bluuebunny/crossref_metadata_2025 huggingface dataset:
Tunable optical metamaterial-based sensors enabled by closed bipolar electrochemistry
Authors: Crouch Garrison M. , Oh Christiana , Fu Kaiyu , Bohn Paul W.
Published: September 2019

Closed bipolar electrochemistry to couple an analytical reaction to an optical readout by the reconfiguration of an optical metamaterial.
An initial estimation method using cosine similarity for multivariate curve resolution: application to NMR spectra of chemical mixtures
Authors: Nagai Yuya , Sohn Woon Yong , Katayama Kenji
Published: September 2019

Mixture spectra is decomposed into pure spectra without prior knowledge, and the MCR calculation refines the spectra and provides the concentrations.
A catalytic DNA circuit-programmed and enzyme-powered autonomous DNA machine for nucleic acid detection
Authors: Liu Shuang , Xin Chen , Yu Xiaoxiao , Ding Zhenbo , Liu Shufeng
Published: September 2019

A catalytic DNA circuit-programmed and enzyme-powered autonomous DNA machine was proposed for one-step, isothermal and dual-level amplified detection of nucleic acids.
Direct analysis and monitoring of organosulphur compounds in the gaseous phase using portable mass spectrometry
Authors: Giannoukos Stamatios , Brkić Boris , Taylor Stephen
Published: September 2019

Organosulphides are ubiquitous in the natural world and are important in the agriculture, pharmaceuticals and petrochemical sectors.
Control of CRISPR-Cas9 with small molecule-activated allosteric aptamer regulating sgRNAs
Authors: Lin Bingqian , An Yuan , Meng Lingyan , Zhang Huimin , Song Jia , Zhu Zhi , Liu Wen , Song Yanling , Yang Chaoyong
Published: September 2019

We developed small molecule-activated allosteric aptamer regulating sgRNAs to control CRISPR-Cas9 with minimal interference to the sgRNA structure and high universality.
Halogenated anilines as novel natural products from a marine biofilm forming microalga
Authors: Baumeister Tim U. H. , Staudinger Mona , Wirgenings Marino , Pohnert Georg
Published: September 2019

A microalga produces the toxic halogenated anilines 2,4,6-tribromoaniline, 2,4,6-trichloroaniline and their dibromochloro and bromodichloro derivatives that were considered as compounds of exclusive synthetic origin.
Visible photocatalysis of novel oxime phosphonates: synthesis of β-aminophosphonates
Authors: Li Yong-Hong , Wang Chun-Hai , Gao Su-Qian , Qi Feng-Ming , Yang Shang-Dong
Published: September 2019

A novel oxime phosphonate was synthesized and used in the difunctionalization of alkenes to access β-functionalized phosphonatesviavisible-light-drivenN-centered iminyl radical-mediated multiple bond cleavage and a recombination process.
Transition-metal-free Intramolecular C–H amination of sulfamate esters andN-alkylsulfamides
Authors: Kiyokawa Kensuke , Nakamura Shogo , Jou Keisuke , Iwaida Kohji , Minakata Satoshi
Published: September 2019

The transition-metal-free intramolecular C–H amination of sulfamate esters andN-alkylsulfamides using iodine oxidants,tert-butyl hypoiodite (t-BuOI) andN-iodosuccinimide (NIS) is reported.
Evidence for a photoinduced isonitrosyl isomer in ruthenium dinitrosyl compounds
Authors: Schaniel Dominik , Casaretto Nicolas , Bendeif El-Eulmi , Woike Theo , Gallien Anna K. E. , Klüfers Peter , Kutniewska Sylwia E. , Kamiński Radosław , Bouchez Guillaume , Boukheddaden Kamel , Pillet Sébastien
Published: September 2019

Photo-induced NO rotation from N-bound (blue) to O-bound (red) with blue light at 100 K in the compound [Ru(NO)2(PCy3)2Cl]BF4.
Probing self-associated intermolecular H-bonding using low-frequency SERS coupled with mid-IR SERS and DFT study: a case study of 2-MBA adsorbed on ZnO nanoparticles
Authors: Prakash Om , Singh Ranjan K.
Published: September 2019

In the present study, low-frequency SERS is reported for the first time to investigate intermolecular interactions.
NbB12−: a new member of half-sandwich type doped boron clusters with high stability
Authors: Ren Mengxue , Jin Siyu , Wei Donghe , Jin Yuanyuan , Tian Yonghong , Lu Cheng , Gutsev Gennady L.
Published: September 2019

The global minimum structure of a NbB12− cluster of half-sandwich type.
Nanoparticles' interactions with vasculature in diseases
Authors: Tee Jie Kai , Yip Li Xian , Tan Eveline Sheau , Santitewagun Supawan , Prasath Arun , Ke Pu Chun , Ho Han Kiat , Leong David Tai
Published: September 2019

The ever-growing use of inorganic nanoparticles (NPs) in biomedicine provides an exciting approach to develop novel imaging and drug delivery systems, owing to the ease with which these NPs can be functionalized to cater to the various applications.
Bi-functional Ru/Ca3Al2O6–CaO catalyst-CO2 sorbent for the production of high purity hydrogen via sorption-enhanced steam methane reforming
Authors: Kim Sung Min , Abdala Paula M. , Hosseini Davood , Armutlulu Andac , Margossian Tigran , Copéret Christophe , Müller Christoph
Published: September 2019

Sorption-enhanced steam methane reforming (SE-SMR) combines steam methane reforming and a CO2 abstraction reaction to yield high purity hydrogen.
Dinuclear CoIIYIIIvs.tetranuclear CoII2YIII2 complexes: the effect of increasing molecular size on magnetic anisotropy and relaxation dynamics
Authors: Masegosa Alberto , Palacios María A. , Ruiz Eliseo , Gómez-Coca Silvia , Krzystek J. , Moreno José M. , Colacio Enrique
Published: September 2019

The lower distortion of the CoIIions in the new tetranuclear CoII2YIII2 complex leads to a larger magnetic anisotropy than in its CoIIYIIIcounterparts, whereas its larger size and flexibility seem to promote a faster relaxation dynamic.
2D nanocrystalline ternary selenides Cu2MSe4 (M = Mo/W)
Authors: Li Minyuan M. , Ivanov Sergei A.
Published: September 2019

A high-temperature metathesis reaction between CuBr and [Ph4P]2MSe4 (M = Mo or W) gave rise to nanocrystalline Cu2MSe4 with a phase-pure M = Mo compound that was obtained for the first time.
Chemoselective reduction of aldehydes via a combination of NaBH4 and acetylacetone
Authors: Sui Guoqing , Lv Qingyun , Song Xiaoqing , Guo Huihui , Dai Jiatong , Ren Li , Lee Chi-Sing , Zhou Wenming , Hao Hong-Dong
Published: September 2019

A bench-stable combination of NaBH4–acetylacetone was developed for the efficient chemoselective reduction of aldehydes in the presence of ketones.
The preparation and characterization of UiO-66 metal–organic frameworks for the delivery of the drug ciprofloxacin and an evaluation of their antibacterial activities
Authors: Nasrabadi Mohaddeseh , Ghasemzadeh Mohammad Ali , Zand Monfared Mohammad Reza
Published: September 2019

In recent years, metal–organic frameworks have been extensively used as drug carriers due to their benefits.
Development of novel triazole based dendrimer supported spiroborate chiral catalysts for the reduction of (E)-O-benzyl oxime: an enantioselective synthesis of (S)-dapoxetine
Authors: Anandhan Ramasamy , Reddy Mandapati Bhargava , Sasikumar Murugesan
Published: September 2019

A reusable dendrimer supported spiroborate catalysts 2 and 3 have been synthesized via a “click” chemistry and demonstrated as catalysts for the reduction of (E)-O-benzyl oxime 13 to synthesis of (S)-dapoxetine 14 with 94% ee and 46% overall yield.
Reactivities of zero-valent group 10 complexes toward organic isocyanates: synthesis of metallacycles containing dimeric isocyanate units, isocyanate cyclotrimerization, and computational chemistry
Authors: Han Young-Sung , Jung Kang-Yeoun , Kim Yong-Joo , Baeck Kyoung Koo , Lee Gang Min , Lee Soon W.
Published: September 2019

Five-membered metallacycles involving dimeric isocyanate units converted into cyclic tetramers and isocyanurates, depending on the central metal or organic isocyanates, and their synthetic and theoretical studies were carried out.
Comparison of pnicogen and tetrel bonds in complexes containing CX2carbenes (X = F, Cl, Br, OH, OMe, NH2, and NMe2)
Authors: Lin Hui , Meng Lingpeng , Li Xiaoyan , Zeng Yanli , Zhang Xueying
Published: September 2019

The similarities and differences of pnicogen and tetrel bonds formed by carbenes CX2with H3AsO and H3SiCN were investigated by carrying outab initiocalculations in association with topological analysis of electron density.
Mechanochromic luminescence based on a phthalonitrile-bridging salophen zinc(ii) complex
Authors: Yan Xianju , Song Xiaoxian , Mu Xiaoyue , Wang Yue
Published: September 2019

Here, we showcase the impressive stimuli-responsive properties of a luminescent zinc(ii)–salophen complex CN-Zn, highlighting a reversible mechanochromic property.
Evolution map of the memristor: from pure capacitive state to resistive switching state
Authors: Zhou Guangdong , Wu Jinggao , Wang Lidan , Sun Bai , Ren Zhijun , Xu Cunyun , Yao Yanqing , Liao Liping , Wang Gang , Zheng Shaohui , Mazumder Pinaki , Duan Shukai , Song Qunliang
Published: September 2019

Herein, the evolution map of the memristor from a pure capacitive state to a resistive switching state is discovered.
Multiscale porous Fe–N–C networks as highly efficient catalysts for the oxygen reduction reaction
Authors: Li Ying , Liu Tong , Yang Wenxiu , Zhu Zhijun , Zhai Yanling , Gu Wenling , Zhu Chengzhou
Published: September 2019

Dual-template method was proposed to synthesize multiscale porous Fe–N–C catalysts, which exhibited a superior ORR performance in comparison with that of commercial Pt/C.
Optimizing graphene content in a NiSe/graphene nanohybrid counter electrode to enhance the photovoltaic performance of dye-sensitized solar cells
Authors: Murugadoss Vignesh , Lin Jing , Liu Hu , Mai Xianmin , Ding Tao , Guo Zhanhu , Angaiah Subramania
Published: September 2019

Optimizing the graphene mass ratio in NiSe/GN counter electrodes enabled the fabrication of high performance dye-sensitized solar cells with excellent electrocatalytic activity and chemical stability.
Palladium(ii) ligated with a selenated (Se, CNHC, N−)-type pincer ligand: an efficient catalyst for Mizoroki–Heck and Suzuki–Miyaura coupling in water
Authors: Sharma Kamal Nayan , Satrawala Naveen , Srivastava Avinash Kumar , Ali Munsaf , Joshi Raj Kumar
Published: September 2019

First Pd(ii) complex of a novel (Se, CNHC, N−) type pincer ligand based on selenated NHC was synthesized and found to be very efficient in the catalysis of Mizoroki–Heck coupling of ArCl/Br and Suzuki–Miyaura coupling of ArBr in water.
Chemoenzymatic reduction of citreorosein and its implications on aloe-emodin and rugulosin C (bio)synthesis
Authors: Mondal Amit , Saha Nirmal , Rajput Anshul , Singh Shailesh Kumar , Roy Brindaban , Husain Syed Masood
Published: September 2019

We report the first chemoenzymatic reduction of citreorosein to putative biosynthetic intermediates which will have implications on aloe-emodin and rugulosin C (bio)synthesis.
Synthesis of helical π-conjugated polymers bearing pyridine N-oxide pendants and asymmetric allylation of aldehydes in the helical cavity
Authors: Ikai Tomoyuki , Yoshida Takumu
Published: September 2019

Asymmetric allylation of aldehydes was conducted inside the helical cavity of a helically folded π-conjugated polymer bearing pyridine N-oxide pendants.
Sequence-defined non-natural polymers: synthesis and applications
Authors: Nanjan Pandurangan , Porel Mintu
Published: September 2019

Sequence-defined polymer: A promising gateway for the next generation polymeric materials and vast opportunities for new synthetic strategies, functional diversity and its material and biomedical applications.
Controlled cationic copolymerization of vinyl monomers and cyclic acetals via concurrent vinyl-addition and ring-opening mechanisms: the systematic study of structural effects on the copolymerization behavior
Authors: Maruyama Kazuya , Kanazawa Arihiro , Aoshima Sadahito
Published: September 2019

The effects of the structures of cyclic acetals on the copolymerization behavior were systematically investigated in the cationic copolymerization with vinyl ethers.
Simple, rapid, sensitive, selective and label-free lincomycin detection by using HAuCl4and NaOH
Authors: Leng Yumin , Hu Fang , Ma Chunhua , Du Chenxi , Ma Linfeng , Xu Jiao , Lin Qiyuan , Sang Zhipei , Lu Zhiwen
Published: September 2019

A simple, rapid, sensitive, selective and label-free method is presented for the colorimetric determination of lincomycin (Lin) by using HAuCl4and NaOH.
Upgrading biochar via co-pyrolyzation of agricultural biomass and polyethylene terephthalate wastes
Authors: Oh Seok-Young , Seo Tae-Cheol
Published: September 2019

Spent polyethylene terephthalate (PETE) bottles were co-pyrolyzed with rice straw to examine the performance of biochar as a sorbent for various types of pollutants, including 2,4-dinitrotoluene, 2,4-dichlorophenol, Pb, chromate, and selenate.
Intermediate band solar cell materials through the doping of group-VA elements (N, P, As and Sb) in Cu2ZnSiSe4
Authors: Jibran Muhammad , Sun Xia , Wang Bing , Yamauchi Yasushi , Ding Zejun
Published: September 2019

The doping of group-VA elements in Cu2ZnSiSe4 induces an intermediate band and enhances the absorption coefficient with two additional peaks.
Installation of internal electric fields by non-redox active cations in transition metal complexes
Authors: Kang Kevin , Fuller Jack , Reath Alexander H. , Ziller Joseph W. , Alexandrova Anastassia N. , Yang Jenny Y.
Published: September 2019

Experimental and computational study quantifying internal electric fields in synthetic systems using transition metal Schiff base complexes functionalized with a crown ether unit containing a mono- or dicationic alkali or alkaline earth metal ion.
Freeze the dynamicity: charge transfer complexation assisted control over the reaction pathway
Authors: Singha Nilotpal , Das Basab Kanti , Pramanik Bapan , Das Saurav , Das Debapratim
Published: September 2019

Aqueous CT complexes of donor and acceptor molecules with reactive thiol groups were frozen and lyophilized to get alternate D–A assemblies in the solid state. Oxidation of the thiols resulted in asymmetric disulfides exclusively.
Review on anionic redox in sodium-ion batteries
Authors: Xu Hang , Guo Shaohua , Zhou Haoshen
Published: September 2019

In this review, systematic overlook of recent research on anionic redox in SIBs is given, along with discussion of relative theories that explain the mechanism of activating and stabilizing anionic redox activity.
Exploring high-performance anodes of Li-ion batteries based on the rules of pore-size dependent band gaps in porous carbon foams
Authors: Chen Shi-Zhang , Deng Yuan-Xiang , Cao Xuan-Hao , Zhou Wu-Xing , Feng Ye-Xin , Tang Li-Ming , Chen Ke-Qiu
Published: September 2019

Novel nanoporous carbon foam structures are designed, and revealed the high performances of lithium-ion batteries when used as anode materials.
Biomechanical studies on biomaterial degradation and co-cultured cells: mechanisms, potential applications, challenges and prospects
Authors: Wang Lu , Wu Shuai , Cao Guangxiu , Fan Yubo , Dunne Nicholas , Li Xiaoming
Published: September 2019

This review provides a comprehensive overview of biomechanical studies on biomaterial degradation and co-cultured cells as well as valuable biomechanical ideas on how to design or optimize cell biomaterial co-culture system.
Enhanced selective acetone-sensing performance of hierarchical hollow SnO2/α-Fe2O3 microcubes
Authors: Yang Jing , Liu Jiaqiang , Xu Yan , Li Xianliang , Wu Junbiao , Han Yide , Wang Zhuopeng , Zhang Xia
Published: September 2019

Hierarchical SnO2/α-Fe2O3 hollow microcubes have been prepared, and their selective acetone-sensing properties have been studied.
In situ monitoring of the charge carrier dynamics of CH3NH3PbI3 perovskite crystallization process
Authors: Serpetzoglou Efthymis , Konidakis Ioannis , Maksudov Temur , Panagiotopoulos Apostolos , Kymakis Emmanuel , Stratakis Emmanuel
Published: September 2019

Although CH3NH3PbI3 perovskite has attracted enormous scientific attention over the last decade or so, important information on the charge extraction dynamics and recombination processes in perovskite devices is still missing.
Inner dark matter distribution of the Cosmic Horseshoe (J1148+1930) with gravitational lensing and dynamics
Authors: Schuldt S. , Chirivì G. , Suyu S. H. , Yıldırım A. , Sonnenfeld A. , Halkola A. , Lewis G. F.
Published: September 2019

We present a detailed analysis of the inner mass structure of the Cosmic Horseshoe (J1148+1930) strong gravitational lens system observed with theHubbleSpace Telescope (HST) Wide Field Camera 3 (WFC3). In addition to the spectacular Einstein ring, this systems shows a radial arc. We obtained the redshift of the radial arc counterimagezs, r = 1.961 ± 0.001 from Gemini observations. To disentangle the dark and luminous matter, we considered three different profiles for the dark matter (DM) distribution: a power law profile, the Navarro, Frenk, and White (NFW) profile, and a generalized version of the NFW profile. For the luminous matter distribution, we based the model on the observed light distribution that is fitted with three components: a point mass for the central light component resembling an active galactic nucleus, and the remaining two extended light components scaled by a constant mass-to-light ratio (M/L). To constrain the model further, we included published velocity dispersion measurements of the lens galaxy and performed a self-consistent lensing and axisymmetric Jeans dynamical modeling. Our model fits well to the observations including the radial arc, independent of the DM profile. Depending on the DM profile, we get a DM fraction between 60% and 70%. With our composite mass model we find that the radial arc helps to constrain the inner DM distribution of the Cosmic Horseshoe independently of the DM profile.
Mid-infrared evolution of η Carinae from 1968 to 2018
Authors: Mehner A. , de Wit W.-J. , Asmus D. , Morris P. W. , Agliozzo C. , Barlow M. J. , Gull T. R. , Hillier D. J. , Weigelt G.
Published: September 2019

η Car is one of the most luminous and massive stars in our Galaxy and is the brightest mid-IR source in the sky outside our solar system. Since the late 1990s, the central source has dramatically brightened at UV and optical wavelengths. This might be explained by a decrease in circumstellar dust extinction. We aim to establish the mid-IR flux evolution and further our understanding of the star’s UV and optical brightening. Mid-IR images from 8−20 μm were obtained in 2018 with VISIR at the Very Large Telescope. Archival data from 2003 and 2005 were retrieved from the ESO Science Archive Facility, and historical records were collected from publications. We present mid-IR images of η Car with the highest angular resolution to date at the corresponding wavelengths (≥0.22″). We reconstruct the mid-IR evolution of the spectral energy distribution of the spatially integrated Homunculus nebula from 1968 to 2018 and find no long-term changes. The bolometric luminosity of η Car has been stable over the past five decades. We do not observe a long-term decrease in the mid-IR flux densities that could be associated with the brightening at UV and optical wavelengths, but circumstellar dust must be declining in our line of sight alone. Short-term flux variations within about 25% of the mean levels could be present.
Chirurgische Therapieoptionen bei obstruktiven
schlafbezogenen Atmungsstörungen und Schnarchen
Authors: Just Maren , Dietz Andreas
Published: September 2019

Entsprechend der ICSD-3 wird eine obstruktive Schlafapnoe (OSA) dann
diagnostiziert, wenn die Atmungsstörung durch keine andere Schlafstörung oder
medizinische Erkrankung oder durch Medikamente oder andere Substanzen erklärbar
ist und entweder ein AHI (Apnoe-Hypopnoe-Index-Anzahl der Apnoen und Hypopnoen
pro Stunde Schlaf) > 15/h (Ereignis ≥ 10 s) Schlafzeit oder ein AHI ≥ 5/h
Schlafzeit in Kombination mit einer typischen klinischen Symptomatik oder
relevanten Komorbidität vorliegt 1.
The Use of Biomarkers in Clinical Management Guidelines: A Critical Appraisal
Authors: Esteve-Pastor María Asunción , Roldán Vanessa , Rivera-Caravaca José Miguel , Ramírez-Macías Inmaculada , Lip Gregory Y. H. , Marín Francisco
Published: September 2019

In cardiovascular disease (CVD), biomarkers (i.e., “biological markers”) could have multiple roles in understanding the complexity of cardiovascular (CV) pathophysiology and to offer an integrated approach to management. Biomarkers could help in daily practice as a diagnostic tool, to monitor therapy response, to assess prognosis and as early marker of CV damage, or to stratify risk. In recent years, the role of biomarkers in CVD is even more relevant and some have recently been included in clinical management guideline recommendations. The aim of this review is to discuss the recommendations in clinical guidelines of various biomarkers and to review their usefulness in daily clinical practice. Ultimately, a balance is needed between simplicity and practicality for clinical decision-making. Most biomarkers (whether blood, urine, or imaging-based) will improve on clinical risk stratification, but awaiting biomarker results may lead to delays in the initiation of therapy, for example, anticoagulation for stroke prevention in atrial fibrillation. Many biomarkers are nonspecific, being predictive of many CV and non-CV outcomes, so would be better as “rule-out” rather than “rule-in” assessments. Derivation of some biomarkers have also been made in highly selected clinical trial cohorts, where measurement is made at baseline but outcomes determined many years later; given the dynamic nature of risk in the “real world” where patients get older and develop incident risk factors, this may give a false impression of the risk profile. Finally, some laboratory biomarkers have a diurnal variation and inter-/intravariability (and lower limits of detection) in assays, which may be expensive, are added considerations.
Quantum hydrodynamics for plasmas—Quo vadis?
Authors: Bonitz M. , Moldabekov Zh. A. , Ramazanov T. S.
Published: September 2019

Quantum plasmas are an important topic in astrophysics and high pressure laboratory physics for more than 50 years. In addition, many condensed matter systems, including the electron gas in metals, metallic nanoparticles, or electron-hole systems in semiconductors and heterostructures, exhibit—to some extent—plasmalike behavior. Among the key theoretical approaches that have been applied to these systems are quantum kinetic theory, Green function theory, quantum Monte Carlo, semiclassical and quantum molecular dynamics, and more recently, density functional theory simulations. These activities are in close contact with the experiments and have firmly established themselves in the fields of plasma physics, astrophysics, and condensed matter physics. About two decades ago, a second branch of quantum plasma theory emerged that is based on a quantum fluid description and has attracted a substantial number of researchers. The focus of these studies has been on collective oscillations and linear and nonlinear waves in quantum plasmas. Even though these papers pretend to address the same physical systems as the more traditional papers mentioned above, the former appear to form a rather closed community that is largely isolated from the rest of the field. The quantum hydrodynamics (QHD) results have—with a few exceptions—not found application in astrophysics or in experiments in condensed matter physics. Moreover, these results practically did not have any impact on the former quantum plasma theory community. One reason is the unknown accuracy of the QHD for dense plasmas. In this paper, we present a novel derivation, starting from reduced density operators that clearly point to the deficiencies of QHD, and we outline possible improvements. It is also to be noted that some of the QHD results have attracted negative attention being criticized as unphysical. Examples include the prediction of “novel attractive forces” between protons in an equilibrium quantum plasma, the notion of “spinning quantum plasmas,” or the new field of “quantum dusty plasmas.” In the present article, we discuss the latter system in some detail because it is a particularly disturbing case of formal theoretical investigations that are detached from physical reality despite bold and unproven claims of importance for, e.g., dense astrophysical plasmas or microelectronics. We stress that these deficiencies are not a problem of QHD itself, which is a powerful and efficient method, but rather are due to ignorance of its properties and limitations. We analyze the common flaws of these works and come up with suggestions to improve the situation of QHD applications to quantum plasmas.
Electron energy-loss magnetic chiral dichroism of magnetic iron film affected by an underlayer in a double-layer structure
Authors: Fu X. , Wu K. , Serin V. , Warot-Fonrose B. , He Q. , Yang R. , Zhang L. , Huang X.
Published: September 2019

The electron energy-loss magnetic chiral dichroism (EMCD) technique has been generally applied to single-phase magnetic crystals while rarely used for composite structures. It is mainly due to the lack of in-depth understanding of EMCD in the latter case where an additional phase may present under or above the investigated magnetic phase in the electron beam path. Here, we report EMCD signals acquired on a 15-nm-thick magnetic iron film with different thicknesses of the MgO substrate underlayer. By comparison, for areas with total thicknesses of t=0.59λ and t=1.02λ expressed with the mean free inelastic path of electron λ, the relative dichroic signals at the Fe-L3 edge are 3.8%±1.0% and 3.5%±1.6%, respectively, demonstrating no significant difference within the error range. However, the dichroic signal intensity at the Fe-L2 edge peak is 77.6% larger in the thinner area of t=0.59λ. Accordingly, the extracted mL/ms ratio of Fe 3d moments is 63% smaller in the thinner area even after the plural scattering is removed. Then, we confirm that the presence of an additional nonmagnetic phase under a magnetic iron crystal can noticeably affect the quantified value of the mL/ms ratio of iron moment determined from the EMCD measurements. Furthermore, the larger thickness of the underlayer may result in relatively higher valuation of the mL/ms ratio of the upper layer. A correction method, considering the different influence of the underlayer on the Fe-L3 and L2 edges, is in demand for developing potential applications of the EMCD technique to such composite nanomaterial systems.
Numerical study of the stress singularity in stick-slip flow of the Phan-Thien Tanner and Giesekus fluids
Authors: Evans J. D. , Cuminato J. A. , Palhares Junior I. L. , Oishi C. M.
Published: September 2019

Stick-slip flow is a challenging viscoelastic benchmark problem due to the presence of a separation or transition point at the die exit where a sudden change in flow boundary conditions occurs. We present numerical simulations of transient planar stick-slip flow of the Phan-Thien–Tanner (PTT) and Giesekus fluids, investigating the polymer stress behavior around the stress singularity at the stick-slip point, confirming the asymptotic results presented by Evans et al. [“Stresses of the Oldroyd-B, PTT and Giesekus fluids in a Newtonian velocity field near the stick-slip singularity,” Phys. Fluids 29, 1–33 (2017)]. In order to improve the numerical knowledge about this viscoelastic benchmark problem, two distinct mathematical methodologies are used for comparison in the computational simulations: the Cartesian and natural stress formulations. The former is widely applied in computational rheology, while the latter is used for the first time in the context of this problem. The natural stress formulation gives improved convergence results both temporally and spatially near to the singularity while maintaining the same global flow characteristics as the Cartesian.
Universality in the firing of minicolumnar-type neural networks
Authors: Kanders Karlis , Stoop Norbert , Stoop Ruedi
Published: September 2019

An open question in biological neural networks is whether changes in firing modalities are mainly an individual network property or whether networks follow a joint pathway. For the early developmental period, our study focusing on a simple network class of excitatory and inhibitory neurons suggests the following answer: Networks with considerable variation of topology and dynamical parameters follow a universal firing paradigm that evolves as the overall connectivity strength and firing level increase, as seen in the process of network maturation. A simple macroscopic model reproduces the main features of the paradigm as a result of the competition between the fundamental dynamical system notions of synchronization vs chaos and explains why in simulations the paradigm is robust regarding differences in network topology and largely independent from the neuron model used. The presented findings reflect the first dozen days of dissociated neuronal in vitro cultures (upon following the developmental period bears similarly universal features but is characterized by the processes of neuronal facilitation and depression that do not require to be considered for the first developmental period).
Numerical evidence of spontaneous division of dissipative solitons in a planar gas discharge–semiconductor system
Authors: Rafatov Ismail
Published: September 2019

This work deals with the formation of patterns of spatially localized solitary objects in a planar semiconductor gas-discharge system with a high Ohmic electrode. These objects, known as dissipative solitons, are generated in this system in the form of self-organized current filaments, which develop from the homogeneous stationary state by the Turing bifurcation. The numerical model reveals, for the first time, evidence of spontaneous division of the current filaments in this system, similar to that observed in the experiment, in the physically relevant parameter regime.
Drainage of lubrication film around stuck bubbles in vertical capillaries
Authors: Li Zhongnan , Wang Linus , Li Jiang , Chen Haosheng
Published: September 2019

A bubble in a vertical cylindrical capillary can get stuck due to the drainage of its lubrication film, according to the prediction originally made by Bretherton. When stuck, the profile of the lubrication film around the bubble is measured using an optical interference method. Our experimental results verified the theoretical prediction of the time-dependent minimum thickness hmin ∼ t−4/5 [C. Lamstaes and J. Eggers, “Arrested bubble ‘rise’ in a narrow tube,” J. Stat. Phys. 167, 656–682 (2017)]. The bubble is stuck in a cylindrical capillary if the critical radius is proportional to the capillary length. We show that this result can be extended to square capillaries, where bubbles will get stuck in square capillaries below a critical width. For the same capillary length, the critical width of the square capillaries is much smaller than the critical radius of the cylindrical ones, due to the fluid leakage at the corners. As the square channels are also commonly used in microfluidic devices, our results provide helpful insights into the different features of the motion of bubbles resulting from the shape of channels.
Visible-blind UV monitoring with a photochromic charge trapping layer in organic field-effect transistors
Authors: Lv Jing-Jing , Gao Xu , Zhang Lin-Xi , Feng Yang , Xu Jian-Long , Xiao Jing , Dong Bin , Wang Sui-Dong
Published: September 2019

An alternative strategy is proposed to achieve visible-blind ultraviolet (UV) monitoring. By introducing photochromic spiropyran (SP) molecules into the dielectric as the charge trapping layer, organic field-effect transistor (OFET) memories show a selective response to UV light and are inert to visible light. The photoisomerization of SP from the ring-close to ring-open states under UV illumination modifies its electronic structure, which facilitates electron trapping into the charge trapping layer and accordingly induces the memory effect. UV exposure recording can be realized by cumulative and nonvolatile electron trapping, enabling potential applications of OFET memories for UV monitoring in wearable electronics.
Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotations
Authors: Rivero Uxía , Unke Oliver T. , Meuwly Markus , Willitsch Stefan
Published: September 2019

The Diels-Alder reaction between 2,3-dibromo-1,3-butadiene and maleic anhydride has been studied by means of multisurface adiabatic reactive molecular dynamics and the PhysNet neural network architecture. This system is used as a prototype to explore the concertedness, synchronicity, and possible ways of promotion of Diels-Alder reactions. Analysis of the minimum dynamic path indicates that rotational energy is crucial (∼65%) to drive the system toward the transition state in addition to collision energy (∼20%). Comparison with the reaction of butadiene and maleic anhydride shows that the presence of bromine substituents in the diene accentuates the importance of rotational excitation to promote the reaction. At the high total energies at which reactive events are recorded, the reaction is found to be direct and mostly synchronous.
Controlling polaron formation at hematite surfaces by molecular functionalization probed by XUV reflection-absorption spectroscopy
Authors: Biswas Somnath , Wallentine Spencer , Bandaranayake Savini , Baker L. Robert
Published: September 2019

Small polaron formation is known to limit the photocatalytic charge transport efficiency of hematite via ultrafast carrier self-trapping. While small polaron formation is known to occur in bulk hematite, a complete description of surface polaron formation in this material is not fully understood. Theoretical predictions indicate that the kinetics and thermodynamics of surface polaron formation are different than those in bulk. However, to test these predictions requires the ability to experimentally differentiate polaron formation dynamics at the surface. Near grazing angle extreme ultraviolet reflection-absorption (XUV-RA) spectroscopy is surface sensitive and provides element and oxidation state specific information on a femtosecond time scale. Using XUV-RA, we provide a systematic comparison between surface and bulk polaron formation kinetics and energetics in photoexcited hematite. We find that the rate of surface polaron formation (250 ± 40 fs) is about three times slower than bulk polaron formation (90 ± 5 fs) in photoexcited hematite. Additionally, we show that the surface polaron formation rate can be systematically tuned by surface molecular functionalization. Within the framework of a Marcus type model, the kinetics and energetics of polaron formation are discussed. The slower polaron formation rate observed at the surface is found to result from a greater lattice reorganization relative to bulk hematite, while surface functionalization is shown to tune both the lattice reorganization as well as the polaron stabilization energies. The ability to tune the kinetics and energetics of polaron formation and hopping by molecular functionalization provides the opportunity to synthetically control electron transport in hematite.
Enhanced self-bias magnetoelectric effect in locally heat-treated ME laminated composite
Authors: PourhosseiniAsl MohammadJavad , Yu Zhonghui , Chu Zhaoqiang , Yang Jikun , Xu JunJie , Hou Yanglong , Dong Shuxiang
Published: September 2019

This study reports the improvement in the magnetoelectric (ME) coupling effect in a locally heat-treated FeBSi (Metglas)/Pb(Mg1/3Nb2/3)O3-PbZrO3-PbTiO3 single crystal laminated composite under zero magnetic bias. The high-temperature pulse laser treatment could induce local crystallization along the laser scanning line, but adjacent domains remained still amorphous, which resulted in the thermal and lattice mismatch. Therefore, it could produce a residual stress between the crystalline and amorphous phases, which generated an internal bias field in the Metglas foil. The experimental results showed that the ME coefficient for the laser-treated laminate was enhanced to 1220 V/cm Oe at the resonance frequency of 23.32 kHz without a magnetic bias, which was two times higher than that of the untreated ME laminates. The induced ME voltage also showed a linear response to the applied AC magnetic field with an amplitude as low as 10−10 T at the resonance. The excellent ME performance could, therefore, serve as a promising and practicable application for highly sensitive magnetic field sensors under the zero bias field.
Morphology and proton diffusion in a coarse-grained model of sulfonated poly(phenylenes)
Authors: Clark Jennifer A. , Santiso Erik E. , Frischknecht Amalie L.
Published: September 2019

A coarse-grained model previously used to simulate Nafion using dissipative particle dynamics (DPD) is modified to describe sulfonated Diels-Alder poly(phenylene) (SDAPP) polymers. The model includes a proton-hopping mechanism similar to the Grotthuss mechanism. The intramolecular parameters for SDAPP are derived from atomistic molecular dynamics (MD) simulation using the iterative Boltzmann inversion. The polymer radii of gyration, domain morphologies, and cluster distributions obtained from our DPD model are in good agreement with previous atomistic MD simulations. As found in the atomistic simulations, the DPD simulations predict that the SDAPP nanophase separates into hydrophobic polymer domains and hydrophilic domains that percolate through the system at sufficiently high sulfonation and hydration levels. Increasing sulfonation and/or hydration leads to larger proton and water diffusion constants, in agreement with experimental measurements in SDAPP. In the DPD simulations, the proton hopping (Grotthuss) mechanism becomes important as sulfonation and hydration increase, in qualitative agreement with experiment. The turning on of the hopping mechanism also roughly correlates with the point at which the DPD simulations exhibit clear percolated, hydrophilic domains, demonstrating the important effects of morphology on proton transport.
Shape-imposed anisotropy in antiferromagnetic complex oxide nanostructures
Authors: Bang A. D. , Hallsteinsen I. , Chopdekar R. V. , Olsen F. K. , Slöetjes S. D. , Kjærnes K. , Arenholz E. , Folven E. , Grepstad J. K.
Published: September 2019

In this study, we report on a shape-imposed magnetic anisotropy in micro- and nanostructures defined in antiferromagnetic (AF) LaFeO3 (LFO) thin films. Two distinct types of structures are investigated: embedded magnets created via ion implantation and free-standing magnets created via ion milling. Using a combination of x-ray photoemission electron microscopy and x-ray absorption spectroscopy, we examine the impact of the structure type, AF layer thickness, and crystal geometry on the Néel vector orientation in these structures. We demonstrate a distinct shape-imposed anisotropy in embedded and free-standing structures alike and show that both parallel and perpendicular alignments of the AF spin axis with respect to structure edges can be achieved by variation of the AF layer thickness and the orientation of the structure edges with respect to the LFO crystalline axes. This work demonstrates how the fabrication procedure affects the magnetic order in thin film AF nanostructures and shows how nanoscale patterning can be used to control the orientation of the Néel vector in epitaxial oxide thin films.
Computer-automated tuning procedures for semiconductor quantum dot arrays
Authors: Mills A. R. , Feldman M. M. , Monical C. , Lewis P. J. , Larson K. W. , Mounce A. M. , Petta J. R.
Published: September 2019

As with any quantum computing platform, semiconductor quantum dot devices require sophisticated hardware and controls for operation. The increasing complexity of quantum dot devices necessitates the advancement of automated control software and image recognition techniques for rapidly evaluating charge stability diagrams. We use an image analysis toolbox developed in Python to automate the calibration of virtual gates, a process that previously involved a large amount of user intervention. Moreover, we show that straightforward feedback protocols can be used to simultaneously tune multiple tunnel couplings in a triple quantum dot in a computer automated fashion. Finally, we adopt the use of a “tunnel coupling lever arm” to model the interdot barrier gate response and discuss how it can be used to more rapidly tune interdot tunnel couplings to the gigahertz values that are compatible with exchange gates.
Theoretical prediction of strain-induced carrier effective mass modulation in 4H-SiC and GaN
Authors: Kuroiwa Yuichiro , Matsushita Yu-ichiro , Harada Kou , Oba Fumiyasu
Published: September 2019

We report the modulation of electron and hole effective masses under biaxial strain in 4H-SiC and GaN on the basis of first-principles calculations including the spin–orbit interaction. While the electron effective masses are insensitive to the strain, the hole effective masses manifest significant changes under moderate tensile strain in both 4H-SiC and GaN: more than two times increase in the (0001) in-plane directions and one-tenth decrease in the out-of-plane. We explain such substantial changes in the hole effective masses in terms of strain-induced hybridization, crossing, and reordering of the heavy-hole and light-hole bands.
Cluster structure prediction via CALYPSO method*
Authors: Tian Yonghong , Sun Weiguo , Chen Bole , Jin Yuanyuan , Lu Cheng
Published: September 2019

Cluster science as a bridge linking atomic molecular physics and condensed matter inspired the nanomaterials development in the past decades, ranging from the single-atom catalysis to ligand-protected noble metal clusters. The corresponding studies not only have been restricted to the search for the geometrical structures of clusters, but also have promoted the development of cluster-assembled materials as the building blocks. The CALYPSO cluster prediction method combined with other computational techniques have significantly stimulated the development of the cluster-based nanomaterials. In this review, we will summarize some good cases of cluster structure by CALYPSO method, which have also been successfully identified by the photoelectron spectra experiments. Beginning with the alkali-metal clusters, which serve as benchmarks, a series of studies are performed on the size-dependent elemental clusters which possess relatively high stability and interesting chemical physical properties. Special attentions are paid to the boron-based clusters because of their promising applications. The NbSi12 and BeB16 clusters, for example, are two classic representatives of the silicon- and boron-based clusters, which can be viewed as building blocks of nanotubes and borophene. This review offers a detailed description of the structural evolutions and electronic properties of medium-sized pure and doped clusters, which will advance fundamental knowledge of cluster-based nanomaterials and provide valuable information for further theoretical and experimental studies.
Petri Net and Max-Plus Algebra Model in Bank Queue with Two Servers in Each Service
Authors: Arulia Martha Gevinda , Siswanto  , Atmojo Kusmayadi Tri
Published: September 2019

Bank is one of the business entity used by most of the people in the world including Indonesia and play an important role of nancial institutions in the economy of society. There are some of the bank services that are given to us such as customer service, teller, loan service, etc. The main services provided by every bank are customer services and tellers. Queuing problem that happened in bank services can be modeled using mathematics. Mathematics model used in this research is timed petri net. Petri net models the queue in the services system into a discrete form where in this research is used two main services in the bank with two counters in each service. Furthermore, from the ow of petri net that has been made is built the coverability tree to nd out the liveness and deadlocks of each groove petri net. Next, the petri net model is constructed using max-plus algebra.
Characteristic Polynomial of a Triangular and Diagonal Strictly Double

ℝ

-astic Matrices over Interval Max-Plus Algebra
Authors: Vyni Wulandari Aisyah , Siswanto
Published: September 2019

Max-plus algebra is the set

ℝ
ε

=
ℝ
∪
{
ε
}

where

ℝ

is a set of all real numbers and ε = –∞ which is endowed with max (⊕) and plus (⊗) operations. A matrix in which its components are the element of

ℝ
ε

is called matrix over max-plus algebra. From matrix, we can define characteristic polynomial over max-plus algebra. Max-plus algebra has been generalized into interval max-plus algebra. Interval max-plus algebra is the set of interval over

ℝ
ε

, denoted by

I

(
ℝ
)

ε

, which is endowed with

⊕
¯

and

⊗
¯

operations. A matrix in which its components are the element of

I

(
ℝ
)

ε

is called interval matrix. Interval matrix has some unique forms, two of which are triangular and diagonal strictly double

ℝ

-astic matrices. From interval matrix, we can define characteristic polynomial over interval max-plus algebra which is used to determine eigenvalues. In this research will discussed about the characteristic polynomial of a triangular and diagonal strictly double ℝ-astic matrices over interval max-plus algebra that will also be used to determine eigenvalues.
Super (a, d)-H-antimagic total labeling on wheel edge corona product with a path and a cycle
Authors: Nadzima Uffi , Sri Martini Titin
Published: September 2019

A simple graph G = (V (G), E(G)) admits an H-covering, where H is subgraph of G, if every edge in E(G) belongs to a subgraph of G that is isomorphic to H. A graph G is said to be an (a, d)-H-antimagic covering if there exist a bijective function λ : V(G) → E(G) → {1, 2, …, |V(G)| + |E(G)|}, such that for all subgraphs H’ isomorphic to H, the H-weights w(H’) = ∑
v∈V(H’) λ(v) + ∑
e∈E(H’) λ(e) constitute an arithmetic progression a, a + d, a + 2d, …, a + (t − 1)d where a and d are positive integers and t is the number of subgraphs of G isomorphic to H. If the vertices contain the smallest possible labels, we called super (a, d)-H-antimagic. The edge corona product between graph G
1 and G
2 is a graph obtained by taking one copy of G
1 and |E(G
1)| copies of G
2 and then joining two end − vertices of the ith
edge of G
1 to every vertex in ith
copy of G
2. This research aims to find (a, d)-H-antimagic total labeling on Wn
◊ Pn
with H is C
3 ◊ Pn
and Wn
◊ Cn
with H is C
3 ◊ Cn
.
The local metric dimension of edge corona and corona product of cycle graph and path graph
Authors: Dyah Wulancar Elis , Atmojo Kusmayadi Tri
Published: September 2019

Let G be a nontrivial connected graph with vertex set V(G). For an ordered set W = {w
1
, w
2
, …, wn
} of n distinct vertices in G, the representation of a vertex v ∈ V(G) with respect to W is an ordered value of distance between v and every vertex of W . The set W is a local metric set of G if the representations of every pair of adjacent vertices with respect to W are different. The local metric set with minimum cardinality is called local metric basis and its cardinality is the local metric dimension of G and denoted by dim
l
(G). The edge corona product of cycle graph and path graph denoted by Cm
ʘ Pn
, this graph is obtained from a cycle graph Cm
and m copies of path graph Pn
, and then joining two end-vertices of ith
edge of Cm
to every vertex in the ith
copy of Pn
, where 1 ≤ i ≤ m. The corona product of cycle graph and path graph denoted by Cm
◊ Pn
, this graph is obtained from a cycle graph Cm
and m copies of path graph Pn
, and then joining by an edge each vertex from the ith
copy of Pn
with ith
vertex of Cm
. In this paper, we determine the local metric dimension of edge corona and corona product of cycle graph and path graph for positive integer m ≥ 3 and n ≥ 1. We obtain the local metric dimension of edge corona product of cycle and path graphs is dim
l
(Cm
◊ Pn
)=2 for n = 1 and

dim
l

(

C
m

⋄

P
n

)
=
m

⌈

n
−
1

4

⌉

for
 
n
≥
2

for n ≥ 2. The local metric dimension of corona product of cycle and path graphs is dim
l
(Cm
◊ Pn
)=1 for n = 1 and even positive integer m ≥ 3, dim
l
(Cm
ʘ Pn
)=2 for n = 1 and odd positive integer m ≥ 3, and

dim
l

(

C
m

⊙

P
n

)
=
m

⌈

n
−
1

4

⌉

for
 
n
≥
2

for n ≥ 2.