bluuebunny/crossref_metadata_2025 huggingface dataset:
Crystal Growth, Thermal Stability and Electrical Transport Property of Double‐Doping (SnCd) System in Single‐Crystal β‐Zn4Sb3
Authors: Deng Shuping , Li Decong , Zheng Liping , Tang Yu , Chen Zhong , Sun Luqi , Liu Wenting , Shen Lanxian , Deng Shukang
Published: April 2018

In this work, the effect of Cd and Sn atoms partly substitution for Zn on among crystal growth, thermal stability, mechanical, and electrical transport property in β‐Zn4Sb3 is reported. In a series of samples prepared from the atomic ratios of Zn:Sb:Cd:Sn = 4.4:3:x:3 (x = 0.2, 0.4, 0.6, and 0.8). Carrier concentration of all samples varies from 4.52 × 1019 to 6.42 × 1019 cm−3 as carrier mobility changes from 58.27 to 67.93 cm2 V−1 s−1 at room temperature. As a result, electrical transport properties of the samples are optimized by CdSn co‐doped. The experimental density of all the samples varies from 6.26 × 103 to 6.34 × 103 kg m−3 consistent with the theoretical value. The weight loss and melting point of the sample are determined to discuss thermal stability in the heating process in air, indicating that the single crystals β‐Zn4Sb3 possess an excellent thermal stability and it is practical importance in the TE application at high temperature. Consequently, the maximal power factor of 1.70 × 10−3 W m−1 K−2 is achieved at 540 K for the sample with initial Cd content x = 0.2, which is enhanced by 40% compared with the single‐doping system in β‐Zn4Sb3.
Hydrogen Passivation for Estimating the Bulk Lifetime of Bare Silicon Wafers
Authors: Juhl Mattias K. , Western Ned , Bremner Stephen
Published: April 2018

This paper reports a simple procedure to create a temporary hydrogen‐terminated surface with a surface recombination velocity down to 25 cm s−1 on 1 Ohm‐cm (100) oriented silicon, and remains below 50 cm s−1 for 30 min. The method is robust, uses common semiconductor chemicals, is performed at low temperature (<80 °C) and results in a sample free of dangerous chemicals. This enables measurement of the bulk lifetime of a semiconductor, an essential property for minority carrier‐based devices, without the requirement of a passivating dielectric. While several methods exist to passivate a silicon surface, they either require: dangerous chemicals; processing steps that may change the bulk lifetime, such as high temperature; or are not compatible with standard characterisation techniques. This approach avoids all these issues.
Simple structural elucidation of ostreocin‐B, a new palytoxin congener isolated from the marine dinoflagellate Ostreopsis siamensis, using complementary positive and negative ion liquid chromatography/quadrupole time‐of‐flight mass spectrometry
Authors: Terajima Takehito , Uchida Hideaki , Abe Naoki , Yasumoto Takeshi
Published: April 2018

Rationale

Ostreocin‐B is a new palytoxin congener of comparable complexity. Elucidation of the chemical structure by nuclear magnetic resonance has been hampered due to limited sample availability. More importantly, the dihedral angles of protons at the base of the hydroxyl groups on the ring structures are predicted to produce little couplings and thus disrupt connectivity. The present investigation solved the problem through mass spectrometry.

Methods

Structural elucidation was performed by high‐performance liquid chromatograph coupled to a quadrupole time‐of‐flight mass spectrometer equipped with an electrospray ionization source operated in positive and negative ion mode. Measurement parameters were optimized to achieve high sensitivity and a high ratio of singly charged ions. Ostreocin‐D (C127H219N3O53), another palytoxin congener possessing an unambiguously determined structure, was used as a template.

Results

The molecular formula of ostreocin‐B, C127H219N3O54, indicates that it has one more oxygen atom than ostreocin‐D. Comparison of the product ion spectra in negative ion mode indicates the occurrence of hydroxyl substitution at C44 in ostreocin‐B, unlike in ostreocin‐D. Positive ion spectra also support the 44‐OH substructure by producing conjugated polyenes ascribable to the sequential loss of hydroxyls on the cyclic hemiacetal.

Conclusions

The planar structure of ostreocin‐B is assigned to 42‐hydroxy‐3,26‐didemethyl‐19‐deoxypalytoxin (=44‐hydroxyostreocin‐D). The method used in this study is an excellent tool to obtain structural information on interspecies and intrastrain variation of palytoxin congeners in marine organisms.
On the use of the not‐at‐random fully conditional specification (NARFCS) procedure in practice
Authors: Tompsett Daniel Mark , Leacy Finbarr , Moreno‐Betancur Margarita , Heron Jon , White Ian R.
Published: April 2018

The not‐at‐random fully conditional specification (NARFCS) procedure provides a flexible means for the imputation of multivariable missing data under missing‐not‐at‐random conditions. Recent work has outlined difficulties with eliciting the sensitivity parameters of the procedure from expert opinion due to their conditional nature. Failure to adequately account for this conditioning will generate imputations that are inconsistent with the assumptions of the user.

In this paper, we clarify the importance of correct conditioning of NARFCS sensitivity parameters and develop procedures to calibrate these sensitivity parameters by relating them to more easily elicited quantities, in particular, the sensitivity parameters from simpler pattern mixture models. Additionally, we consider how to include the missingness indicators as part of the imputation models of NARFCS, recommending including all of them in each model as default practice.

Algorithms are developed to perform the calibration procedure and demonstrated on data from the Avon Longitudinal Study of Parents and Children, as well as with simulation studies.
Design and optimization of a reversed‐phase HPLC with diode array detection method for the determination of acemetacin and its toxic impurities using experimental design
Authors: Abdelgawad Mohamed A. , Owis Asmaa I. , Abdelwahab Nada S.
Published: April 2018

A reversed‐phase high‐performance liquid chromatography with diode array detection method was developed with the aid of statistical approaches for the determination of acemetacin and its official impurities 4‐chlorobenzoic acid and indometacin. Two‐level full factorial design was used to optimize the used mobile phase where three chromatographic variables were studied, amount of acetonitrile, amount of H3PO4 acid, and mobile phase flow rate. The selected responses were analysis time and chromatographic resolution between adjacent peaks (peaks of indometacin and acemetacin). The impacts of the amount of acetonitrile and the mobile phase flow rate individually were significant on the analysis time (P = 0.0277 and 0.0424, respectively). Also the amount of acetonitrile had a meaningful effect on the resolution (P = 0.0085). Finally, chromatographic separation was performed on Zorbax® Eclipse C18 column using acetonitrile/water (containing 0.05% H3PO4; 55:45, v/v) at 1.5 mL/min as an optimized mobile phase using full factorial experimental design with UV detection at 230 nm. 4‐Chlorobenzoic acid appeared at 3.29 min, indometacin at 9.07 min and acemetacin at 10 min. The method fulfilled United States Pharmacopoeia validation standards. In addition, system suitability parameters were calculated, and the results were within acceptable criteria. Commercially available tablets were analyzed, and good recoveries were obtained. Statistical comparison of the method with the reported one showed no significant difference.
Stepwise “bridge‐to‐bridge” reduction of monoclonal antibodies and light chain detection: Case studies of tenatumomab and trastuzumab
Authors: Mazzoccanti Giulia , Pierri Giuseppe , Ciogli Alessia , Ismail Omar H. , Giorgi Fabrizio , De Santis Rita , Villani Claudio , Gasparrini Francesco
Published: April 2018

Monoclonal antibodies are pharmaceutical products that because of their biological origin are characterized by the presence of countless variants, which are generated by post‐translational modifications, during purification or storage. Among these modifications the disulfide bridges variants are of considerable importance, for example their status can affect the correct Y‐shape of antibody. An analytical method, to characterize the oxidized/reduced state of disulfide bridges and to monitor the formation of free light chains followed by chemical reduction, has been developed and here presented. The chromatographic set‐up employs a macroporous polystyrene‐divinylbenzene stationary phase in ion‐pair reversed‐phase high‐performance liquid chromatography and a double UV/high‐resolution mass spectrometry detector. The appearance of increasing amount of reduced light chains can be observed upon incubation of antibodies with the reducing agent tris(2‐carboxyethyl)phosphine. Specifically, three isoforms can be identified at different reaction times: light chain, partially reduced light chain+2H, with one of two disulfide bridges opened in the constant or variable region, and totally reduced light chain+4H. The method was applied in the case of two monoclonal antibodies, namely, tenatumomab and trastuzumab, resulting in a potential tool to detection disulfide bridges variants of other biopharmaceutical products during drug development and release.
Translating medical terminology and bilingual terminography
Authors: Peters Pam , Qian Yan , Ding Jun
Published: April 2018

This paper examines the linguistic challenges in translating English medical terminology into Chinese, fnding appropriate translations equivalents for their individual denotations and connotations, and considering also how they take their place in terminological structures such as hyponymy in both languages. In the examples discussed, the Chinese translation equivalents are often more explicit in their reference than their English counterparts, and fnd alternative ways to explain the term’s meaning. The indeterminacy of some general science terms and within many English medical compounds is resolved in their Chinese translation equivalents, and acronyms are unpacked—albeit in rather lengthy paraphrases. Translations for euphemistic terms are found in more and less explicit paraphrases, from which translators and health professionals can select the most appropriate for the context of communication. Because of the continuous advances in medical terminology, keeping pace with the range of Chinese translation equivalents presents challenges to bilingual terminographers. The need to automate the extraction of bilingual terminology from large corpora is evident, both for the purposes of machine translation, and to build computational ontologies for knowledge abstracting from large medical databases.
Identifying dementia cases with routinely collected health data: A systematic review
Authors: Wilkinson Tim , Ly Amanda , Schnier Christian , Rannikmäe Kristiina , Bush Kathryn , Brayne Carol , Quinn Terence J. , Sudlow Cathie L.M. ,   On behalf of the UK Biobank Neurodegenerative Outcomes Group and Dementias Platform UK
Published: April 2018

Introduction

Prospective, population‐based studies can be rich resources for dementia research. Follow‐up in many such studies is through linkage to routinely collected, coded health‐care data sets. We evaluated the accuracy of these data sets for dementia case identification.

Methods

We systematically reviewed the literature for studies comparing dementia coding in routinely collected data sets to any expert‐led reference standard. We recorded study characteristics and two accuracy measures—positive predictive value (PPV) and sensitivity.

Results

We identified 27 eligible studies with 25 estimating PPV and eight estimating sensitivity. Study settings and methods varied widely. For all‐cause dementia, PPVs ranged from 33%–100%, but 16/27 were >75%. Sensitivities ranged from 21% to 86%. PPVs for Alzheimer's disease (range 57%–100%) were generally higher than those for vascular dementia (range 19%–91%).

Discussion

Linkage to routine health‐care data can achieve a high PPV and reasonable sensitivity in certain settings. Given the heterogeneity in accuracy estimates, cohorts should ideally conduct their own setting‐specific validation.
Post‐tonsillectomy taste dysfunction: Myth or reality?
Authors: Soldatova Liuba , Doty Richard L.
Published: April 2018

Lingual branches of the glossopharyngeal nerve (CN Ⅸ) are at risk of injury during tonsillectomy due to their proximity to the muscle layer of the palatine tonsillar bed. However, it is unclear how often this common surgery leads to taste disturbances. We conducted a literature search using PubMed, Embase, Cochrane Library, Google Scholar, PsychInfo, and Ovid Medline to evaluate the available literature on post‐tonsillectomy taste disorders. Studies denoting self‐reported dysfunction, as well as those employing quantitative testing, i.e., chemogustometry and electrogustometry, were identified. Case reports were excluded. Of the 8 original articles that met our inclusion criteria, only 5 employed quantitative taste tests. The highest prevalence of self‐reported taste disturbances occurred two weeks after surgery (32%). Two studies reported post‐operative chemical gustometry scores consistent with hypogeusia. However, in the two studies that compared pre‐ and post‐tonsillectomy test scores, one found no difference and the other found a significant difference only for the left rear of the tongue 14 days post‐op. In the two studies that employed electrogustometry, elevated post‐operative thresholds were noted, although only one compared pre‐ and post‐operative thresholds. This study found no significant differences. No study employed a normal control group to assess the influences of repeated testing on the sensory measures. Overall, this review indicates that studies on post‐tonsillectomy taste disorders are limited and ambiguous. Future research employing appropriate control groups and taste testing procedures are needed to define the prevalence, duration, and nature of post‐tonsillectomy taste disorders.
On Research History and Neanderthal Occupation at its Northern Margins
Authors: Nielsen Trine Kellberg , Riede Felix
Published: April 2018

Epistemology and research history significantly shape scientific understandings, debates, and publication strategies, albeit often implicitly. In Palaeolithic archaeology in particular, these factors are rarely examined in depth. Here, we present a historiographic analysis of how research history has influenced the debate concerning the possible Neanderthal occupation in Scandinavia. We provide a qualitative discussion of this contentious research field as well as a citation network analysis that visualizes, quantifies, and hence clarifies some of the underlying conceptual, geographic, and temporal patterns in the development of the debate. Our results show significant regionalism as a structuring principle driving this debate as well as a basic rift between professional and avocational archaeologists in how they interpret and publish the available data. We also identify a troubling lack of cross-referencing, even when taking language barriers into account. We argue that the debate about Neanderthal occupation in Scandinavia has been shaped (negatively) by the following phenomena: regionalism, nationalism, lack of research and researchers, non-cumulative work, publication in Nordic languages, science by press release/sensationalism, and a lamentable trend towards arguments ad hominem. In order to take this research field forward, we propose an epistemological turn towards a cumulative, international, and hypothesis-driven agenda based on renewed research efforts and novel citizen science tools.
Who was Arnobius the Younger? Dissimulation, Deception and Disguise by a Fifth-Century Opponent of Augustine
Authors: JAMES N. W.
Published: April 2018

Twentieth-century scholars believed that Arnobius the Younger was an African monk living in Rome. This is untenable. There is now considerable doubt over the authorship of several works ascribed to him by Germain Morin: the Expositiunculae has been proved to date from the early medieval period, but the author of the anti-predestinarian Commentarii in Psalmos, one ‘Arnobius’, is also responsible for writing the mid fifth-century Praedestinatus, an attack on Augustine's predestinarian theology and its champion, Prosper of Aquitaine. The content of these works and related evidence point to Julian of Eclanum as the true author.
Financing the African Colonial State: The Revenue Imperative and Forced Labor
Authors: van Waijenburg Marlous
Published: April 2018

Although recent studies on African colonial tax systems have deepened our understanding of early fiscal capacity building efforts in the region, they have largely ignored the contributions from a widely used butinvisiblesource of state revenue: that of labor contributions. Exploiting data oncorvéesystems in French Africa, this is the first article to make these in-kind taxes “visible” by estimating a lower bound of how much they augmented governments' revenue base. Revealing that labor taxes constituted in most places the largest component of early colonial budgets, I argue that studies on historical taxation need to make a greater effort to integrate this significant source of government revenue into their analysis.
On properly characterizing moral agency
Authors: Fowers Blaine J. , Anderson Austen R. , Lang Samantha F.
Published: April 2018

Doris (2015b) develops a theory of moral agency to avoid a skeptical challenge arising from psychology studies indicating that (im)moral behavior is caused by trivial situational factors. His theory is flawed in attending only to situational influences on behavior and neglecting individual differences such as moral identity and virtue. A focus on individual differences in resilience to influence from trivial situational factors defangs the skeptical challenge and offers a better account of moral agency.
Learning to talk to ourselves: Development, ignorance, and agency
Authors: Hammond Stuart I.
Published: April 2018

Although anti-reflectivism seems to preclude a role for reflection, this dichotomy could be synthesized in a Piagetian developmental framework. Development integrates a role for error and ignorance in reflection, and supports Doris's espousal of valuation, collaboration, and pluralism, and the importance of extrinsic factors to the self.
Talking to others: The importance of responsibility attributions by observers
Authors: Hechler Stefanie , Kessler Thomas
Published: April 2018

This commentary extends Doris's approach of agency by highlighting the importance of responsibility attributions by observers. We argue that (a) social groups determine which standards are relevant and which actors are responsible, (b) consensus about these attributions may correct individual defeaters, and (c) the attribution of moral responsibility reveals agency of observers and may foster the actors' agency.
Talking to others' selves: Why a valuational paradigm of agency fails to provide an adequate theoretical framework for moral responsibility, social accountability, and legal liability
Authors: Mattei Tobias A.
Published: April 2018

In this commentary, I highlight the importance of a proper discussion of the pragmatic implications of John Doris's paradigm for allocation of personal responsibility proposed in his new book Talking to Our Selves. By employing some classic concepts of the American common law tradition, I discuss why Doris's valuational understanding of agency fails to provide an adequate framework for moral responsibility, social accountability, and legal liability.
Dynamical modes of two almost identical chemical oscillators connected via both pulsatile and diffusive coupling
Authors: Safonov Dmitry A. , Vanag Vladimir K.
Published: April 2018

The dynamics of two almost identical chemical oscillators with mixed diffusive and pulsatile coupling are systematically studied.
When is electronic friction reliable for dynamics at a molecule–metal interface?
Authors: Coffman Alec J. , Subotnik Joseph E.
Published: April 2018

Conditions under which electronic friction dynamics are applicable in the nonadiabatic limit are determined by examination of three model systems.
Surface engineering of FeCo-based electrocatalysts supported on carbon paper by incorporating non-noble metals for water oxidation
Authors: Zhang Haixia , Zheng Jianfeng , Chao Yuguang , Zhang Kangming , Zhu Zhenping
Published: April 2018

FeCoMo nanosheets, as a highly efficient, cost-effective and stable electrocatalyst for the oxygen evolution reaction, significantly lower the overpotential and cost.
The comparative effect of wrapping solid gold nanoparticles and hollow gold nanoparticles with doxorubicin-loaded thermosensitive liposomes for cancer thermo-chemotherapy
Authors: Li Yanan , He Dongsheng , Tu Jiasheng , Wang Ru , Zu Chang , Chen You , Yang Wenqian , Shi Di , Webster Thomas J. , Shen Yan
Published: April 2018

Since conventional chemotherapy is a systemic treatment that affects the body globally and will not concentrate inside the tumor, it causes adverse side effects to patients.
A dendrimer emitter doped in a dendrimer host: efficient thermally activated delayed fluorescence OLEDs with fully-solution processed organic-layers
Authors: Albrecht K. , Matsuoka K. , Fujita K. , Yamamoto K.
Published: April 2018

TADF OLEDs with fully solution-processed organic-layers with all dendrimer emitting layers that exhibit 16.1% external quantum efficiency.
Construction of high surface potential polypyrrole nanorods with enhanced antibacterial properties
Authors: Zhou Wenhao , Lu Ling , Chen Dafu , Wang Zhengao , Zhai Jinxia , Wang Renxian , Tan Guoxing , Mao Jianping , Yu Peng , Ning Chengyun
Published: April 2018

High surface potential polypyrrole nanorods with enhanced antibacterial properties.
Rechargeable aluminum batteries utilizing a chloroaluminate inorganic ionic liquid electrolyte
Authors: Chen Chih-Yao , Tsuda Tetsuya , Kuwabata Susumu , Hussey Charles L.
Published: April 2018

A chloroaluminate inorganic ionic liquid electrolyte can boost the electrochemical activity of a graphitic carbon cathode for rechargeable Al batteries.
[18F]fluoro-benziodoxole: a no-carrier-added electrophilic fluorinating reagent. Rapid, simple radiosynthesis, purification and application for fluorine-18 labelling
Authors: Cortés González Miguel A. , Nordeman Patrik , Bermejo Gómez Antonio , Meyer Denise N. , Antoni Gunnar , Schou Magnus , Szabó Kálmán J.
Published: April 2018

An electrophilic 18F transfer reagent was synthetized by rapid, operationally simple ligand exchange from a hypervalent iodine and [18F]TBAF.
Three cooperative diffusion coefficients describing dynamics of polymer gels
Authors: Fujiyabu Takeshi , Toni Felicia , Li Xiang , Chung Ung-il , Sakai Takamasa
Published: April 2018

We measured three cooperative diffusion coefficients describing the dynamics of polymer gels, and provided the experimental evidence to fundamentally understand it.
Sulfur-functionalized three-dimensional graphene monoliths as high-performance anodes for ultrafast sodium-ion storage
Authors: Zheng Dequn , Zhang Jun , Lv Wei , Cao Tengfei , Zhang Siwei , Qiu Dong , Tao Ying , He Yanbing , Kang Feiyu , Yang Quan-Hong
Published: April 2018

Sulfur-functionalized graphene monoliths with a three-dimensional porous framework as anodes show a high capacity and ultrafast sodium ion storage performance.
A full color photonic polymer, rewritable with a liquid crystal ink
Authors: Moirangthem Monali , Scheers Anouk F. , Schenning Albertus P. H. J.
Published: April 2018

Full color patterns can be printed on a rewritable photonic polymer coating by using a liquid crystal ink.
General formalism for vibronic Hamiltonians in tetragonal symmetry and beyond
Authors: Hickman Riley J. , Lang Robert A. , Zeng Tao
Published: April 2018

We derive general expansion formulas in vibrational coordinates for all bimodal Jahn–Teller and pseudo-Jahn–Teller Hamiltonians in tetragonal symmetry.
Pulsed laser induced heat transfer from a phthalocyanine-based thin film to a Bi, Al-substituted DyIG substrate: photothermal demagnetization observed by magnetic circular dichroism and numerical analysis
Authors: Karasawa Masanobu , Ishii Kazuyuki
Published: April 2018

A scheme of pulsed laser-induced photothermal demagnetization and the isothermal surface after laser irradiation of a phthalocyanine film.
High-temperature reversible phase transitions and exceptional dielectric anomalies in cobalt(ii) based ionic crystals: [Me3NCH2X]2[CoX4] (X = Cl and Br)
Authors: Hua Xiu-Ni , Huang Chao-Ran , Gao Ji-Xing , Lu Yang , Chen Xiao-Gang , Liao Wei-Qiang
Published: April 2018

Two isostructural cobalt(ii) based ionic crystals with exceptional dielectric anomalies have been designed as new high-temperature phase transition materials.
Pressurized CO2 as a carboxylating agent for the biocatalytic ortho-carboxylation of resorcinol
Authors: Plasch Katharina , Hofer Gerhard , Keller Walter , Hay Sam , Heyes Derren J. , Dennig Alexander , Glueck Silvia M. , Faber Kurt
Published: April 2018

Utilization of gaseous carbon dioxide as a C1-building block in the biocatalytic ortho-carboxylation of a phenol.
Nanocellulose nanocomposite hydrogels: technological and environmental issues
Authors: Nascimento Diego M. , Nunes Yana L. , Figueirêdo Maria C. B. , de Azeredo Henriette M. C. , Aouada Fauze A. , Feitosa Judith P. A. , Rosa Morsyleide F. , Dufresne Alain
Published: April 2018

Nanocellulose-based nanocomposite hydrogels are promising materials in different fields of application such as medicine, food, and agriculture.
The effect of different Brønsted acids on the hydrothermal conversion of fructose to HMF
Authors: Körner Paul , Jung Dennis , Kruse Andrea
Published: April 2018

The effect of Brønsted acids on the hydrothermal dehydration of fructose to 5-hydroxymethylfurfural (HMF), a promising platform chemical from renewable resources, exceeds the sole donation of catalytically active protons.
Low-cost synthesis of heterocyclic spiro-type hole transporting materials for perovskite solar cell applications
Authors: Govindan Venkatesan , Yang Kai-Cheng , Fu Yung-Sheng , Wu Chun-Guey
Published: April 2018

The new spirobased PSC used HTM SFX-TPAM with good photovoltaic performance was prepared through low cost facile route.
Non-Dirac Chern insulators with large band gaps and spin-polarized edge states
Authors: Xue Y. , Zhang J. Y. , Zhao B. , Wei X. Y. , Yang Z. Q.
Published: April 2018

A non-Dirac Chern insulator with a large band gap (244 meV) and half-metallic edge states was realized in a PbC/MnSe heterostructure.
The size-selective interaction of key and lock nanocrystals driven by depletion attraction at the nanoscale
Authors: Hinrichs D. , Himstedt R. , Dorfs D.
Published: April 2018

In this article, we study the size-dependent interactions of quasi-spherical nanocrystals with voids of concave nanoparticles of complementary sizes and shapes.
On the ozonolysis of unsaturated tosylhydrazones as a direct approach to diazocarbonyl compounds
Authors: Fegheh-Hassanpour Younes , Ebrahim Faisal , Arif Tanzeel , Sintim Herman O. , Claridge Timothy D. W. , Amin Nader T. , Hodgson David M.
Published: April 2018

Chemoselective alkene ozonolysis of unsaturated hydrazones then addition of Et3N simultaneously reveals synthetically valuable carbonyl and (via Bamford–Stevens) diazo functionality.
Binding-promoted chemical reaction in the nanospace of a binding site: effects of environmental constriction
Authors: Xing Xiaoyu , Zhao Yan
Published: April 2018

Chemical reactions in a confined nanospace can be very different from those in solution.
Modification of graphene oxide film properties using KrF laser irradiation
Authors: Mortazavi Somayeh , Mollabashi Mahmoud , Barri Rasoul , Jones Kevin , Xiao John Q. , Opila Robert L. , Shah S. Ismat
Published: April 2018

Modification of various properties of graphene oxide (GO) films on SiO2/Si substrate under KrF laser radiation was extensively studied.
High loss factor piezoelectric damping composite with three-dimensional reduced graphene oxide as the conductive phase
Authors: Xue Wenchao , Li Hua , Dugnani Roberto , Rehman Hafeez Ur , Zhang Chunmei , Chen Yujie , Liu Hezhou
Published: April 2018

Piezoelectric damping composite with 3D rGO as the conductive phase that possesses good damping properties with the conductive threshold as low as 0.7 wt%.
Recovery of monosaccharides from dilute acid corncob hydrolysate by nanofiltration: modeling and optimization
Authors: Jiang Kangkang , Kuang Han , Qin Taotao , Song Mingkai , Zhou Jingwei , Yang Pengpeng , Zhuang Wei , Ying Hanjie , Wu Jinglan
Published: April 2018

In this work Multi-objective optimization has been employed to obtain the optimal permeate flux (jv) and operating time (t) during the diananofiltration detoxification of dilute acid corncob hydrolysate process.
Heterostructured Bi2S3@NH2-MIL-125(Ti) nanocomposite as a bifunctional photocatalyst for Cr(vi) reduction and rhodamine B degradation under visible light
Authors: Wang Minghua , Yang Longyu , Yuan Jinyun , He Linghao , Song Yingpan , Zhang Hongzhong , Zhang Zhihong , Fang Shaoming
Published: April 2018

Bi2S3@NH2-MIL-125(Ti) heterojunction exhibited enhanced photocatalytic activity for Cr(vi) reduction and RhB degradation under visible light irradiation.
Semi-quantitative and visual assay of copper ions by fluorescent test paper constructed with dual-emission carbon dots
Authors: Wang Yifan , Wu Mian , Yu Shaoming , Jiang Changlong
Published: April 2018

A ratiometric fluorescence nanosensor has been developed by mixing blue fluorescent carbon dots and orange fluorescent carbon dots for the detection of copper ions.
A ratiometric fluorescence assay for acetylcholinesterase activity and inhibitor screening based on supramolecular assembly induced monomer–excimer emission transition of a perylene probe
Authors: He Chunhua , Zhou Huipeng , Hussain Ejaz , Zhang Yunyi , Niu Niu , Li Yunhui , Ma Yuqin , Yu Cong
Published: April 2018

The PDI-DHA can aggregate to form supramolecular assemblies when mixed with lauroylcholine and lauric acid, and is employed as a ratiometric fluorescence probe for the detection of AChE activity.
Totally room-temperature solution-processing method for fabricating flexible perovskite solar cells using an Nb2O5–TiO2electron transport layer
Authors: Jiang Jun , Wang Shubo , Jia Xuguang , Fang Xiang , Zhang Shuai , Zhang Jing , Liu Wei , Ding Jianning , Yuan Ningyi
Published: April 2018

Flexible perovskite solar cells are new technology-based products developed by the global solar industry and are promising candidates for realizing a flexible and lightweight energy supply system for wearable and portable electronic devices.
Wet-chemically prepared low-dimensional ZnO/Al2O3/Cr2O3nanoparticles for xanthine sensor development using an electrochemical method
Authors: Alam M. M. , Asiri Abdullah M. , Uddin M. T. , Islam M. A. , Rahman Mohammed M.
Published: April 2018

This is a simple route to detect the selective xanthine with wet-chemically prepared co-doped ZnO/Al2O3/Cr2O3nanomaterials by reliable electrochemical method at large scales for the safety of healthcare fields.
Network cracks-based wearable strain sensors for subtle and large strain detection of human motions
Authors: Wang Shuai , Xiao Peng , Liang Yun , Zhang Jiawei , Huang Youju , Wu Si , Kuo Shiao-Wei , Chen Tao
Published: April 2018

Macroscopic multilayer free-standing CNTs films/PDMS composite with cracks in the network structure displays ability for the full-range detection of human motions.
Dokumentation der differentiellen Behandlungsindikation bei depressiven Störungen: Entwicklung und Machbarkeitsprüfung des STEP-D (englisch: Setting Guide for Patients with Depression)
Authors: Depping Miriam , Brünahl ChristianAndreas , Rickert Pascal , Langs Gernot , Löwe Bernd
Published: April 2018

Ziel der Studie Depressive Störungen erfordern eine differenzierte Behandlung. Zur Dokumentation und Begründung der Indikationsstellung für ein Behandlungssetting wurde ein Algorithmus (STEP-D, englisch: Setting Guide for Patients with Depression) entwickelt und evaluiert.

Methodik Der STEP-D wurde unter Berücksichtigung aktueller Behandlungsleitlinien entwickelt und von 36 Klinikern getestet.

Ergebnisse Besondere Stärken des Instrumentes sind die Nachvollziehbarkeit der Indikationsentscheidung, die Unterstützung der Kommunikation im Behandlungsteam und die verbesserte Dokumentation.

Schlussfolgerung Durch den STEP-D wird der Entscheidungsprozess für ein Behandlungssetting dokumentiert und kann damit die Kommunikation zwischen Patienten, Behandlern und Kostenträgern erleichtern.
One-Step O-Demethyl-Decarboxylation of ortho-Methoxy Aromatic Carboxylic Acids
Authors: Cahiez Gérard , Moyeux Alban , Zhou Edouard , Poizat Maël
Published: April 2018

A highly selective decarboxydemethylation of o-methoxyarenecarboxylic acids is described. The reaction takes place in DMPU at 170 °C in the presence of TMEDA and iron powder. A similar reaction has not been reported until now.
Besorgte Eltern aufklären – Kinder rational behandeln
Authors: Schwörer Claudia-Viktoria
Published: April 2018

Obwohl anhaltender Husten bei Atemwegsinfektionen meist harmlos ist, suchen viele Eltern mit ihren hustenden Kindern wiederholt den Kinderarzt auf. Bei längerer Hustendauer befürchten sie eine schwere Erkrankung als Ursache des Hustens, die vom Arzt erkannt und behandelt werden soll. Hohe Konsultationsund Wiedervorstellungsraten sowie Antibiotikaverordnungen lassen sich vermeiden, wenn Eltern fundiert über die kindliche Anatomie, Hustendauer, Hustenphasen und Nebenwirkungen von Antibiotika aufgeklärt werden. Zur symptomorientierten Behandlung können rationale Phytopharmaka wie die wirksame und gut verträgliche Fixkombination aus Thymianund Efeuextrakten eingesetzt werden, die den Husten beruhigt und Hustenanfälle spürbar reduziert.
Nierentransplantation und Dialyse – Update 2018
Authors: Krüger Bernd , Riegel Werner , Schröppel Bernd
Published: April 2018

Was ist neu?

Steroidfreie Immunsuppression Der Verzicht auf Steroide nach Nierentransplantation kann einen Diabetes mellitus verhindern, ohne dass ein gehäuftes Auftreten von akuten Abstoßungen bei Patienten mit niedrigem immunologischem Risiko beobachtet werden konnte.

Risiken der Lebendspende Die Lebendnierenspende ist eine wichtige Alternative zur postmortalen Nierenspende, allerdings bestehen perioperative und längerfristige Risiken für den Spender.

Patienteninformation bei Dialyse Seit Jahren ist bekannt, dass die Wahl eines Nierenersatzverfahrens am besten in einem Prozess der partizipativen Entscheidungsfindung (shared decision making) erreicht wird. Nun liegt eine kontrollierte Studie (CORETH-Projekt, Halle) vor. Die Zufriedenheit mit der Verfahrenswahl hängt vom Grad der Information ab; Patientenschulungen wie das Nierenstark-Training der Deutschen Nierenstiftung können eingesetzt werden.

Dialysezugang Der Dialysezugang, Peritonealdialysekatheter und insbesondere der Hämodialyse-Shunt sind mittlerweile als Verfahren standardisiert und weiterentwickelt worden. Das neu-aufgelegte deutschlandweite interdisziplinäre Zertifizierungsverfahren von Shuntzentren bietet weitere qualitative Entwicklungsmöglichkeiten und Expertise.

Dialysattemperatur Die Dialysattemperatur kann zur Kreislaufstabilisierung reduziert werden. In der „slow extended“-Form der Dialysebehandlung ist diese Maßnahme gut etabliert. In der intermittierenden Dialysebehandlung muss auf Nebenwirkungen geachtet werden und zugunsten des gewünschten Effektes abgewogen werden. Der Effekt auf die Dialyseeffizienz ist bislang unklar.
Petz recovery versus matrix reconstruction
Authors: Holzäpfel Milan , Cramer Marcus , Datta Nilanjana , Plenio Martin B.
Published: April 2018

The reconstruction of the state of a multipartite quantum mechanical system represents a fundamental task in quantum information science. At its most basic, it concerns a state of a bipartite quantum system whose subsystems are subjected to local operations. We compare two different methods for obtaining the original state from the state resulting from the action of these operations. The first method involves quantum operations called Petz recovery maps, acting locally on the two subsystems. The second method is called matrix (or state) reconstruction and involves local, linear maps that are not necessarily completely positive. Moreover, we compare the quantities on which the maps employed in the two methods depend. We show that any state that admits Petz recovery also admits state reconstruction. However, the latter is successful for a strictly larger set of states. We also compare these methods in the context of a finite spin chain. Here, the state of a finite spin chain is reconstructed from the reduced states of a few neighbouring spins. In this setting, state reconstruction is the same as the matrix product operator reconstruction proposed by Baumgratz et al. [Phys. Rev. Lett. 111, 020401 (2013)]. Finally, we generalize both these methods so that they employ long-range measurements instead of relying solely on short-range correlations embodied in such local reduced states. Long-range measurements enable the reconstruction of states which cannot be reconstructed from measurements of local few-body observables alone and hereby we improve existing methods for quantum state tomography of quantum many-body systems.
Time-resolved photoion imaging spectroscopy: Determining energy distribution in multiphoton absorption experiments
Authors: Qian D. B. , Shi F. D. , Chen L. , Martin S. , Bernard J. , Yang J. , Zhang S. F. , Chen Z. Q. , Zhu X. L. , Ma X.
Published: April 2018

We propose an approach to determine the excitation energy distribution due to multiphoton absorption in the case of excited systems following decays to produce different ion species. This approach is based on the measurement of the time-resolved photoion position spectrum by using velocity map imaging spectrometry and an unfocused laser beam with a low fluence and homogeneous profile. Such a measurement allows us to identify the species and the origin of each ion detected and to depict the energy distribution using a pure Poisson’s equation involving only one variable which is proportional to the absolute photon absorption cross section. A cascade decay model is used to build direct connections between the energy distribution and the probability to detect each ionic species. Comparison between experiments and simulations permits the energy distribution and accordingly the absolute photon absorption cross section to be determined. This approach is illustrated using C60 as an example. It may therefore be extended to a wide variety of molecules and clusters having decay mechanisms similar to those of fullerene molecules.
Clinical doses of radiation reduce collagen matrix stiffness
Authors: Miller Joseph P. , Borde Brandon H. , Bordeleau Francois , Zanotelli Matthew R. , LaValley Danielle J. , Parker Dylan J. , Bonassar Lawrence J. , Pannullo Susan C. , Reinhart-King Cynthia A.
Published: April 2018

Cells receive mechanical cues from their extracellular matrix (ECM), which direct migration, differentiation, apoptosis, and in some cases, the transition to a cancerous phenotype. As a result, there has been significant research to develop methods to tune the mechanical properties of the ECM and understand cell-ECM dynamics more deeply. Here, we show that ionizing radiation can reduce the stiffness of an ex vivo tumor and an in vitro collagen matrix. When non-irradiated cancer cells were seeded in the irradiated matrix, adhesion, spreading, and migration were reduced. These data have ramifications for both in vitro and in vivo systems. In vitro, these data suggest that irradiation may be a method that could be used to create matrices with tailored mechanical properties. In vivo, these suggest that therapeutic doses of radiation may alter tissue mechanics directly.
Adaptive enhanced sampling by force-biasing using neural networks
Authors: Guo Ashley Z. , Sevgen Emre , Sidky Hythem , Whitmer Jonathan K. , Hubbell Jeffrey A. , de Pablo Juan J.
Published: April 2018

A machine learning assisted method is presented for molecular simulation of systems with rugged free energy landscapes. The method is general and can be combined with other advanced sampling techniques. In the particular implementation proposed here, it is illustrated in the context of an adaptive biasing force approach where, rather than relying on discrete force estimates, one can resort to a self-regularizing artificial neural network to generate continuous, estimated generalized forces. By doing so, the proposed approach addresses several shortcomings common to adaptive biasing force and other algorithms. Specifically, the neural network enables (1) smooth estimates of generalized forces in sparsely sampled regions, (2) force estimates in previously unexplored regions, and (3) continuous force estimates with which to bias the simulation, as opposed to biases generated at specific points of a discrete grid. The usefulness of the method is illustrated with three different examples, chosen to highlight the wide range of applicability of the underlying concepts. In all three cases, the new method is found to enhance considerably the underlying traditional adaptive biasing force approach. The method is also found to provide improvements over previous implementations of neural network assisted algorithms.
Temperature-dependent power-law analysis of capacitance-voltage for GaN-based pn junction
Authors: Wang Chun An , Fu Silie , Liu Liu , Li Junxian , Bao Jiayi
Published: April 2018

Capacitance-voltage (C-V) measurement is an effective method that has been widely used to study the electronic characteristics of the pn junction. In this paper, the C-V measurement is used to study the effect of the temperature on the structural type of the GaN-based pn junction. The C−2-V and C−3-V curves, combined with power-law index k, are used to determine the structural type of the GaN-based pn junction when the temperature is set at 25 °C, −50 °C, −100 °C, −150 °C, and −195 °C. Our experimental results show that the C−2-V curve is a clear linear relation, and the index k is 0.5 when the temperature is set at 25 °C and −50 °C. This shows an abrupt junction when the temperature ranges from 25 °C to −50 °C. When the temperature is dropped to −100 °C, the structural type of the pn junction begins to change and the index k becomes 0.45. When the temperature is decreased further to T = −150 °C and −195 °C, the index k becomes 0.30 and 0.28, respectively, corresponding to a non-abrupt and non-linear junction. Possible explanations of this phenomenon are: the low-temperature carrier freeze-out effect and the localized space charge region that is produced by crystal defects and interface states. The enhancement of the inhomogeneous and localized space charge region further affects the structural type of the pn junction in a low temperature environment.
Nonlinear optical response of a gold surface in the visible range: A study by two-color sum-frequency generation spectroscopy. I. Experimental determination
Authors: Dalstein L. , Revel A. , Humbert C. , Busson B.
Published: April 2018

We experimentally determine the effective nonlinear second-order susceptibility of gold over the visible spectral range. To reach that goal, we probe by vibrational two-color sum-frequency generation spectroscopy the methyl stretching region of a dodecanethiol self-assembled monolayer adsorbed on a gold film. The sum-frequency generation spectra show a remarkable shape reversal when the visible probe wavelength is tuned from 435 to 705 nm. After correcting from Fresnel effects, the methyl stretching vibrations serve as an internal reference, allowing to extract the dispersion of the absolute phase and relative amplitude of the effective nonlinear optical response of gold in the visible range.
The simultaneous discharge of liquid and grains from a silo
Authors: Cervantes-Álvarez A. M. , Hidalgo-Caballero S. , Pacheco-Vázquez F.
Published: April 2018

The flow rate of water through an orifice at the bottom of a container depends on the hydrostatic pressure whereas for a dry granular material it is nearly constant. But what happens during the simultaneous discharge of grains and liquid from a silo? By measuring the flow rate as a function of time, we found that (i) different regimes appear, going from the constant flow rate to a hydrostatic-like discharge depending on the aperture size and grain diameter, (ii) the mixed material is always discharged faster than dry grains but slower than liquid, (iii) for the mixture, the liquid level drops faster than the grain level, but they are always linearly proportional to one another, and (iv) a sudden growth in the flow rate happens during the transition from a biphasic discharge to a single phase discharge. These results are associated to the competition between the decrease in hydrostatic pressure above the granular bed and the hydrodynamic resistance. A model combining Darcy’s law with Bernoulli and mass conservation equations is proposed, and the numerical results are in good agreement with experiments.
A walk through the approximations of ab initio multiple spawning
Authors: Mignolet Benoit , Curchod Basile F. E.
Published: April 2018

Full multiple spawning offers an in principle exact framework for excited-state dynamics, where nuclear wavefunctions in different electronic states are represented by a set of coupled trajectory basis functions that follow classical trajectories. The couplings between trajectory basis functions can be approximated to treat molecular systems, leading to the ab initio multiple spawning method which has been successfully employed to study the photochemistry and photophysics of several molecules. However, a detailed investigation of its approximations and their consequences is currently missing in the literature. In this work, we simulate the explicit photoexcitation and subsequent excited-state dynamics of a simple system, LiH, and we analyze (i) the effect of the ab initio multiple spawning approximations on different observables and (ii) the convergence of the ab initio multiple spawning results towards numerically exact quantum dynamics upon a progressive relaxation of these approximations. We show that, despite the crude character of the approximations underlying ab initio multiple spawning for this low-dimensional system, the qualitative excited-state dynamics is adequately captured, and affordable corrections can further be applied to ameliorate the coupling between trajectory basis functions.
Biexciton cascade emission in multilayered organic nanofibers
Authors: Evaristo de Sousa Leonardo , Ferreira da Cunha Wiliam , Antônio da Silva Filho Demétrio , de Oliveira Neto Pedro Henrique
Published: April 2018

The optical performance of multilayered organic nanofibers results from the dynamics of excited states in the system. Here, we show that the presence of biexcitons is crucial to correctly describe such dynamics. This may be the case even if the intensity of the light source is not high. The cascade emission mediated by biexcitons is mainly responsible for the behavior of the photoluminescence profile in the initial steps after light absorption. By using a combination of Kinetic Monte Carlo model and Genetic Algorithm, we simulate Time-Resolved Photoluminescence measurements of multilayered nanofibers. These simulations are compared with experimental results, thus revealing that the usual singlet exciton recombination is insufficient to reproduce the complete physical picture. Our results also include predictions for the behavior of the biexciton signal. These findings are observed to be valid for a wide temperature range, showing the importance of the biexciton cascade emission in several regimes for organic nanofibers in general.