bluuebunny/crossref_metadata_2025 huggingface dataset:
Protein quantification and visualization via ultraviolet-dependent labeling with 2,2,2-trichloroethanol
Authors: Chopra Anand , Willmore William G. , Biggar Kyle K.
Published: September 2019

The incorporation of 2,2,2-trichloroethanol in polyacrylamide gels allows for fluorescent visualization of proteins following electrophoresis. Ultraviolet-light exposure, in the presence of this trichlorinated compound, results in a covalent modification of the tryptophan indole ring that shifts the fluorescent emission into the visible range. Based on this principle, we used 2,2,2-trichloroethanol to develop a microplate format protein quantification assay based on the fluorescent signal generated by modified proteins. We also demonstrated a specific fluorescent emission of 2,2,2-trichloroethanol-labeled protein at 450 nm, with a 310 nm excitation, resulting from modification of both tryptophan and tyrosine residues. Following optimization, this protein quantification assay displayed superior sensitivity when compared to UV absorbance at 280 nm (A280), and enabled quantification beyond the linear range permitted by the Bradford method. This 100 μL assay displayed a sensitivity of 10.5 μg in a range up to at least 200 μg. Furthermore, we extended the utility of this method through the development of a 20 μL low-volume assay, with a sensitivity of 8.7 μg tested up to 100 μg, which enabled visualization of proteins following SDS-PAGE. Collectively, these results demonstrate the utility of 2,2,2-trichloroethanol-based protein quantification and demonstrates the protein visualization in polyacrylamide gels based on 2,2,2-trichloroethanol-labeling pre-electrophoresis.
The influence of heterogeneous learning ability on the evolution of cooperation
Authors: Li Xiaogang , Geng Yini , Shen Chen , Shi Lei
Published: September 2019

In this paper, we design a simple coevolution model to investigate the role of heterogeneous learning ability on the evolution of cooperation. The model weakens the winner’s learning ability in order to keep its current advantage. Conversely, it strengthens the loser’s learning ability for increasing the chance to update its strategy. In particular, we consider this coevolutionary model separately applying to both cooperators and defectors (rule I), only cooperators (rule II), as well as only defectors (rule III) in spatial prisoner’s dilemma game. Through numerical simulations, we find that cooperation can be promoted in rule II, whereas, cooperation is hampered in rule I and rule III. We reveal its potential reason from the viewpoint of enduring and expanding periods in game dynamics. Our results thus provide a deeper understanding regarding the heterogeneous learning ability on game theory.
Geographical-origin discrimination and volatile oil quantitative analysis of Zanthoxylum bungeanum Maxim. with a portable near-infrared spectrometer
Authors: Fan Linhong , Huang Yongliang , Zhao Rong , Fan Wenxiang , Zhang Mengmeng , Zhang Hanyun , Yan Xiaojian , Li Liang , Wu Chunjie
Published: September 2019

Zanthoxylum bungeanum Maxim. (Z. bungeanum), widely grown in Asian countries, is a popular food additive and traditional Chinese medicine (TCM) in China.
Regenerative rehabilitation: exploring the synergistic effects of rehabilitation and implantation of a bio-functional scaffold in enhancing nerve regeneration
Authors: Lin Junquan , Anopas Dollaporn , Milbreta Ulla , Lin Po Hen , Chin Jiah Shin , Zhang Na , Wee Seng Kwee , Tow Adela , Ang Wei Tech , Chew Sing Yian
Published: September 2019

Combinatorial approach of rehabilitation and regeneration is essential for functional recovery.
The design of hollow PdO–Co3O4 nano-dodecahedrons with moderate catalytic activity for Li–O2 batteries
Authors: Zhang Yu , Ma Jie , Yuan Meng-Wei , Li Yang , Shen Rong-An , Cheong Weng-Chon , Han Tong , Sun Gen-Ban , Chen Chen , Nan Cai-Yun
Published: September 2019

Hollow PdO–Co3O4 nano-dodecahedrons can stably cycle for more than 90 cycles with a low overpotential as an electrocatalyst for Li–O2 batteries.
Correlation at two-dimensional charge-transfer FeSe interface
Authors: Huang Yulong , Hu Yong , Hu Feng , Yang Ruizhe , Li Changning , Armstrong Jason N. , Ren Shenqiang
Published: September 2019

The 2D FeSe hybrid interface exhibits charge transfer triggered strongly correlated phenomena under light illumination.
Monitoring fast chemical processes by reaction-interrupted excitation transfer (ExTra) NMR spectroscopy
Authors: Wagner Gabriel E. , Tassoti Sebastian , Glanzer Simon , Stadler Eduard , Herges Rainer , Gescheidt Georg , Zangger Klaus
Published: September 2019

ExTra NMR utilises selectively inverted magnetisation for in situ monitoring of fast chemical processes.
Thiyl radical promoted iron-catalyzed-selective oxidation of benzylic sp3 C–H bonds with molecular oxygen
Authors: Geng Shasha , Xiong Baojian , Zhang Yun , Zhang Juan , He Yun , Feng Zhang
Published: September 2019

A ligand-free iron-catalyzed method for the oxygenation of benzylic sp3 C–H bonds by molecular oxygen (1 atm) using a thiyl radical as a cocatalyst has been developed.
Enhanced photocatalytic hydrogen production from aqueous-phase methanol reforming over cyano-carboxylic bifunctionally-modified carbon nitride
Authors: Tan Hao , Kong Peng , Liu Meixian , Gu Xianmo , Zheng Zhanfeng
Published: September 2019

Polymeric carbon nitride is a promising candidate for metal-free photocatalysis, but it is hampered by low activity due to poor carrier separation efficiency and lack of active sites.
A tunable detection range of ion-selective nano-optodes by controlling solvatochromic dye transducer lipophilicity
Authors: Wang Lu , Bakker Eric
Published: September 2019

A range of ionic solvatochromic dye (SD) transducers for use in ion-selective emulsified optical sensors are introduced and characterized.
1H–31P HETCOR NMR elucidates the nature of acid sites in zeolite HZSM-5 probed with trimethylphosphine oxide
Authors: Bornes Carlos , Sardo Mariana , Lin Zhi , Amelse Jeffrey , Fernandes Auguste , Ribeiro Maria Filipa , Geraldes Carlos , Rocha João , Mafra Luís
Published: September 2019

2D 1H–31P NMR and DFT calculations extend the understanding of TMPO:Brønsted complexes formed at HZSM-5 zeolite surfaces, providing structural insight into the proton-transfer mechanism.
A NIR-emitting cyanine with large Stokes shifts for live cell imaging: large impact of the phenol group on emission
Authors: Dahal Dipendra , McDonald Lucas , Pokhrel Sabita , Paruchuri Sailaja , Konopka Michael , Pang Yi
Published: September 2019

A near-infrared (NIR) emitting (λem = 700–900 nm) molecular probe exhibits excellent selectivity towards mitochondria for live-cell imaging.
Boosting hydrogen evolution by using covalent frameworks of fluorinated cobalt porphyrins supported on carbon nanotubes
Authors: Xu Gelun , Lei Haitao , Zhou Guojun , Zhang Chaochao , Xie Lisi , Zhang Wei , Cao Rui
Published: September 2019

A covalent framework using fluorinated cobalt porphyrins is synthesized and shows significantly improved efficiency for the hydrogen evolution reaction in aqueous solution.
Comment on “Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications” by Safaei et al., Phys. Chem. Chem. Phys., 2019, 21, 8445
Authors: Mai Tam V.-T. , Huynh Lam K.
Published: September 2019

This communication resolves the disagreement in the chemical kinetics of the imidazole + OH reaction using a more rigorous master equation/Rice–Ramsperger–Kassel–Marcus rate model on a more comprehensive potential energy surface.
Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation
Authors: Da Silva Augusto C. H. , Caturello Naidel A. M. S. , Besse Rafael , Lima Matheus P. , Da Silva Juarez L. F.
Published: September 2019

The magic nanoflakes, obtained by the evaluation of the relative stability function, are n = 9 and 14 for all chemical compositions, whereas n = 12 is a magic number for WS2 and WSe2.
Transition of interfacial capacitors in electrowetting on a graphite surface by ion intercalation
Authors: Tang Biao , Shao Wan , Groenewold Jan , Li Hao , Feng Yancong , Xu Xuezhu , Shui Lingling , Barman Jitesh , Zhou Guofu
Published: September 2019

Intercalation of ions from the electrical double layer through the step edges of a graphite surface promoting the electrowetting modulation.
Tailored protective groups for surface immobilization of ruthenium dyes
Authors: Amthor Sebastian , Braun Hanna , Gröne Julius , Nauroozi Djawed , Jacob Timo , Rau Sven
Published: September 2019

Synthesis of a ruthenium based chromophore with a phosphonic acid silyl-ester is reported, which is immobilized onto a NiO surface showing fast initial adsorption, high stability towards desorption in aqueous media and enhanced DSC performance.
Removal of pharmaceuticals and personal care products (PPCPs) from water and wastewater using novel sulfonic acid (–SO3H) functionalized covalent organic frameworks
Authors: Hao Jun , Zhang Qianxin , Chen Ping , Zheng Xiaoshan , Wu Yuliang , Ma Dan , Wei Dandan , Liu Haijin , Liu Guoguang , Lv Wenying
Published: September 2019

This study describes a promising porous and efficient adsorbent, a sulfonic acid (-SO3H) functionalized covalent organic framework (COF-SO3H), for the removal of pharmaceuticals and personal care products (PPCPs) in water and wastewater.
Paper-based microfluidic aluminum–air batteries: toward next-generation miniaturized power supply
Authors: Shen Liu-Liu , Zhang Gui-Rong , Biesalski Markus , Etzold Bastian J. M.
Published: September 2019

Aluminum–air batteries with a unique paper-based microfluidic configuration are fabricated, and their superior discharging performance along with miniaturized size makes them feasible as next-generation power supplies for small electronic devices.
Prediction of the viscosity of imidazolium-based ionic liquids at different temperatures using the quantitative structure property relationship approach
Authors: Koi Zi Kang , Yahya Wan Zaireen Nisa , Abu Talip Ruwaida Asyikin , Kurnia Kiki Adi
Published: September 2019

A multilinear relationship between the viscosity and interaction energies using a stepwise model-building approach was applied to generate the correlation model.
Bimetallic Co/Al nanoparticles in an ionic liquid: synthesis and application in alkyne hydrogenation
Authors: Schmolke Laura , Gregori Bernhard J. , Giesen Beatriz , Schmitz Alexa , Barthel Juri , Staiger Lena , Fischer Roland A. , Jacobi von Wangelin Axel , Janiak Christoph
Published: September 2019

CoAl- and Co3Al-NPs are effective catalysts for alkyne-to-alkane hydrogenation with DIBAL-H as a co-catalyst under mild conditions (2 bar H2, 30 °C).
The properties of the sonochemically functionalized nonsteroidal anti-inflammatory drug ketorolac in an Fe3O4–graphene oxide nanocomposite
Authors: Fiadosenka Uladzimir , Matsukovich Anna , Tabulina Ljudmila , Labunov Vladimir , Radziuk Darya
Published: September 2019

A feasible sonochemical method is developed for the complexation of nonsteroidal anti-inflammatory drug ketorolac with the Fe3O4–graphene oxide nanocomposite.
Optical super-resolution microscopy unravels the molecular composition of functional protein complexes
Authors: Dietz Marina S. , Heilemann Mike
Published: September 2019

The molecular composition of functional protein complexes can be determined from single-molecule super-resolution images.
Constructing reduced graphene oxide/boron nitride frameworks in melamine foam towards synthesizing phase change materials applied in thermal management of microelectronic devices
Authors: Xue Fei , Jin Xin-zheng , Xie Xu , Qi Xiao-dong , Yang Jing-hui , Wang Yong
Published: September 2019

A new framework of reduced graphene oxide and boron nitride was constructed on the template of melamine foam. Its composite phase change materials exhibit excellent performances and can be applied in energy conversion and microelectronic device.
Two-dimensional MgX2Se4 (X = Al, Ga) monolayers with tunable electronic properties for optoelectronic and photocatalytic applications
Authors: Li Pengfei , Zhang Wei , Liang Changhao , Zeng Xiao Cheng
Published: September 2019

Two new two-dimensional (2D) layered materials, namely, MgX2Se4 (X = Al, Ga) monolayers, are predicted to possess novel electronic properties.
Thiophenol detection using an AIE fluorescent probe through self-assembly with TPE-based glycoclusters
Authors: Dong Lei , Chen Guo-Rong , He Xiao-Peng , Vidal Sébastien
Published: September 2019

While the original probe (TD-1) was not efficient enough, supramolecular self-assembly with a glycocluster (TPE2S or TPE4S) could restore and enhance its fluorescence detection properties.
Electrochemical properties of chromium oxyfluoride CrO2−xFx with 0 ≤ x ≤ 0.3
Authors: Mukai Kazuhiko , Uyama Takeshi , Yamada Ikuya
Published: September 2019

To overcome the limitations of graphite as a negative electrode material for lithium-ion batteries (LIBs), transition metal oxyfluorides are under active development.
A 3D electropolymerized thin film based on a thiophene-functionalized Ru(ii) complex: electrochemical and photoelectrochemical insights
Authors: Yang Tong , Zhang Chen-Xing , Li Yu-Jia , Fu Ying-Huan , Yin Zhi-Han , Gao Li-Hua , Wang Ke-Zhi
Published: September 2019

A 3D electropolymerized Ru(ii) complex film exhibited a rapid redox reaction and an oxygen reduction enhanced photocurrent which increased by 1.5 fold to 2.3 μA cm−2.
Concise synthesis of N-thiomethyl benzoimidazoles through base-promoted sequential multicomponent assembly
Authors: Tian Jingxin , Yuan Shanshan , Xiao Fuhong , Huang Huawen , Deng Guo-Jun
Published: September 2019

An efficient method for the synthesis of N-thiomethyl benzimidazoles from o-phenylenediamines, thiophenols, and aldehydes via C–N/C–S bond formation under metal-free conditions is described.
Iron phosphide nanoparticles as a pH-responsive T1 contrast agent for magnetic resonance tumor imaging
Authors: Qiu Yuan , Lin Weiwen , Wang Lili , Liu Rui , Xie Jiangao , Chen Xin , Yang Feifei , Huang Guoming , Yang Huanghao
Published: September 2019

In this work, the potential of FeP nanoparticles as a pH-responsive T1 contrast agent was investigated.
Correction: A dual photoredox-nickel strategy for remote functionalization via iminyl radicals: radical ring-opening-arylation, -vinylation and -alkylation cascades
Authors: Dauncey Elizabeth M. , Dighe Shashikant U. , Douglas James J. , Leonori Daniele
Published: September 2019

Correction for ‘A dual photoredox-nickel strategy for remote functionalization via iminyl radicals: radical ring-opening-arylation, -vinylation and -alkylation cascades’ by Elizabeth M. Dauncey et al., Chem. Sci., 2019, 10, 7728–7733.
Overshooting in simulations of compressible convection
Authors: Käpylä P. J.
Published: September 2019

Context.Convective motions that overshoot into regions that are formally convectively stable cause extended mixing.

Aims.We aim to determine the scaling of the overshooting depth (dos) at the base of the convection zone as a function of imposed energy flux (ℱn) and to estimate the extent of overshooting at the base of the solar convection zone.

Methods.Three-dimensional Cartesian simulations of hydrodynamic compressible non-rotating convection with unstable and stable layers were used. The simulations used either a fixed heat conduction profile or a temperature- and density-dependent formulation based on Kramers opacity law. The simulations covered a range of almost four orders of magnitude in the imposed flux, and the sub-grid scale diffusivities were varied so as to maintain approximately constant supercriticality at each flux.

Results.A smooth heat conduction profile (either fixed or through Kramers opacity law) leads to a relatively shallow power law withdos∝ ℱn0.08for low ℱn. A fixed step-profile of the heat conductivity at the bottom of the convection zone leads to a somewhat steeper dependency ondos∝ ℱn0.12in the same regime. Experiments with and without subgrid-scale entropy diffusion revealed a strong dependence on the effective Prandtl number, which is likely to explain the steep power laws as a function of ℱnreported in the literature. Furthermore, changing the heat conductivity artificially in the radiative and overshoot layers to speed up thermal saturation is shown to lead to a substantial underestimation of the overshooting depth.

Conclusions.Extrapolating from the results obtained with smooth heat conductivity profiles, which are the most realistic set-up we considered, suggest that the overshooting depth for the solar energy flux is about 20% of the pressure scale height at the base of the convection zone. This is two to four times higher than the estimates from helioseismology. However, the current simulations do not include rotation or magnetic fields, which are known to reduce convective overshooting.
Regularities in the spectrum of chaoticp-modes in rapidly rotating stars
Authors: Evano Benjamin , Lignières François , Georgeot Bertrand
Published: September 2019

Context.Interpreting the oscillations of massive and intermediate mass stars remains a challenging task. In fast rotators, the oscillation spectrum ofp-modes is a superposition of sub-spectra which corresponds to different types of modes, among which island modes and chaotic modes are expected to be the most visible. This paper is focused on chaotic modes, which have not been thoroughly studied before.

Aims.We study the properties of high frequency chaoticp-modes in a polytropic model. Unexpected peaks appear in the frequency autocorrelations of the spectra. Our goal is to find a physical interpretation for these peaks and also to provide an overview of the mode properties.

Methods.We used the 2D oscillation code “TOP” to produce the modes and acoustic ray simulations to explore the wave properties in the asymptotic regime. Using the tools developed in the field of quantum chaos (or wave chaos), we derived an expression for the frequency autocorrelation involving the travel time of acoustic rays.

Results.Chaotic mode spectra were previously thought to be irregular, that is, described only through their statistical properties. Our analysis shows the existence, in chaotic mode spectra, of a pseudo large separation. This means that chaotic modes are organized in series, such that the modes in each series follow a nearly regular frequency spacing. The pseudo large separation of chaotic modes is very close to the large separation of island modes. Its value is related to the sound speed averaged over the meridional plane of the star. In addition to the pseudo large separation, other correlations appear in the numerically calculated spectra. We explain their origin by the trapping of acoustic rays near the stable islands.
Constraining disk evolution prescriptions of planet population synthesis models with observed disk masses and accretion rates
Authors: Manara C. F. , Mordasini C. , Testi L. , Williams J. P. , Miotello A. , Lodato G. , Emsenhuber A.
Published: September 2019

While planets are commonly discovered around main-sequence stars, the processes leading to their formation are still far from being understood. Current planet population synthesis models, which aim to describe the planet formation process from the protoplanetary disk phase to the time exoplanets are observed, rely on prescriptions for the underlying properties of protoplanetary disks where planets form and evolve. The recent development in measuring disk masses and disk-star interaction properties, i.e., mass accretion rates, in large samples of young stellar objects demand a more careful comparison between the models and the data. We performed an initial critical assessment of the assumptions made by planet synthesis population models by looking at the relation between mass accretion rates and disk masses in the models and in the currently available data. We find that the currently used disk models predict mass accretion rate in line with what is measured, but with a much lower spread of values than observed. This difference is mainly because the models have a smaller spread of viscous timescales than what is needed to reproduce the observations. We also find an overabundance of weakly accreting disks in the models where giant planets have formed with respect to observations of typical disks. We suggest that either fewer giant planets have formed in reality or that the prescription for planet accretion predicts accretion on the planets that is too high. Finally, the comparison of the properties of transition disks with large cavities confirms that in many of these objects the observed accretion rates are higher than those predicted by the models. On the other hand, PDS70, a transition disk with two detected giant planets in the cavity, shows mass accretion rates well in line with model predictions.
Bönninghausen-Forschung im Spiegel der ZKH und AHZ seit 1985
Authors: Lucae Christian
Published: September 2019

Die „Bönninghausen-Methode“ ist in ihrer jetzigen Ausprägung erst in den letzten Jahrzehnten entstanden. Die Herausgabe einer revidierten Version des „Therapeutischen Taschenbuches“ im Jahre 2000 hat wesentlich zur Renaissance der Methode beigetragen, ebenso die Entwicklung der Polaritätsanalyse mitsamt zugehöriger Software. Außerdem sind einige theoretische Arbeiten erschienen, die die Methode an vielen Punkten aufgearbeitet und präzisiert haben. Viele Beiträge dazu sind in der ZKH und der AHZ nachzulesen. Ausgewählte Arbeiten, die einen wesentlichen Beitrag zur Weiterentwicklung geleistet haben, sollen im vorliegenden Artikel schlaglichtartig vorgestellt werden.
Worst-Case-Szenario: Akutes Koronarsyndrom unter Chemotherapie und moderner Supportivtherapie
Authors: Holzhauer Peter
Published: September 2019

Eine 47-jährige Patientin in gutem Allgemeinzustand und ohne bekannte kardiologische Komorbidität wird notfallmäßig mit einem akuten Koronarsyndrom auf einer Intensivstation aufgenommen. Als Grunddiagnose ist ein mit Pankreas-Linksresektion kurativ behandeltes Pankreaskarzinom bekannt. Die Patientin wird postoperativ mit insgesamt 12 Zyklen adjuvanter Chemotherapie nach dem FOLFIRINOX-Protokoll gemäß der PRODIGE-Studie therapiert 1. Zur Vermeidung einer Neutropenie (Risiko > 20%) wurde nach dem ersten und dem zweiten Zyklus jeweils ein Tag nach der Chemotherapie prophylaktisch G-CSF als Lipegfilgrastim appliziert 3. Gleichzeitig lag eine schon länger bekannte Thrombozytose bei Zustand nach Splenektomie vor. Die Patientin war während der Tage des stationären Aufenthaltes mit Enoxaparin antikoaguliert. Die kardiologische Akutdiagnostik ergab ein akutes Koronarsyndrom mit thromboembolischem Verschluss mehrerer Koronararterien, ohne dass eine koronare Herzkrankheit vorlag. Die Patientin wurde kardiologisch interventionell erfolgreich therapiert und konnte zuletzt auch den 12. Zyklus der adjuvanten Chemotherapie komplikationslos abschließen.
Patient and Physician Perceptions of the Impact of Electronic Health Records on the Patient–Physician Relationship
Authors: Eberts Margaret , Capurro Daniel
Published: September 2019

Objectives Limited studies have been performed in South America to assess patient and physician perceptions of electronic health record (EHR) usage. We aim to study the perceptions of patients and physicians regarding the impact of EHRs on the patient–physician relationship.

Methods We use a survey instrument to assess the physician computer experience and opinions regarding EHR impact on various aspects of patient care. An additional survey is used to assess patient opinions related to their medical visit. Surveys are administered in two outpatient clinics in a private, academic health care network.

Results While a majority of physicians believed that EHRs have an overall positive impact on the quality of health care, many physicians had negative perceptions of the impact of EHRs on the patient–physician relationship. A majority of patients felt comfortable with their physician's use of the EHR and felt that their physician was able to maintain good personal contact while using the computer.

Conclusion Although physicians believe EHRs have a generally positive impact on the overall quality of care, the EHR's impact on the patient–physician relationship is still of concern. Patients do not perceive a negative interference from the EHR on the patient–physician relationship.
Classification and Management of Donor-Site Wound Complications in the Profunda Artery Perforator Flap for Breast Reconstruction
Authors: Cho Min-Jeong , Teotia Sumeet S. , Haddock Nicholas T.
Published: September 2019

Background Profunda artery perforator (PAP) flap breast reconstruction has emerged as a popular choice for patients who are not optimal candidates for autologous breast reconstruction using abdominal-based techniques such as the deep inferior epigastric perforator flap. Despite increased utilization of PAP flaps, there are no previous studies on the donor-site morbidity. In this study, we present risk factors, classification of thigh wounds, and our management of donor-site wounds.

Methods Retrospective review of 69 patients who underwent PAP flap from 2013 to 2016 was performed. Demographic, patient characteristic, and flap data were collected. Postoperative photographs of donor sites were reviewed, and the wounds were classified into three types: type I—normal wound, type II—minor scab, and type III—dehiscence.

Results Of the 69 patients (130 flaps), there were 13 patients (17 flaps) with wound dehiscence (13%), 8 patients with cellulitis (8.5%), 2 patients with seroma (3%), and 1 patient with hematoma (1.5%). The patients with wound dehiscence had statistically higher body mass index (BMI) (29.2 vs. 26.5) with p-value < 0.05 than the patients without wound complications. These patients had higher flap weight (514 vs. 439.7 g), were older (50.8 vs. 48.6 years old), and had a higher chance of being a diabetic (6 vs. 2%), but statistical significance was not achieved. The patients with dehiscence were managed with local wound care (63%), wound vacuum (26%), and operative intervention (11%).

Conclusion Our study shows that BMI plays a significant role in the development of postoperative thigh wounds, and all wounds occurred at the medial thigh. However, the majority of the study population did not require any intervention, and revision of scar using the posterior thigh advancement flaps can be used to improve the gluteal aesthetics. We believe findings from our study can help plastic surgeons to counsel and assist patients who will undergo breast reconstruction with a PAP flap.
Crossover from synaptic to neuronal functionalities through carrier concentration control in Nb-doped SrTiO3-based organic ferroelectric tunnel junctions
Authors: Majumdar Sayani , Tan Hongwei , Pande Ishan , van Dijken Sebastiaan
Published: September 2019

The development of neuromorphic architectures depends on the engineering of new functional materials and material interfaces. Here, we present a study on organic ferroelectric tunnel junctions (FTJs) comprising a metal/ferroelectric/semiconductor stack with varying charge carrier density in the semiconducting electrode and demonstrate fast, volatile switching behavior when the bound polarization charges in the tunnel barrier are insufficiently screened. The manipulation of ferroelectric polarization and depolarization dynamics in our FTJs through pulse magnitude, duration, and delay time constitutes a controlled transition from synaptic behavior to integrate-and-fire neuronal activity. This ability to tune the response of a single memristor device via charge carrier optimization opens pathways for the design of smart electronic neurons.
Application of the Tikhonov tomography method for the gas electron multiplier (GEM) system on experimental advanced superconducting tokamak
Authors: Qu Huoxiang , Hu Liqun , Cordella F. , Claps G. , Pacella D. , Xu Liqin , Li Erzhong
Published: September 2019

A novel GEM (Gas Electron Multiplier) system has been installed on experimental advanced superconducting tokamak (EAST) which is used for collecting the line integral of the soft X-ray radiation (SXR) through a pinhole-collimated Beryllium window. The sightline of the 2-D GEM system is tangential to the toroidal field. To obtain the local SXR emission, the Tikhonov algorithm is applied for the imaging of the poloidal cross section emission in the vacuum vessel. In the meanwhile, the L-curve method is used to find an optimized solution of the regularization parameters. The tomography reliability has been tested with a known emission function where the error is also discussed. The tomography method has been coded as a graphic user interface for the fast analysis of GEM experimental data. The typical tomography results have been shown for the EAST shot (#79282) in this paper.
Behavioral modeling of integrated phase-change photonic devices for neuromorphic computing applications
Authors: Carrillo Santiago G.-C. , Gemo Emanuele , Li Xuan , Youngblood Nathan , Katumba Andrew , Bienstman Peter , Pernice Wolfram , Bhaskaran Harish , Wright C. David
Published: September 2019

The combination of phase-change materials and integrated photonics has led to the development of new forms of all-optical devices, including photonic memories, arithmetic and logic processors, and synaptic and neuronal mimics. Such devices can be readily fabricated into photonic integrated circuits, so potentially delivering large-scale all-optical arithmetic-logic units and neuromorphic processing chips. To facilitate in the design and optimization of such large-scale systems, and to aid in the understanding of device and system performance, fast yet accurate computer models are needed. Here, we describe the development of a behavioral modeling tool that meets such requirements, being capable of essentially instantaneous modeling of the write, erase, and readout performance of various integrated phase-change photonic devices, including those for synaptic and neuronal mimics.
Capturing the photo-induced dynamics of nano-molecules by X-ray free electron laser induced Coulomb explosion
Authors: Yamazaki Kaoru , Niitsu Naoyuki , Kanno Manabu , Ueda Kiyoshi , Kono Hirohiko
Published: September 2019

We performed reaction dynamics simulations to demonstrate that the vibrational dynamics of C60 induced by infrared (IR) pulses can be traced by triggering Coulomb explosion with intense femtosecond X-ray free electron laser (XFEL) probe pulses. The time series of the angular anisotropy β(t) of fast C+ and C2+ fragments of C6060+ produced by such an XFEL pulse reflects the instantaneous structure of C60 vibrationally excited by IR pulses. The phases and amplitudes of excited vibrational modes and the coupling between excited modes can be successfully extracted from the expansion of β(t) in terms of vibrational modes. This proof-of-principle simulation clearly demonstrates that various information of the structures and reaction dynamics of large clusters or biomolecules can be retrieved by decomposing the experimentally determined β(t) into vibrational modes.
Turbulent drag reduction in Taylor-Couette flows using different super-hydrophobic surface configurations
Authors: Naim M. S. , Baig M. F.
Published: September 2019

Turbulent drag reduction (DR) in an incompressible Taylor-Couette flow configuration using different patterns of “idealized” superhydrophobic surfaces (SHS) on rotating inner-wall is investigated using direct numerical simulations (DNS). Three dimensional DNS studies based on the finite difference method in cylindrical annuli of aspect ratio (Γ) = 6.0 and radius ratios (η) = 0.5 and 0.67 have been performed at Reynolds numbers (Re) 4000 and 5000. The SHS comprised of streamwise or azimuthal microgrooves (MG), spanwise or longitudinal MG, grooves inclined to the streamwise direction (spiral), and microposts. The SHS have been modeled as shearfree areas. We were able to achieve a maximum DR up to 34% for the streamwise aligned SHS, while we got drag enhancement of 4% for the spiral SHS at η = 0.67. The SHS cause slip at the wall as well as near-wall turbulence modification, both governing the DR. We have tried to understand the role of the effective slip and modified turbulence dynamics responsible for DR by analyzing the statistics of mean flow, velocity fluctuations, Reynolds stresses, turbulence kinetic energy (TKE), and near-wall streaks. Most of the results show enhanced production of near-wall streamwise velocity fluctuations and TKE resulting in near-wall turbulence enhancement, yet we observed DR for most of the cases, thereby implying slip to be the dominant contributor to DR in comparison to modified near-wall turbulence.
First-principles study of the structural, electronic, magnetic, and ferroelectric properties of a charge-ordered iron(ii)-iron(iii) formate framework
Authors: Tang Gang , Ren Wei , Hong Jiawang , Stroppa Alessandro
Published: September 2019

Density functional theory calculations have been performed for the structural, electronic, magnetic, and ferroelectric properties of a mixed-valence Fe(ii)–Fe(iii) formate framework [NH2(CH3)2][FeiiiFeii(HCOO)6]. Recent experiments report a spontaneous electric polarization, and our calculations are in agreement with the reported experimental value. Furthermore, we shed light onto the microscopic mechanism leading to the observed value, as well as on how to possibly enhance the polarization. The interplay between charge ordering, dipolar ordering of DMA+ cations, and the induced structural distortions suggest new interesting directions to explore in these complex multifunctional hybrid perovskites.
Accelerating deep reinforcement learning strategies of flow control through a multi-environment approach
Authors: Rabault Jean , Kuhnle Alexander
Published: September 2019

Deep Reinforcement Learning (DRL) has recently been proposed as a methodology to discover complex active flow control strategies [Rabault et al., “Artificial neural networks trained through deep reinforcement learning discover control strategies for active flow control,” J. Fluid Mech. 865, 281–302 (2019)]. However, while promising results were obtained on a simple 2-dimensional benchmark flow at a moderate Reynolds number, considerable speedups will be required to investigate more challenging flow configurations. In the case of DRL trained with Computational Fluid Dynamics (CFD) data, it was found that the CFD part, rather than training the artificial neural network, was the limiting factor for speed of execution. Therefore, speedups should be obtained through a combination of two approaches. The first one, which is well documented in the literature, is to parallelize the numerical simulation itself. The second one is to adapt the DRL algorithm for parallelization. Here, a simple strategy is to use several independent simulations running in parallel to collect experiences faster. In the present work, we discuss this solution for parallelization. We illustrate that perfect speedups can be obtained up to the batch size of the DRL agent, and slightly suboptimal scaling still takes place for an even larger number of simulations. This is, therefore, an important step toward enabling the study of more sophisticated fluid mechanics problems through DRL.
A mechano-reactive coarse-grained model of the blood-clotting agent von Willebrand factor
Authors: Dong Chuqiao , Kania Sagar , Morabito Michael , Zhang X. Frank , Im Wonpil , Oztekin Alparslan , Cheng Xuanhong , Webb Edmund B.
Published: September 2019

The von Willebrand Factor (vWF) is a large blood glycoprotein that aids in hemostasis. Within each vWF monomer, the A2 domain hosts a cleavage site for enzyme ADAMTS13, which regulates the size of vWF multimers. This cleavage site can only be exposed when an A2 domain unfolds, and the unfolding reaction energy landscape is highly sensitive to the force conditions on the domain. Based on previous optical tweezer experimental results, we advance here a new activated A2 monomer model (AA2MM) for coarse-grained modeling of vWF that accurately represents the force-based probabilistic change between the unfolded/refolded states. A system of springs is employed to mimic the complex mechanical response of vWF monomers subject to pulling forces. AA2MM was validated by comparing monomer scale simulation results to data from prior pulling experiments on vWF monomer fragments. The model was further validated by comparing multimer scale Brownian dynamics simulation results to experiments using microfluidic chamber microscopy to visualize tethered vWF proteins subject to flow. The A2 domain unfolding reaction was studied in bulk flow simulations (pure shear and elongation flow), giving evidence that elongational flow drives the vWF size regulation process in blood. The mechanoreactive, coarse-grained AA2MM accurately describes the complex mechanical coupling between human blood flow conditions and vWF protein reactivity.
Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li2+
Authors: Yang Likun , Reimers Jeffrey R. , Kobayashi Rika , Hush Noel S.
Published: September 2019

Attosecond and femtosecond spectroscopies present opportunities for the control of chemical reaction dynamics and products, as well as for quantum information processing; we address the somewhat unique situation of core-ionization spectroscopy which, for dimeric chromophores, leads to strong valence charge localization and hence tightly paired potential-energy surfaces of very similar shape. Application is made to the quantum dynamics of core-ionized Li2+. This system is chosen as Li2 is the simplest stable molecule facilitating both core ionization and valence ionization. First, the quantum dynamics of some model surfaces are considered, with the surprising result that subtle differences in shape between core-ionization paired surfaces can lead to dramatic differences in the interplay between electronic charge migration and charge transfer induced by nuclear motion. Then, equation-of-motion coupled-cluster calculations are applied to determine potential-energy surfaces for 8 core-excited state pairs, calculations believed to be the first of their type for other than the lowest-energy core-ionized molecular pair. While known results for the lowest-energy pair suggest that Li2+ is unsuitable for studying charge migration, higher-energy pairs are predicted to yield results showing competition between charge migration and charge transfer. Central is a focus on the application of Hush’s 1975 theory for core-ionized X-ray photoelectron spectroscopy to understand the shapes of the potential-energy surfaces and hence predict key features of charge migration.
An electromagnetic galloping energy harvester with double magnet design
Authors: Le Hai Dang , Kwon Soon-Duck
Published: September 2019

This paper proposes an electromagnetic device equipped with a double magnet design that can harvest energy from natural, low-speed wind (global average of 3.28 m/s). The tip prism activated by aeroelastic galloping is equipped with four magnets arranged in an opposing-pole formation, producing a concentrated magnetic-flux gradient through the coil without requiring mechanical links. A prototype device (110 × 105 × 25 mm3) is tested in a wind tunnel and analyzed by numerical simulation. The device begins to provide power at a wind speed of 1.5 m/s, producing an average electrical power output of 1.41 mW at 4 m/s. This configuration is notable for its extreme simplicity.
On the existence of local classical solutions to the Navier-Stokes equations with degenerate viscosities
Authors: Luo Z. , Zhou Y.
Published: September 2019

In this paper, we consider the three-dimensional Cauchy problem of compressible Navier-Stokes equations with degenerate viscosities depending on density. With the initial data containing vacuum at far fields, we prove the local existence of regular solutions with some compatibility conditions. The regular solution is classical due to the smoothing effect of the velocity u.
Evolution of surface morphology and optical transmittance of single crystal diamond film by epitaxial growth
Authors: Zhang Zhengqiang , Song Yatong , Gou Li
Published: September 2019

The single crystal diamond (SCD) has great potential in the application of optical windows, photoelectric devices, semiconductors and other fields owing to its excellent performance in optics, mechanics, and thermotics. The SCD was homoepitaxially deposited on High Pressure and High Temperature (HPHT) seed substrate through microwave plasma chemical vapor deposition (MPCVD) method using CH4/H2 as the reaction gas. Hydrogen plasma treatment was proposed to pretreat the seed crystal. The top surface of the epitaxial layer of SCD has a creased morphology and no polycrystalline rim growth on the side. The results showed that the transmittance of the epitaxial SCD film was primarily affected by the surface roughness, which was mainly influenced by the growth time. The photoluminescence at 738 nm was attributed to the silicon color center in the grown SCD, suggesting the application in optoelectronic devices.
A stick-slip/inchworm hybrid rotary piezo motor based on a symmetric triangular driving mechanism
Authors: Zhang Yangkun , Wang Meilin , Cheng Yang , Zheng Dongdong , Peng Yuxin
Published: September 2019

A stick-slip/inchworm hybrid rotary piezomotor based on a symmetric triangular driving mechanism, which can simultaneously achieve the benefits of both stick-slip and inchworm motors, was reported in this letter. It is based on the principle of stick-slip motors, and, inspired by the clamping-releasing actions from inchworm motors, it employs a symmetric triangular driving mechanism to generate a clamping action during the stick phase and a releasing action during the slip phase. Compared with stick-slip motors, it involves a clamping action during the stick phase and a releasing action during the slip phase, thus resulting in a larger driving force. Compared with inchworm motors, which require active control and coordination of clamping/releasing modules with feeding modules, it involves the control and operation of only one feeding piezoactuator without any actively controlled clamping/releasing module. Therefore, the control is easier, and a much larger operation frequency and driving speed can be achieved. Under the sawtooth waveform voltage of 90 V at 2600 Hz with a self-holding torque of 4 N m, the prototype achieved a no-load speed higher than 0.6 rad/s, a load torque capacity larger than 1.8 N m, and a weight carrying capacity more than 100 kg for both clockwise and anticlockwise directions. Compared with load torque capacity and weight carrying capacity in the reported stick-slip and inchworm rotary piezomotors, the current levels in terms of the same driving speed have been improved over 60 times and 12 times, respectively, in the proposed hybrid motor.
The interfacial zone in thin polymer films and around nanoparticles in polymer nanocomposites
Authors: Zhang Wengang , Emamy Hamed , Pazmiño Betancourt Beatriz A. , Vargas-Lara Fernando , Starr Francis W. , Douglas Jack F.
Published: September 2019

We perform coarse-grained simulations of model unentangled polymer materials to quantify the range over which interfaces alter the structure and dynamics in the vicinity of the interface. We study the interfacial zone around nanoparticles (NPs) in model polymer-NP composites with variable NP diameter, as well as the interfacial zone at the solid substrate and free surface of thin supported polymer films. These interfaces alter both the segmental packing and mobility in an interfacial zone. Variable NP size allows us to gain insight into the effect of boundary curvature, where the film is the limit of zero curvature. We find that the scale for perturbations of the density is relatively small and decreases on cooling for all cases. In other words, the interfaces become more sharply defined on cooling, as naively expected. In contrast, the interfacial mobility scale ξ for both NPs and supported films increases on cooling and is on the order of a few nanometers, regardless of the polymer-interfacial interaction strength. Additionally, the dynamical interfacial scale of the film substrate is consistent with a limiting value for polymer-NP composites as the NP size grows. These findings are based on a simple quantitative model to describe the distance dependence of relaxation that should be applicable to many interfacial polymer materials.
Study of melting transition on biphenyl by Raman scattering
Authors: Mei Hong-Ying , Yao Ru-Xian , Chen Fu-Jun , Zheng Xin-Yan , Chen Xiao-Hui , Liu Fang , Yin Yue
Published: September 2019

Vibrational properties of the biphenyl at around the melting transition temperature are investigated by Raman scattering. Nearly all the vibrational modes exhibit anomalous changes on the frequency, width, and intensity at around the melting temperature. The librational modes disappear at above the melting temperature. The energy separations between the 1220 and 1280 cm−1 modes and between the modes at around 1600 cm−1, as well as the intensity ratio of the last two modes, all show anomalous changes at around the melting transition temperature.
Nonlinear interaction and coalescence features of oscillating bubble pairs: Experimental and numerical study
Authors: Li Tong , Zhang A-Man , Wang Shi-Ping , Chen Guo-Qing , Li Shuai
Published: September 2019

Nonlinear interaction and coalescence features of oscillating bubble pairs are investigated experimentally and numerically. The spark technique is used to generate in-phase bubble pairs with similar size and the simulation is performed with the compressible volume of fluid (VOF) solver in OpenFOAM. The initial conditions for the simulation are determined from the reference case, where the interbubble distance is sufficiently large and the spherical shape is maintained at the moment of maximum volume. Although the microscopic details of the coalescing behaviors are not focused, the compressible VOF solver reproduces the important features of the experiment and shows good grid convergence. We systematically investigate the effects of the dimensionless interbubble distance γ (scaled by the maximum bubble radius) and define three different coalescing patterns, namely, coalescence due to the expansion in the first cycle for γ < 1.1 (Pattern I), bubble breaking up and collapsing together with coalescence at the initial rebounding stage for 1.1 < γ < 2.0 (Pattern II), and coalescence of the rebounding toroidal bubbles for 2.0 < γ < 3.65 (Pattern III). For Pattern I, prominent gas flow and velocity fluctuation can be observed in the coalescing region, which may induce the annular protrusion in the middle of the coalesced bubble. For Patterns II and III, migration of the bubbles toward each other during the collapsing and rebounding stages greatly facilitates the bubble coalescence.
Comparing theory and simulation for thermo-osmosis
Authors: Proesmans Karel , Frenkel Daan
Published: September 2019

We report a numerical study of thermo-osmotic slip, i.e., the particle flux induced by a thermal gradient along a solid-fluid interface. To facilitate comparison with theory, we consider a model of an ideal but viscous gas. We compare three numerical routes to obtain the slip coefficient: (1) by using the Onsager reciprocity relations, (2) by using the appropriate Green-Kubo relation, and (3) via the excess enthalpy. The numerical results are found to be mutually consistent and to agree with the theoretical prediction based on the assumption that hydrodynamics and thermodynamics are locally valid.