion In this regional assessment mp-MRI of the prostate was considered useful by patients and practitioners. Currently, there still is a considerable discrepancy between recommended and the actual number of conducted MP-MRI studies, particularly in patients after previous negative TRUS-GB, although practitioners already see the benefit in this patient collective. Even though the use of prostate MRI is frequently more established than suggested in the current German S3-guideline, its full potential has not yet been exploited. More comprehensive information about the applications and diagnostic benefits of prostate MRI is needed and desired among patients and physicians.

Key Points 

Citation Format
Feasibility of a complete pancreatobiliary linear endoscopic ultrasound examination from the stomach
Authors: Dhir Vinay , Adler Douglas , Pausawasdi Nonthalee , Maydeo Amit , Ho Khek
Published: September 2017

Background and study aims Linear endoscopic ultrasound (EUS) evaluation of the pancreaticobiliary system usually requires scanning from both the stomach and the duodenum. The feasibility of assessing the complete pancreaticobiliary system from the stomach alone has not been studied. We aimed to conceptualize a system-based approach (the railroad approach) for linear pancreaticobiliary EUS (PB-EUS) and evaluate whether the pancreaticobiliary anatomy could be assessed from the stomach alone.

Patients and methods Three maneuvers were conceptualized and evaluated (the alpha maneuver in the stomach, and sigma and xi maneuvers in the duodenum). The maneuvers were prospectively evaluated in 100 consecutive patients requiring PB-EUS. 

Results The median procedure time for the three maneuvers was significantly higher than that for the alpha maneuver alone (12 vs. 6 minutes; P ≤ 0.001). The visualization rate of the hilum and common hepatic duct was significantly higher from the stomach than from the duodenum (100 % vs. 83.5 %; P ≤ 0.001), while rates for the head of the pancreas (100 % vs 100 %) and uncinate process (100 % vs 100 %) did not differ. The suprapancreatic common bile duct (CBD; 92 % vs 100 %; P = 0.006), retropancreatic CBD (95 % vs 100 %; P = 0.06), and pancreatic duct in the head (94 % vs 100 %; P = 0.03) were not completely visualized from the stomach, because of pancreatic calcification or shadow from the ligaments. The EUS diagnosis made from the stomach and duodenum did not differ after excluding body and tail lesions (pancreatic head neoplasms, 100 % vs 100 %; CBD stone, 100 % vs 84.6 %; pancreatic cysts in the head, 83.3 % vs 83.3 %, respectively).

Conclusions Adequate anatomical and diagnostic information on the pancreaticobiliary system may be acquired by EUS scanning from the stomach alone and with a shorter procedure time.
Radiation Exposure During Uterine Fibroid Embolization (UFE): A Confounder-Controlled Comparison Between a State-of-the-Art Angiography Unit and a Conventional Angiography unit
Authors: Sommer Christof-Matthias , Voigt Wieland , Klapp Oliger Michel , Schlett Christopher , Erpenbach Stefan , Thomas Katrina , Hatopp Andreas , Kurz Patrick , Richter Goetz
Published: September 2017

Purpose To compare radiation exposure of a state-of-the-art and a conventional angiography unit in patients undergoing uterine fibroid embolization (UFE).

Materials and Methods Between January 2009 and December 2016, 286 patients underwent UFE in our Interdisciplinary Fibroid Center. The inclusion criteria for this retrospective analysis were first-time transarterial embolization for symptomatic fibroids, bilateral embolization, procedures applying a state-of-the-art (Group 1) or a conventional angiography unit (Group 2), and bilateral technical success with an adequate embolization endpoint after the injection of microspheres. Study endpoints included radiation exposure, major complications, morphological success (MRI), and clinical success (questionnaire on quality-of-life). Propensity score matching controlled for confounders.

Results The inclusion criteria were met by 58 (Group 1) and 177 (Group 2) patients. After propensity score matching, there was no significant difference between Group 1 (n = 46) and Group 2 (n = 92) regarding age, body-mass index, volume of the dominant fibroid and the uterus, fluoroscopy time, and amount of embolic agent (p ≥ 0.10 each). The dose-area product was significantly lower in Group 1 than in Group 2 (1159.0 cGycm2 vs. 3123.5 cGycm2; p < 0.001), while major complication rates (both groups 0 %) and dominant fibroid devascularization (both groups 100 %) were equal (p > 0.99). There were no significant differences between both groups regarding shrinkage of the dominant fibroid and the uterus and no relevant differences regarding patient-reported quality-of-life.

Conclusion A state-of-the-art angiography unit has the potential to reduce radiation exposure in patients undergoing UFE without increasing the risk of major complications and with comparably high morphological and clinical success.

Key Points 

Citation Format
Raman three-wave interaction in partially spin polarized plasma
Authors: Shahid M. , Iqbal Z. , Jamil M. , Murtaza G.
Published: September 2017

By employing the separate spin evolution-quantum hydrodynamic model (SSE-QHD), the nonlinear growth rate of the parametric decay instability is studied via the Raman scattering process of three-wave coupling. SSE-QHD equations are solved for the pump wave (O-mode), sideband Shear Alfvén wave, and the electron plasma perturbations. It is observed that the spectrum of the electron plasma waves is modified due to newly generated spin dependent waves which contribute in the coupling process. The nonlinear growth rate as a result of three wave coupling is plotted for different sets of parameters and conditions. It is also observed that the growth rate is suppressed due to the spin effects. Shifting of diamagnetic behavior of plasma to paramagnetic behavior is noticed.
Core-annular miscible two-fluid flow in a slippery pipe: A stability analysis
Authors: Chattopadhyay Geetanjali , Usha Ranganathan , Sahu Kirti Chandra
Published: September 2017

This study is motivated by the preliminary direct numerical simulations in double-diffusive (DD) core-annular flows with slip at the wall which displayed elliptical shaped instability patterns as in a rigid pipe case; however, slip at the pipe wall delays the onset of instability for a range of parameters and increases the phase speed. This increased our curiosity to have a thorough understanding of the linear stability characteristics of the miscible DD two-fluid flow in a pipe with slip at the pipe wall. The present study, therefore, addresses the linear stability of viscosity-stratified core-annular Poiseuille flow of miscible fluids with matched density in a slippery pipe in the presence of two scalars diffusing at different rates. The physical mechanisms responsible for the occurrence of instabilities in the DD system are explained through an energy budget analysis. The differences and similarities between core-annular flow in a slippery pipe and in a plane channel with velocity slip at the walls are explored. The stability characteristics are significantly affected by the presence of slip. The diffusivity effect is non-monotonic in a DD system. A striking feature of instability is that only a band of wavenumbers is destabilized in the presence of moderate to large inertial effects. Both the longwave and shortwave are stabilized at small Reynolds numbers. Slip exhibits a dual role of stabilizing or destabilizing the flow. The preliminary direct numerical simulations confirm the predictions of the linear stability analysis. The present study reveals that it may be possible to control the instabilities in core-annular pressure driven pipe flows by imposing a velocity slip at the walls.
Carrier diffusion in thin-film CH3NH3PbI3 perovskite measured using four-wave mixing
Authors: Webber D. , Clegg C. , Mason A. W. , March S. A. , Hill I. G. , Hall K. C.
Published: September 2017

We report the application of femtosecond four-wave mixing (FWM) to the study of carrier transport in solution-processed CH3NH3PbI3. The diffusion coefficient was extracted through direct detection of the lateral diffusion of carriers utilizing the transient grating technique, coupled with the simultaneous measurement of decay kinetics exploiting the versatility of the boxcar excitation beam geometry. The observation of the exponential decay of the transient grating versus interpulse delay indicates diffusive transport with negligible trapping within the first nanosecond following excitation. The in-plane transport geometry in our experiments enabled the diffusion length to be compared directly with the grain size, indicating that carriers move across multiple grain boundaries prior to recombination. Our experiments illustrate the broad utility of FWM spectroscopy for rapid characterization of macroscopic film transport properties.
Dispersion-driven instability of mixed convective flow in porous media
Authors: Emami-Meybodi Hamid
Published: September 2017

This paper investigates the impact of hydrodynamic dispersion on the stability of free convection in a saturated horizontal porous layer subject to a transient vertical concentration gradient and a steady horizontal background flow. A linear stability analysis (LSA) was conducted using the quasi-steady-state approximation to obtain neutral stability curves, critical times, and the corresponding wavenumbers as a function of dispersivity ratio (α) and longitudinal dispersion strength (β). The LSA results showed that the dispersive boundary layer becomes less unstable as longitudinal and transverse dispersivity increase. In addition, for the isotropic dispersive system with α = 1, the critical time and its corresponding wavenumber follow τc = 167.6/(1 − β) and κc = 0.0696 (1 − β), respectively. The nonlinear dynamics of the system were studied by examining the interaction of convective fingers, dissolution flux, and the time-dependent Sherwood number. Finally, the results were applied to 24 deep saline aquifers in the Alberta Basin.
Parameters of a runaway electron avalanche
Authors: Oreshkin E. V. , Barengolts S. A. , Oreshkin V. I. , Mesyats G. A.
Published: September 2017

The features of runaway electron avalanches developing in air at different pressures are investigated using a three-dimensional numerical simulation. The simulation results indicate that an avalanche of this type can be characterized, besides the time and length of its exponential growth, by the propagation velocity and by the average kinetic energy of the runaway electrons. It is shown that these parameters obey the similarity laws applied to gas discharges.
Effect of dust ion collision on dust ion acoustic waves in the framework of damped Zakharov-Kuznetsov equation in presence of external periodic force
Authors: Kanti Das Tushar , Ali Rustam , Chatterjee Prasanta
Published: September 2017

The dynamics of dust ion acoustic waves (DIAWs) is investigated in a magnetized dusty plasma whose constituents are cold ions, superthermal electrons, and dust particles in the framework of a damped Zakharov-Kuznetsov (dZK) equation in the presence of externally applied periodic force. The dZK equation is derived employing the standard reductive perturbation technique. The effect of dust ion collision on the quasiperiodic and chaotic motion of dust ion acoustic waves is discussed. It is observed that the collision frequency νid0 plays the role of a switching parameter from the quasiperiodic route to chaos for the DIAWs.
Nonlinear dynamics for estimating the tip radius in atomic force microscopy
Authors: Rull Trinidad E. , Gribnau T. W. , Belardinelli P. , Staufer U. , Alijani F.
Published: September 2017

The accuracy of measurements in Amplitude Modulation Atomic Force Microscopy (AFM) is directly related to the geometry of the tip. The AFM tip is characterized by its radius of curvature, which could suffer from alterations due to repetitive mechanical contact with the surface. An estimation of the tip change would allow the user to assess the quality during imaging. In this work, we introduce a method for tip radius evaluation based on the nonlinear dynamic response of the AFM cantilever. A nonlinear fitting procedure is used to match several curves with softening nonlinearity in the noncontact regime. By performing measurements in this regime, we are able to maximize the influence of the tip radius on the AFM probe response, and this can be exploited to estimate with good accuracy the AFM tip radius.