bluuebunny/crossref_metadata_2025 huggingface dataset:
Clustering of PK-trisaccharides on amphiphilic cyclodextrin reveals unprecedented affinity for the Shiga-like toxin Stx2
Authors: Zhang Ping , Paszkiewicz Eugenia , Wang Qifang , Sadowska Joanna M. , Kitov Pavel I. , Bundle David R. , Ling Chang-Chun
Published: August 2017

Amphiphilic cyclodextrin-based PK-glycoarrays show remarkable binding avidity and selectivity for Stx2 in solid phase assay formats.
Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)
Authors: Ribeiro Eloisa O. , de Campos Nathália R. , Doriguetto Antônio C. , Barros Wdeson P. , Ribeiro Marcos A. , De Paula Elgte E. B. , Stumpf Humberto O. , Lloret Francesc , Julve Miguel , Marinho Maria V.
Published: September 2017

Alternating anionic and cationic slices (1) and supramolecular layers (2) resulted from the assembly between [Cu(bpca)]+ and polypyridine ligands.
DNA protection by ectoine from ionizing radiation: molecular mechanisms
Authors: Hahn Marc Benjamin , Meyer Susann , Schröter Maria-Astrid , Kunte Hans-Jörg , Solomun Tihomir , Sturm Heinz
Published: August 2017

Ectoine, a compatible solute and osmolyte, is known to be an effective protectant of biomolecules and whole cells against heating, freezing and extreme salinity.
Dynamics of coherence, localization and excitation transfer in disordered nanorings
Authors: Somoza Alejandro D. , Sun Ke-Wei , Molina Rafael A. , Zhao Yang
Published: September 2017

We reveal an optimal exciton–phonon coupling in LH2 that suppresses disorder-induced localization and facilitates excitation de-trapping. This excitation transfer enhancement, mediated by environmental phonons, is attributed to energy relaxation toward extended, low energy excitons provided by the precise geometry of the LH2.
Be positive: optimizing pramlintide from microcanonical analysis of amylin isoforms
Authors: Frigori Rafael B.
Published: August 2017

Microcanonical thermostatistics analysis of multicanonical simulations of wild-type amylin isoforms is employed to screen (charged) mutations able to optimize the solubility and fibrillization-inhibitory features of pramlintide.
Half sandwich Ru(ii)-acylthiourea complexes: DNA/HSA-binding, anti-migration and cell death in a human breast tumor cell line
Authors: Colina-Vegas Legna , Luna-Dulcey Liany , Plutín Ana M. , Castellano Eduardo E. , Cominetti Marcia R. , Batista Alzir A.
Published: September 2017

Eight Ru(ii) complexes were synthesized. The activities against MDA-MB-231 cells include anti-migration, arrest at the sub-G1 phase and cell death by apoptosis.
Rapid and highly sensitive detection of extracellular and intracellular H2S by an azide-functionalized Al(iii)-based metal–organic framework
Authors: Nandi Soutick , Reinsch Helge , Banesh Sooram , Stock Norbert , Trivedi Vishal , Biswas Shyam
Published: September 2017

Fast and highly sensitive sensing of both extracellular and intracellular H2S by an Al(iii)-based CAU-10-N3MOF is presented.
Towards ionic liquids with tailored magnetic properties: bmim+ salts of ferro- and antiferromagnetic CuII3 triangles
Authors: Boudalis Athanassios K. , Rogez Guillaume , Heinrich Benoît , Raptis Raphael G. , Turek Philippe
Published: August 2017

With proper selection of counteraction and pH control, CuII3-pyrazolate anions can form a ferromagnetic low-melting solid, or an antiferromagnetic viscous paste.
Synthesis and redox reactions of bis(verdazyl)palladium complexes
Authors: Sanz Corey A. , McKay Zach R. , MacLean Shaun W. C. , Patrick Brian O. , Hicks Robin G.
Published: September 2017

Bis(verdazyl)palladium complexes undergo a range of redox transformations, many of which involve ligand (hemi)lability.
A cobalt(ii)heteroarylalkenolate precursor for homogeneous Co3O4 coatings by atomic layer deposition
Authors: Büyükyazi Mehtap , Fischer Thomas , Yu Penmgei , Coll Mariona , Mathur Sanjay
Published: September 2017

We present a robust approach to prepare conformal Co3O4 nanocoatings on high aspect ratio structures from a new cobalt metalorganic complex.
Covalent self-assembly of the specific RSSR isomer of 14-membered tetrakisphosphine
Authors: Wittmann T. I. , Musina E. I. , Krivolapov D. B. , Litvinov I. A. , Kondrashova S. A. , Latypov Sh. K. , Karasik A. A. , Sinyashin O. G.
Published: September 2017

The first representative of the specificRSSRisomer of 14-membered tetrakisphosphine has been obtained instead of the predictedRRRR/SSSSisomer.
The elemental role of iron in DNA synthesis and repair
Authors: Puig Sergi , Ramos-Alonso Lucía , Romero Antonia María , Martínez-Pastor María Teresa
Published: August 2017

Iron is an essential redox element that functions as a cofactor in many metabolic pathways.
Multi-polysaccharide based stimuli responsive polymeric network for the in vitro release of 5-fluorouracil and levamisole hydrochloride
Authors: Anirudhan Thayyath Sreenivasan , Binusreejayan Binusreejayan , Christa John
Published: September 2017

A three-polysaccharide-based core shell system is reported for the first time for the delivery of dual drugs.
Cu-Catalyzed first direct access towards 3-sulfenylindoles from aryl halides
Authors: Golzar N. , Nowrouzi N. , Abbasi M. , Mehranpour A. M.
Published: September 2017

The copper-catalyzed cross-coupling of indole derivatives with aryl halides in the presence of thiourea proceeds to give 3-sulfenylindoles in DMSO at 120 °C.
γ radiation-induced damage of nucleic acid bases, calf thymus DNA and DNA within MCF-7 breast cancer cells by [Cu2(OAc)4(tnz)2]: a potential radiosensitizer
Authors: Santra Ramesh Chandra , Ganguly Durba , Bhattacharya Debalina , Karmakar Parimal , Saha Abhijit , Das Saurabh
Published: September 2017

A Cu(ii) complex of tinidazole is more radiosensitizing than it in radiation-induced damage of nucleic acids, calf thymus DNA and DNA in MCF-7 breast cancer cells. NO2˙−was modulated to strike a balance between efficacy and toxic side effects.
Role of MoS2and WS2monolayers on photocatalytic hydrogen production and the pollutant degradation of monoclinic BiVO4: a first-principles study
Authors: Opoku Francis , Govender Krishna Kuben , van Sittert Cornelia Gertina Catharina Elizabeth , Govender Penny Poomani
Published: September 2017

MS2/m-BiVO4(010) heterostructures showed a high driving force for H2evolution and pollutant degradation under simulated visible light irradiation.
Synthetic approach to tailored physical associations in peptide-polyurea/polyurethane hybrids
Authors: Matolyak L. E. , Keum J. K. , Van de Voorde K. M. , Korley L. T. J.
Published: September 2017

Tailored physical interactions were utilized to tune hierarchical organization and mechanical response in peptide-polymer hybrids.
DBU-mediated [4 + 1] annulations of donor–acceptor cyclopropanes with carbon disulfide or thiourea for synthesis of 2-aminothiophene-3-carboxylates
Authors: Su Zhenjie , Qian Siran , Xue Shuwen , Wang Cunde
Published: September 2017

Fully substituted 2-aminothiophene-3-carboxylate derivatives were synthesized effectivelyviathe DBU-mediated [4 + 1] annulations of donor–acceptor cyclopropanes with carbon disulfide or thiourea.
Investigation of thermoreversible polymer networks by temperature dependent size exclusion chromatography
Authors: Brandt Josef , Lenz Johannes , Pahnke Kai , Schmidt Friedrich Georg , Barner-Kowollik Christopher , Lederer Albena
Published: September 2017

We introduce a novel approach for studying thermoreversible Diels–Alder networks by Temperature Dependent SEC.
Fast median‐finding word comparator array
Authors: Subramaniam J. , Raju J.K. , Ebenezer D.
Published: August 2017

Finding the median of a set of data within a window of finite size is computationally challenging on account of the complexity in sorting. Compared with the established nine‐stage systolic arrays, an eight‐stage systolic array to find the median of a fixed 3 × 3 window of n bit integers is proposed. The proposed array requires a fewer number of signal paths, and is faster for fixed resource. The method employed uses selective comparators for finding the median by avoiding comparators required to obtain fully sorted list. This reduces the partial sorting to eight‐stage systolic array. However, this is applicable only to median sorting of 3 × 3 fixed window. The method employs combinatorial circuit implementation; consequently there is 12% gain in speed and 7% fewer signal paths. Circuit with memory cells at every stage and eight latency cycles results in 36% speed gain over the state‐of‐the‐art non‐sorting based methods. This method provides superior performance in comparison with the methods available for fixed 3 × 3 window‐based median filters.
Loran‐C skywave delay estimation using hybrid‐WRELAX algorithm
Authors: Zhang Kai , Wan Guobin , Pu Yurong , Zheng Chen , Xi Xiaoli
Published: August 2017

A hybrid weighted Fourier transform and relaxation (hybrid‐WRELAX) method applied to Loran‐C skywave delay estimation is presented. The performance of this method is demonstrated and compared with the spectrum analysis method. The hybrid‐WRELAX method has been proved to provide higher accuracy to estimate the Loran‐C skywave delay. Results testify this conclusion using off‐air data.
Wind turbine control based on a modified model predictive control scheme for linear parameter‐varying systems
Authors: Morsi Abdelrahman , Abbas Hossam S. , Mohamed Abdelfatah M.
Published: September 2017

This study presents a successful application of a model predictive control (MPC) design approach based on linear parameter‐varying (LPV) models subject to input/output constraints to control a utility‐scale wind turbine. The control objectives are to allow the wind turbine to extract from the wind the rated power taking into account the wind speed variation, to reduce mechanical loads and power fluctuations and to guarantee the stability of the system for the whole range of operation. A modified min–max MPC‐LPV scheme is proposed to compute online the optimal control input at each sampling instant by solving an optimisation problem subject to linear matrix inequality constraints. To reduce the conservatism of the original MPC scheme due to the overbounding associated with affine parameter‐dependence, the full block S‐procedure with a linear fractional transformation formulation is used. The performance and the efficiency of the proposed MPC‐LPV algorithm is validated via simulation and compared with the original scheme and other conventional controllers.
Time‐weighted MR for switched LPV systems via balanced realisation
Authors: Zhang Huiyan , Lim Cheng‐Chew , Wu Ligang , Shi Peng
Published: September 2017

A new model reduction (MR) method is developed for continuous‐time switched linear parameter‐varying (LPV) systems based on time‐weighted gramians. Using time‐weighted energy functionals and parameter‐independent multiple Lyapunov functions, the time‐weighted controllability and observability gramians are obtained. With a balanced transformation matrix optimally derived, the authors show that a balanced realisation can be achieved for the original switched LPV systems. A series of low‐order models for different weighting factors are yielded by state truncation or singular perturbation techniques. The reduced‐order models can preserve the stability. The feasibility and effectiveness of the proposed MR method are illustrated by two examples including a three spring‐mass system.
Modelling of torque and speed characterisation of double stator slotted rotor brushless DC motor
Authors: Raja Othman Raja Nor Firdaus Kashfi , Md Zuki Nor Aishah , Che Ahmad Suhairi Rizuan , Abdul Shukor Fairul Azhar , Mat Isa Siti Zulaika , Othman Md Nazri
Published: August 2017

This study discusses the modelling of torque and speed characterisation of the double stator slotted rotor brushless DC motor (DSSR‐BLDC). Most double stators have a surface mount rotor structure. The problem with this structure is that it has a large air gap, expensive permanent magnet, and cannot operate at high speed. In addition to flux leakage when this type of rotor structure is used. To overcome this problem, the DSSR‐BLDC has been introduced. The usage of the DSSR‐BLDC is to minimise the flux leakage, thus increasing the flux linkage. This will increase the torque production for the DSSR‐BLDC. The aim of this research is to model the torque and speed characterisation of the DSSR‐BLDC. This model uses the permeance analysis method and finite element method. The maximum torque and speed can be determined using both methods. The analyses of the electromagnetic torque, output power, and efficiency for various voltages are also presented. The simulation and measurement result show a good agreement with each other. The highest measurement value of the electromagnetic torque is 11 N m at 100 rpm. In conclusion, this study reveals that the modelling of the torque and speed characterisation of the DSSR‐BLDC is suitable for portable applications.
Resonance frequency‐based protection scheme for ultra‐high‐voltage direct‐current transmission lines
Authors: Yang Yayu , Tai Ningling , Fan Chunju , Yang Lian , Chen Shi
Published: August 2017

Direct‐current (DC) line faults are a major issue in ultra‐high‐voltage direct‐current systems due to the complex and wicked environment. Thus, reliably detecting and isolating the DC line faults are not a trivial engineering task. This study proposes a DC line protection scheme based on resonance frequency. The scheme mainly consists of a fault discrimination criterion and a faulty pole selection criterion. The fault discrimination criterion is based on the phase of the resonance frequency impedance, and it is deployed to differentiate the faults on the protected DC line from the external faults. The faulty pole selection criterion is based on the ratio of the resonance frequency currents, and it is employed to select the faulty pole. The sensitivity analysis demonstrates that the performance of the proposed protection is promising. The simulations carried out in PSCAD/EMTDC under various conditions verify the feasibility and validity of the proposed protection scheme.
The XXL Survey
Authors: Koulouridis E. , Faccioli L. , Le Brun A. M. C. , Plionis M. , McCarthy I. G. , Pierre M. , Akylas A. , Georgantopoulos I. , Paltani S. , Lidman C. , Fotopoulou S. , Vignali C. , Pacaud F. , Ranalli P.
Published: September 2017

Modern cosmological simulations heavily rely on feedback from active galactic nuclei (AGN) in order to stave off overcooling in massive galaxies, and galaxy groups and clusters. Given that AGN are a key component of such simulations, an important independent test is whether or not the simulations capture the broad demographics of the observed AGN population. However, to date, comparisons between observed and simulated AGN populations have been relatively limited. Here, we have used the cosmo-OWLS suite of cosmological hydrodynamical simulations to produce realistic synthetic catalogs of X-ray AGN out to z = 3, with the aim of comparing the catalogs to the observed X-ray AGN population in the XXL survey and other recent surveys. We focused on the unabsorbed X-ray luminosity function (XLF), the Eddington ratio distribution, the black hole mass function, and the projected clustering of X-ray AGN. To compute the unabsorbed XLF of the simulated AGN, we used recent empirically-determined (luminosity-dependent) bolometric corrections, in order to convert the simulated bolometric luminosity into an observable X-ray luminosity. We show that, using these corrections, the simulated AGN sample accurately reproduces the observed XLF over 3 orders of magnitude in X-ray luminosity in all redshift bins from z = 0 out to z = 3. To compare to the observed Eddington ratio distribution and the clustering of AGN, we produced detailed “XMM-Newton-detected” catalogs of the simulated AGN. This requires the production of synthetic X-ray images extracted from light cones of the simulations, which self-consistently contain both the X-ray AGN and the emission from diffuse, hot gas within galaxies, galaxy groups, and clusters and that fold in the relevant instrumental effects of XMM-Newton. We apply a luminosity- and redshift-dependent obscuration function for the AGN and employ the same AGN detection algorithm as used for the real XXL survey. We demonstrate that the detected population of simulated AGN reproduces the observed Eddington ratio distribution and projected clustering from XXL quite well. Based on these comparisons, we conclude that the simulations have a broadly realistic population of AGN and that our synthetic X-ray AGN catalogs should be useful for interpreting additional trends (e.g. environmental dependencies) and as a helpful tool for quantifying AGN contamination in galaxy group and cluster X-ray surveys.
Follicle Viability after Vitrification of Bovine Ovarian Tissue
Authors: Guedes Janaína de Souza , Rodrigues Jhenifer Kliemchen , Campos Ana Luisa Menezes , Moraes Camila Cruz de , Caetano João Pedro Junqueira , Marinho Ricardo Mello
Published: August 2017

Purpose The present study aimed to evaluate the impact of vitrification on the viability of follicles using a three-dimensional (3D) in vitro culture.

Methods Bovine ovarian tissue samples (n = 5) obtained from slaughterhouses were utilized. The cortex was cut into small fragments of 2 × 3 × 0.5 mm using a tissue slicer. From these fragments, secondary follicles were first isolated by mechanical and enzymatic methods, then encapsulated in alginate gel and individually cultured for 20 days. Additional fragments of the same ovarian tissue were vitrified in a solution containing 25% glycerol and 25% ethylene glycol. After warming, the follicles underwent the same follicular isolation process that was performed for the fresh follicles.

Results A total of 61 follicles were isolated, 51 from fresh ovarian tissue, and 10 from vitrified tissue. After the culture, the vitrified and fresh follicles showed 20% and 43.1% survival rates respectively (p = 0.290), with no significant differences. At the end of the culture, there were no significant differences in follicular diameter between the vitrified (422.93 ± 85.05 µm) and fresh (412.99 ± 102.55 µm) groups (p = 0.725). Fresh follicles showed higher mean rate of antrum formation when compared with vitrified follicles (47.1% and 20.0% respectively), but without significant difference (p = 0.167).

Conclusions The follicles were able to develop, grow and form antrum in the 3D system after vitrification, despite the lower results obtained with the fresh tissue.
Laser Speckle Contrast Imaging to Evaluate Bowel Lesions in Neonates with NEC
Authors: Knudsen Kristine , Thorup Joergen , Strandby Rune , Ambrus Rikard , Ring Linea , Ifaoui Inge
Published: August 2017

Background Necrotizing enterocolitis (NEC) is the most frequent surgical emergency in newborns. Intestinal ischemia is considered a factor that precedes the development of NEC lesions. Laser speckle contrast imaging (LSCI) can be used to assess tissue microcirculation. We evaluated if LSCI may help to detect intestinal regions with reduced microcirculation in NEC.

Case Report A male patient (gestational age, 26 [3/7] weeks; birth weight, 600 g) showed clinical signs of NEC 28 days after birth. X-ray revealed pneumatosis intestinalis and portal gas. Laparotomy showed NEC lesions with signs of transmural ischemia in the terminal ileum and cecum. Surgical resection lines (RLs) were marked, followed by LSCI measurements and resection of the bowel between the two RLs. Post hoc LSCI analyses were conducted on both sides of the proximal and distal RL. Low-flux values, indicating reduced microcirculation, were found in the macroscopically assessed necrotic bowel at the proximal RL, whereas higher flux values, indicating sufficient microcirculation, were found in the macroscopically assessed normal bowel.

Discussion This study is the first description of intra-abdominal use of LSCI to evaluate tissue microcirculation in relation to NEC lesions. LSCI could be a valuable tool to distinguish between ischemic and nonischemic bowel in neonates undergoing surgery for NEC.
Appearance of Abnormal Cardiothoracic Ratio of Fetuses with Hemoglobin Bart’s Disease: Life Table Analysis
Authors: Wanapirak Chanane , Sirichotiyakul Supatra , Luewan Suchaya , Srisupundit Kasemsri , Tongprasert Fuanglada , Tongsong Theera
Published: September 2017

Objective To determine the timeline of the first appearance of an increased CT ratio of fetuses with hemoglobin (Hb) Bart’s disease.

Materials and Methods A prospective longitudinal study was conducted on pregnancies at risk for fetal Hb Bart’s disease. Sonographic markers including cardiothoracic (CT) ratio and middle cerebral artery peak systolic velocity (MCA-PSV) were serially assessed and recorded from the first trimester. The definite diagnosis of fetal Hb Bart’s disease based on DNA analysis (CVS), or fetal Hb typing (HPLC; cordocentesis) was performed at the first appearance of an increased CT ratio.

Results Of 275 pregnancies at risk, 64 fetuses were finally proven to be affected and life table analysis was performed. Most affected fetuses showed an increased CT ratio in late first trimester and early second trimester, with median time of the first appearance at 13 weeks and all affected fetuses were detected at 23 weeks or less. The CT ratio yielded a sensitivity of 100 % at a gestational age of 23 weeks with a false-positive rate of 8 %. MCA-PSV appeared later than CT ratio. Only 9.4 % of affected cases developed abnormal MCA-PSV before an increased CT ratio.

Conclusion The timeline of the first appearance of an increased CT ratio of fetuses with Hb Bart’s disease was established. This may help us identify Hb Bart’s disease among fetuses at risk in earlier gestation and proper schedules for serial ultrasound could be made more effectively.
Aspekte der Qualitätssicherung bei der Kit-Präparation
Authors: Gildehaus Franz
Published: September 2017

Die 15. Novelle des Arzneimittelgesetzes (AMG) führte zu einer rechtlichen Neubewertung der selbst hergestellten Radiopharmaka, zu denen auch die Kit-Präparationen zählen. So wird diese Tätigkeit nunmehr eindeutig als pharmazeutische Herstellung im Sinne des AMG bewertet, die bei den zuständigen Behörden angezeigt werden muss und auch der behördlichen Inspektion unterliegen (kann). Da eine umfassende Qualitätssicherung der 99mTc-Kits gemäß den pharmazeutischen Standards den meisten Betreibern aber unmöglich ist, sehen die zuständigen Arzneimittelbehörden derzeit von einer Überwachung ab. Als Radiopharmaka bezeichnet man radioaktive Verbindungen, die sowohl für diagnostische Fragestellungen als auch für therapeutische Interventionen bei verschiedensten Erkrankungen eingesetzt werden können. Im Allgemeinen besitzen sie keine pharmakologischen Effekte, da sie nur in sehr geringen Mengen (mikro- bis nanomolarer Bereich) verwendet werden. Dosis-Wirkungs-Beziehungen treten im Gegensatz zu „normalen“ Pharmaka äußerst selten auf. Dennoch unterliegen sie als Parenteralia einer Reihe von biologischen Qualitätskriterien wie Sterilität und Apyrogenität, aber auch physikochemische Kriterien wie chemische und radiochemische Reinheit und Radionuklidreinheit müssen den Vorgaben entsprechen. Gerade die beiden Letztgenannten sollten regelmäßig vom Anwender, der letztlich für die Bereitung der Markierungskits verantwortlich ist, überprüft werden. Dazu stehen eine Reihe schneller und einfacher Methoden wie die Dünnschichtchromatografie oder Kartuschen-Methoden zur Verfügung. Unter Verwendung dieser Methoden lässt sich ein einfaches und effizientes Qualitätssicherungssystem für das nuklearmedizinische Labor etablieren, das eine hohe Produktqualität garantieren kann.
Plasmamedizin – Kaltes Plasma zur Behandlung von Hautinfektionen
Authors: Wiegand C. , Elsner P.
Published: August 2017

Plasma, der vierte Aggregatzustand der Materie, ist ein ionisiertes Gas und kann technisch aus Gasen wie Argon, Helium, Stickstoff, Sauerstoff oder Luft bei Normaldruck und niedrigen Temperaturen hergestellt werden. Dieses „kalte atmosphärische Plasma“ (KAP) besteht dann aus einer Mischung von reaktiven Spezies wie angeregten Molekülen, geladenen Partikeln, reaktiven Sauerstoff- und Stickstoffspezies sowie UV-Strahlung. Diese Komponenten tragen zur antimikrobiellen Wirkung des Plasmas bei, vermitteln aber auch Effekte gegen Parasiten, Phagen und Viren sowie gegen Malignomzellen. KAPs können daher zur Sterilisation von Oberflächen, zur Dekontamination von Lebensmitteln, in der Dermatologie und der Zahnheilkunde eingesetzt werden. KAPs haben darüber hinaus als alternative antiseptische Therapie zur Anwendung von lokalen Antibiotika bei nicht-systemischen Infektionen rapide an Bedeutung gewonnen. Aufgrund des vielseitigen Wirkprinzips ist die Entwicklung bakterieller Resistenzen gegen KAP unwahrscheinlich.
Fight the power: how CAGE resists from within a “suspect community”
Authors: Qureshi Asim
Published: September 2017

Against the backdrop of the War on Terror, the British government has introduced a strict counter-terrorism regime that has disproportionately targeted Muslim communities through on-going practices of racialization and surveillance. This paper examines the ways in which grassroots organizations have developed responses and strategies to resist counter-terrorism policy and state Islamophobia in the context of the United Kingdom and the United States. The paper uses a practitioner’s perspective to locate real-life experiences of working within such an organization, as a means to understand the complex processes by which structural power is exercised to suppress legitimate voices of colour seeking to critique policy and practice. It examines the consequences of such silencing and the wider risks this poses for dissent and debate in democratic societies.
Magnetization switching behavior of exchange-coupled bilayer nanodots characterized by magneto-optical Kerr effect
Authors: Zhou W. , Seki T. , Takanashi K.
Published: September 2017

We investigated the magnetization switching behavior of exchange-coupled bilayer nanodots consisting of a soft magnetic Ni81Fe19 (permalloy; Py) layer and a perpendicularly magnetized L10-FePt layer by measuring the polar magneto-optical Kerr effect (MOKE). A MOKE system having a 2-μm-diameter laser spot was used, which detected the signal from around 20 nanodots of 200 nm in diameter. The measured polar MOKE loops exhibited a two-step behavior attributable to each magnetization reversal process of the Py and L10-FePt layers, allowing us to evaluate the switching field (Hsw) of L10-FePt from the MOKE loop. Under the application of both a static magnetic field and an rf magnetic field (hrf), the nanodots showed a clear Hsw reduction with characteristic hrf frequency dependence. This Hsw reduction is well interpreted as a behavior of spin wave-assisted magnetization switching. We also discuss the influence of the Py layer thickness on spin wave-assisted Hsw reduction.
Effect of stochastic gating on channel-facilitated transport of non-interacting and strongly repelling solutes
Authors: Berezhkovskii Alexander M. , Bezrukov Sergey M.
Published: August 2017

Ligand- or voltage-driven stochastic gating—the structural rearrangements by which the channel switches between its open and closed states—is a fundamental property of biological membrane channels. Gating underlies the channel’s ability to respond to different stimuli and, therefore, to be functionally regulated by the changing environment. The accepted understanding of the gating effect on the solute flux through the channel is that the mean flux is the product of the flux through the open channel and the probability of finding the channel in the open state. Here, using a diffusion model of channel-facilitated transport, we show that this is true only when the gating is much slower than the dynamics of solute translocation through the channel. If this condition breaks, the mean flux could differ from this simple estimate by orders of magnitude.
Maximum initial growth-rate of strong-shock-driven Richtmyer-Meshkov instability
Authors: Dell Z. R. , Pandian A. , Bhowmick A. K. , Swisher N. C. , Stanic M. , Stellingwerf R. F. , Abarzhi S. I.
Published: August 2017

We focus on the classical problem of the dependence on the initial conditions of the initial growth-rate of strong shock driven Richtmyer-Meshkov instability (RMI) by developing a novel empirical model and by employing rigorous theories and Smoothed Particle Hydrodynamics simulations to describe the simulation data with statistical confidence in a broad parameter regime. For the given values of the shock strength, fluid density ratio, and wavelength of the initial perturbation of the fluid interface, we find the maximum value of the RMI initial growth-rate, the corresponding amplitude scale of the initial perturbation, and the maximum fraction of interfacial energy. This amplitude scale is independent of the shock strength and density ratio and is characteristic quantity of RMI dynamics. We discover the exponential decay of the ratio of the initial and linear growth-rates of RMI with the initial perturbation amplitude that excellently agrees with available data.
High-quality metamaterial dispersive grating on the facet of an optical fiber
Authors: Savinov V. , Zheludev N. I.
Published: August 2017

Bragg gratings fabricated along the mode propagation direction in optical fibers are a powerful technology for controlling dispersion. Here, we show that a dielectric metamaterial grating with sub-wavelength period fabricated in the thin layer of silicon on the fiber facet exhibits transmission resonance with the quality factor exceeding 300. We demonstrate how focused ion beam patterning, commonly expected to degrade the optical performance of materials, can be exploited to create low-loss photonic nanostructures on the fiber facet. Only a few tens of nanometers in thickness, such facet gratings can be used in compact interconnects, dispersion compensation, and sensing applications.
Atomistic mechanisms of orientation and temperature dependence in gold-catalyzed silicon growth
Authors: Wang Yanming , Santana Adriano , Cai Wei
Published: August 2017

Gold-catalyzed vapor-liquid-solid (VLS) growth is widely used in the synthesis of silicon-based low-dimensional nano-structures. However, its growth mechanisms are not fully understood yet. In this paper, we systematically study the orientation and temperature dependences in the VLS process, by means of long molecular dynamics (MD) simulations up to 100 ns using an MEAM potential that well reproduces the binary phase diagram. The crystal growth velocities are extracted from the simulations under various conditions for 〈110〉 and 〈111〉 orientations, respectively. Our data suggest a linear dependence of the growth velocity on the Si supersaturation for 〈110〉 growth, in contrast to a non-linear dependence for 〈111〉 growth. By analyzing the surface morphologies, this difference is linked to the continuous growth mechanism on the {110} substrate and the island nucleation controlled growth on the {111} substrate. Furthermore, we find that the 〈111〉 growth in our MD simulations operates in the regime where the nucleation rate is higher than the island expansion rate. This is traced to the formation of a gold saturated monolayer above the nucleated Si island, impeding its further growth. Also, it is found that the atom activity near the {111} interface is lower, explaining the smaller growth velocity of the {111} surface than that of the {110} surface.
Contact angles from Young’s equation in molecular dynamics simulations
Authors: Jiang Hao , Müller-Plathe Florian , Panagiotopoulos Athanassios Z.
Published: August 2017

We propose a method to calculate the equilibrium contact angle of heterogeneous 3-phase solid/fluid/fluid systems using molecular dynamics simulations. The proposed method, which combines the phantom-wall method [F. Leroy and F. Müller-Plathe, J. Chem. Phys. 133, 044110 (2010)] and Bennett’s acceptance ratio approach [C. H. Bennett, J. Comput. Phys. 22, 245 (1976)], is able to calculate the solid/fluid surface tension relative to the solid surface energy. The calculated relative surface tensions can then be used in Young’s equation to estimate the equilibrium contact angle. A fluid droplet is not needed for the proposed method, in contrast to the situation for direct simulations of contact angles. In addition, while prior free-energy based methods for contact angles mainly focused on the wetting of fluids in coexistence with their vapor on solid surfaces, the proposed approach was designed to study the contact angles of fluid mixtures on solid surfaces above the fluid saturation pressures. Using the proposed approach, the contact angles of binary Lennard-Jones fluid mixtures on a non-polar solid substrate were calculated at various interaction parameters and the contact angle of water in equilibrium with CO2 on a hydrophilic polar silica surface was obtained. For both non-polar and polar systems, the calculated contact angles from the proposed method were in agreement with those obtained from the geometry of a cylindrical droplet. The computational cost of the proposed method was found to be comparable to that of simulations that use fluid droplets, but the new method provides a way to calculate the contact angle directly from Young’s equation without ambiguity.
A multi-plate velocity-map imaging design for high-resolution photoelectron spectroscopy
Authors: Kregel Steven J. , Thurston Glen K. , Zhou Jia , Garand Etienne
Published: September 2017

A velocity map imaging (VMI) setup consisting of multiple electrodes with three adjustable voltage parameters, designed for slow electron velocity map imaging applications, is presented. The motivations for this design are discussed in terms of parameters that influence the VMI resolution and functionality. Particularly, this VMI has two tunable potentials used to adjust for optimal focus, yielding good VMI focus across a relatively large energy range. It also allows for larger interaction volumes without significant sacrifice to the resolution via a smaller electric gradient at the interaction region. All the electrodes in this VMI have the same dimensions for practicality and flexibility, allowing for relatively easy modifications to suit different experimental needs. We have coupled this VMI to a cryogenic ion trap mass spectrometer that has a flexible source design. The performance is demonstrated with the photoelectron spectra of S− and CS2−. The latter has a long vibrational progression in the ground state, and the temperature dependence of the vibronic features is probed by changing the temperature of the ion trap.
CNS-resident progenitors direct the vascularization of neighboring tissues
Authors: Matsuoka Ryota L. , Rossi Andrea , Stone Oliver A. , Stainier Didier Y. R.
Published: August 2017

Significance

The formation of the vascular network surrounding the central nervous system (CNS) is important for its subsequent vascularization. Previous work has suggested that the developing neural tube provides signals to recruit the endothelial cells that form the peri-neural vascular plexus (PNVP), a vascular network that surrounds the CNS. Here, we identify a critical role for CNS-resident progenitors in directing multistep angiogenic processes required for PNVP formation. Genetic ablation of CNS-resident progenitors in zebrafish affects the formation of the vascular network in tissues adjacent to the spinal cord. Genetic inactivation of Vegfab/Vegfr2 signaling phenocopies these vascular defects, and CNS-resident progenitors serve as a source of Vegfab. Mosaic overexpression of Vegfab in these progenitors induces ectopic blood vessels directed toward their endfeet.
Binding mechanism and dynamic conformational change of C subunit of PKA with different pathways
Authors: Chu Wen-Ting , Chu Xiakun , Wang Jin
Published: August 2017

Significance

PKA is one of the largest kinase families in eukaryotes. The conformational change of catalytic subunit of PKA (PKAc) is linked to the substrate recognition and catalytic activity. We quantified the free energy landscapes of PKAc dynamics and uncovered the binding mechanism of two different ligands, ATP and PKI to PKAc, by using the weighted coarse-grained model and molecular dynamics simulations. Our results suggest mixed binding mechanism of induced fit and conformational selection and favor the pathway with PKAc-ATP as an intermediate (ATP binding first). Also, our studies indicate the critical residues at different stages of binding during the conformational change process from open to closed states.
An epigenetic switch repressing
Tet1
in gonadotropes activates the reproductive axis
Authors: Yosefzon Yahav , David Cfir , Tsukerman Anna , Pnueli Lilach , Qiao Sen , Boehm Ulrich , Melamed Philippa
Published: August 2017

Significance

We present an epigenetic switch in the central control of reproduction as a truncated TET1, expressed in proliferating gonadotrope-precursor cells, which inhibits
Lhb
expression and so must be repressed for reproductive development. Expression of this TET1 isoform is regulated by
cis
-elements mediating effects of gonadal steroids and PKA, and also a potentially methylated distal enhancer. As this isoform appears more common than the canonical TET1 in other differentiated tissues, our study has broader functional implications outside of the reproductive axis. Furthermore, our findings support the idea that distinct genomic regions are used at different developmental stages or in different tissues, and that a particular sequence can be part of the primary transcript in some tissues or an enhancer RNA in others.
Artificial intelligence and knowledge management: questioning the tacit dimension
Authors: Sanzogni Louis , Guzman Gustavo , Busch Peter
Published: September 2017

Knowledge management (KM) has matured to the point that many organisations either believe they have such practices in place or at least understand they are relevant to the knowledge work commonly undertaken in many industries. What is lacking from the literature, however, is a solid foundation for the philosophies underpinning KM and particularly for how tacit knowledge informs the KM space. Research over decades shows tacit knowledge underpins all other forms of knowledge, enabling the interpretation and judicious application of knowledge, leading (at its highest levels) to the concept of wisdom. As an academic discipline, artificial intelligence (AI) was established before KM, has been grounded in the computing discipline for many decades, and is applied broadly in many domains. This paper explores how AI can inform the KM debate. Rather than simply provide examples of AI success stories as applied to KM in practice, it explores the theoretical and practical limitations of AI and KM in unison, providing at the same time a strong epistemological understanding of both disciplines as a means of furthering the knowledge debate, with particular emphasis on the role of tacit knowledge within this jurisdiction.
Knowing too much: Knowledge of energy content prevents liking change through flavour-nutrient associations
Authors: Gould Natalie J , Zandstra Elizabeth H , Yeomans Martin R
Published: August 2017

Associations between flavours and the consequences of ingestion can lead to changes in flavour liking depending on nutrient content, an example of flavour-nutrient learning (FNL). Expectations about the consequences of ingestion can be modified by information at the point of ingestion, such as nutritional labelling. What is unknown is the extent to which these label-based expectations modify FNL. Since nutrient information can alter expectations about how filling a product would be, we hypothesised that labels predicting higher energy (HE) content would enhance satiety and so promote more rapid flavour learning. To test this, participants consumed either a lower energy (LE: 164 kcal) or HE (330 kcal) yoghurt breakfast on four separate days, either with no product label or with labels displaying either the actual energy content (Congruent label) or inaccurate energy (Incongruent label). Participants rated liking on all four days: on Days 1 and 4, they could also consume as much as they liked, but consumed a fixed amount (300 g) on Days 2 and 3. Both liking and intake increased with exposure in the HE, and decreased in the LE, condition when unlabelled in line with FNL. In contrast, no significant changes were seen in either the Congruent or Incongruent label conditions. Contrary to predictions, these data suggest that FNL occurs when there is an absence of explicit expectations of actual nutrient content, with both accurate and inaccurate information on nutrient content disrupting learning.
Karyopherins regulate nuclear pore complex barrier and transport function
Authors: Kapinos Larisa E. , Huang Binlu , Rencurel Chantal , Lim Roderick Y.H.
Published: September 2017

Nucleocytoplasmic transport is sustained by karyopherins (Kaps) and a Ran guanosine triphosphate (RanGTP) gradient that imports nuclear localization signal (NLS)–specific cargoes (NLS-cargoes) into the nucleus. However, how nuclear pore complex (NPC) barrier selectivity, Kap traffic, and NLS-cargo release are systematically linked and simultaneously regulated remains incoherent. In this study, we show that Kapα facilitates Kapβ1 turnover and occupancy at the NPC in a RanGTP-dependent manner that is directly coupled to NLS-cargo release and NPC barrier function. This is underpinned by the binding affinity of Kapβ1 to phenylalanine–glycine nucleoporins (FG Nups), which is comparable with RanGTP·Kapβ1, but stronger for Kapα·Kapβ1. On this basis, RanGTP is ineffective at releasing standalone Kapβ1 from NPCs. Depleting Kapα·Kapβ1 by RanGTP further abrogates NPC barrier function, whereas adding back Kapβ1 rescues it while Kapβ1 turnover softens it. Therefore, the FG Nups are necessary but insufficient for NPC barrier function. We conclude that Kaps constitute integral constituents of the NPC whose barrier, transport, and cargo release functionalities establish a continuum under a mechanism of Kap-centric control.
WDR91 is a Rab7 effector required for neuronal development
Authors: Liu Kai , Xing Ruxiao , Jian Youli , Gao Zhiyang , Ma Xinli , Sun Xiaojuan , Li Yang , Xu Meng , Wang Xin , Jing Yudong , Guo Weixiang , Yang Chonglin
Published: August 2017

Early-to-late endosome conversion, which is essential for delivery of endosomal cargoes to lysosomes, requires switching of early endosome–specific Rab5 and PtdIns3P to late endosome–specific Rab7 and PtdIns(3,5)P2. In this study, we identify the WD40-repeat protein WDR91 as a Rab7 effector that couples Rab switching with PtdIns3P down-regulation on endosomes. Loss of WDR91 greatly increases endosomal PtdIns3P levels, arresting endosomes at an intermediate stage and blocking endosomal–lysosomal trafficking. WDR91 is recruited to endosomes by interacting with active guanosine triphosophate–Rab7 and inhibits Rab7-associated phosphatidylinositol 3-kinase activity. In mice, global Wdr91 knockout causes neonatal death, whereas brain-specific Wdr91 inactivation impairs brain development and causes postnatal death. Mouse neurons lacking Wdr91 accumulate giant intermediate endosomes and exhibit reduced neurite length and complexity. These phenotypes are rescued by WDR91 but not WDR91 mutants that cannot interact with Rab7. Thus, WDR91 serves as a Rab7 effector that is essential for neuronal development by facilitating endosome conversion in the endosome–lysosome pathway.
DNA damage-induced immune response: Micronuclei provide key platform
Authors: Gekara Nelson O.
Published: August 2017

DNA damage–induced activation of the cytoplasmic DNA sensor cGAS influences the outcome of infections, autoinflammation, and cancer. Recent studies by Harding et al. (2017. Nature. http://dx.doi.org/10.1038/nature23470), Mackenzie et al. (2017. Nature. http://dx.doi.org/10.1038/nature23449), and Bartsch et al. (2017. Human Molecular Genetics. https://doi.org/10.1093/hmg/ddx283) demonstrate a role for micronuclei formation in DNA damage–induced immune activation.
SMLocalizer, a GPU accelerated ImageJ plugin for single molecule localization microscopy
Authors: Bernhem Kristoffer , Brismar Hjalmar
Published: September 2017

SMLocalizer combines the availability of ImageJ with the power of GPU processing for fast and accurate analysis of single molecule localization microscopy data. Analysis of 2D and 3D data in multiple channels is supported.

Availability and implementation

Plugin freely available for Fiji and ImageJ2.0 through https://sourceforge.net/projects/smlocalizer/. Plugin also available for continuous updates through ImageJ update system, add http://sites.imagej.net/Cellular-Biophysics-KTH/ as update site in ImageJ. Java and CUDA source code freely available on the web at https://github.com/KristofferBernhem/SMlocalizer.

Supplementary information

Supplementary data are available at Bioinformatics online.
2. Bargaining and agreeing
Authors: Arvind TT
Published: August 2017

This chapter focuses on agreement between parties as a requirement in the formation of a contract. Agreement is said to be reached when one party (the ‘offeror’) makes an offer to another proposing certain terms by which he intends to be bound, which that other party accepts as made. An agreement will only be taken to have been reached if the acceptance perfectly mirrors the offer. This chapter first examines the relatively straightforward situation of a seller and buyer bargaining over a prospective sale. It explains the distinction between an offer, an invitation to treat, and a counter-offer, as well as the importance of communicating acceptance and applicability of the postal rule to modern forms of communication. It also considers how the principles of offer and acceptance translate to other forms of contracting. The chapter covers the most influential and important cases in the subject area.
13. Controlling contract terms
Authors: Arvind TT
Published: August 2017

This chapter examines how the law regulates contract terms, with particular emphasis on rules that are intended to protect weaker parties. It begins with a discussion of the limits of freedom of contract and proceeds by assessing the role played by formal requirements, such as the requirement that contracts be in writing. It then considers how the law regulates contract terms which seek to alter the liability that one party will have in the event of breach. More specifically, it looks at exclusion clauses in the common law and the statutory regulation of such clauses, along with liquidated damages, contractual remedies, and the rule against penalties. It also explores the extent to which consumer protection law restricts the terms that can be included in consumer contracts, especially when dealing with the problem of unfair terms.
Introduction: The new vision
Authors: Liebling Alison , Maruna Shadd , McAra Lesley
Published: August 2017

In this chapter, we review developments in the field of criminology since the first editors began this project, pay tribute to their efforts, and outline our vision for the new edition. We argue that British criminology has developed a unique character of its own, shaped by the backgrounds and proclivities of key individual scholars, but also by the history, culture, and organization of British universities and society. This volume constitutes a living archive—a marked step in the life narrative of our field and a celebration of its growing strengths and popularity as a subject.