bluuebunny/crossref_metadata_2025 huggingface dataset:
Toward Understanding the Diverse Impacts of Air‐Sea Interactions on MJO Simulations
Authors: Fu Joshua‐Xiouhua , Wang Wanqiu , Shinoda Toshiaki , Ren Hong‐Li , Jia Xiaolong
Published: October 2017

The role of air‐sea interactions on MJO simulations has long been recognized. However, the reasons for the variation of the impacts of air‐sea coupling among different models are still elusive. In this study, we used NCEP GFS under different cumulus schemes and SST conditions to explore this issue. We focused on the Oct‐MJO and Nov‐MJO during the DYNAMO IOP. We show that the effects of SST‐feedback on MJO simulations not only vary between these two MJO events, but are also very sensitive to the specifics of cumulus schemes and intraseasonal SST forcing. The Oct‐MJO basically reinvigorates over Indian Ocean in association with the arrival of global circumnavigating mode. The Nov‐MJO is largely reinvigorated by a robust intraseasonal SST anomaly over Indian Ocean. We found that SST‐feedback is crucial for the existence of the Nov‐MJO, but has little effect on the Oct‐MJO. This finding raises the possibility that the occurrence of some MJO events may be rooted in air‐sea interactions. These results suggest that the diverse impacts of air‐sea coupling on MJO simulations can be attributed to at least the following three potential causes: (i) diverse responses of ocean to individual MJO events in nature; (ii) diverse behaviors of various cumulus parameterizations; and (iii) diverse intraseasonal SST anomalies in coupled models. Either a too weak internal MJO mode in atmospheric models or a too weak intraseasonal SST anomaly in coupled models would lead to the underestimation of the impacts of air‐sea coupling on MJO simulations.
The Evolution of Juventae Chasma, Valles Marineris, Mars: Progressive Collapse and Sedimentation
Authors: Fueten F. , Novakovic N. , Stesky R. , Flahaut J. , Hauber E. , Rossi A. P.
Published: October 2017

Juventae Chasma is an isolated chasm located north of the interconnected chasms within Valles Marineris. It contains four separate interior layered deposit (ILD) mounds. We have combined layer measurements, as well as mineralogical data of the mounds with topographic data of the remaining chasm and the surrounding plateau. Our observations indicate that the chasm underwent a complex geological history. We suggest that individual ILD mounds are not contemporaneous with each other and a series of progressive collapses enlarged an initially smaller chasm to its current shape. ILDs were deposited in a lacustrine setting, and the time of ILD deposition was limited. Basin collapse and chasm enlargement continued beyond the time of ILD deposition and thus were not driven by sediment load. Glacial processes appear to have played a role in the late, postlacustrine history of the chasm. We present a simplified model that highlights some of the complexity of the chasm evolution, but acknowledge that the true history is undoubtedly more complicated.
Tracing Sediment Erosion in the Yangtze River Subaqueous Delta Using Magnetic Methods
Authors: Ge Can , Zhang Weiguo , Dong Chenyin , Wang Feng , Feng Huan , Qu Jianguo , Yu Lizhong
Published: October 2017

We assessed the usefulness of magnetic properties for tracing sediment erosion in a deltaic environment. Surface and core sediments from the Yangtze River subaqueous delta were subjected to magnetic, granulometric, geochemical, and radionuclide analyses. Based on magnetic properties and particle size, the surface sediments can be divided into three groups. Groups I and II have a similar particle size distribution and geochemical composition, but the former has higher values of magnetic susceptibility (χ) and saturation isothermal remanent magnetization (SIRM). We interpret Group I as consisting of modern sediments, while Group II represents previously buried sediments that have undergone significant reductive diagenesis and that have been subsequently exposed by erosion. Group III has coarser particle size, which reflects the mixing of delta sediments with Pleistocene relict sands. Two cores from the areas occupied by Groups I and II have significantly different magnetic profiles. Core A3‐4 (Group II) records a partial loss of magnetic mineral concentration due to diagenesis and has much lowerχ, SIRM, andS−300values than core A6‐2 (Group I). Radionuclide dating reveals that core A3‐4 sediments are older. We conclude that core A3‐4 location has undergone erosion, which is consistent with recent bathymetric survey results. We propose that the ratio of SIRM/Fe can be potentially used to trace mobilized old sediment in this environment. Our study demonstrates that magnetic properties provide a robust approach for studying sediment dynamics in this type of environment. In addition, our findings provide insights into the nature of biogeochemical processes associated with deltaic erosion.
Estimating the Spatial Extent of Unsaturated Zones in Heterogeneous River‐Aquifer Systems
Authors: Schilling Oliver S. , Irvine Dylan J. , Hendricks Franssen Harrie‐Jan , Brunner Philip
Published: October 2017

The presence of unsaturated zones at the river‐aquifer interface has large implications on numerous hydraulic and chemical processes. However, the hydrological and geological controls that influence the development of unsaturated zones have so far only been analyzed with simplified conceptualizations of flow processes, or homogeneous conceptualizations of the hydraulic conductivity in either the aquifer or the riverbed. We systematically investigated the influence of heterogeneous structures in both the riverbed and the aquifer on the development of unsaturated zones. A stochastic 1‐D criterion that takes both riverbed and aquifer heterogeneity into account was developed using a Monte Carlo sampling technique. The approach allows the reliable estimation of the upper bound of the spatial extent of unsaturated areas underneath a riverbed. Through systematic numerical modeling experiments, we furthermore show that horizontal capillary forces can reduce the spatial extent of unsaturated zones under clogged areas. This analysis shows how the spatial structure of clogging layers and aquifers influence the propensity for unsaturated zones to develop: In riverbeds where clogged areas are made up of many small, spatially disconnected patches with a diameter in the order of 1 m, unsaturated areas are less likely to develop compared to riverbeds where large clogged areas exist adjacent to unclogged areas. A combination of the stochastic 1‐D criterion with an analysis of the spatial structure of the clogging layers and the potential for resaturation can help develop an appropriate conceptual model and inform the choice of a suitable numerical simulator for river‐aquifer systems.
Bjerknes Forces in Motion: Long‐Range Translational Motion and Chiral Directionality Switching in Bubble‐Propelled Micromotors via an Ultrasonic Pathway
Authors: Moo James Guo Sheng , Mayorga‐Martinez Carmen C. , Wang Hong , Teo Wei Zhe , Tan Beng Hau , Luong Trung Dung , Gonzalez‐Avila Silvestre Roberto , Ohl Claus‐Dieter , Pumera Martin
Published: October 2017

Manipulation of a micromotor's locomotion has been the ultimate aim of scientists and engineers alike. While numerous roadmaps have been cast, the interswitching of the locomotion and directionality of these miniaturized machines remains elusive. In this report, ultrasound is utilized to produce stop/go motion on bubble‐propelled micromotors via Bjerknes forces. An intricate study using high‐speed camera on the interactions between the bubbles and micromotor is undertaken. The reciprocal action between oscillating bubbles aggregates and ejected microbubbles in an acoustic field demonstrate influence on the motion of the micromotor. Long‐range translational motion can be induced into the micromotor, when repulsive forces between bubble aggregates and ejected microbubbles are manifested in an acoustic field by Bjerknes forces. Additionally, such ultrasonic pulses demonstrate capability to change the directionality of the micromotor, where chirality of the locomotion can be switched. Here, introduction of pulses of ultrasonic irradiation demonstrates new capabilities to switch the motion of bubble‐propelled micromotors.
Electrical Heating‐Assisted Multiple Coating Method for Fabrication of High‐Performance Perovskite Fiber Solar Cells by Thickness Control
Authors: Chen Buxin , Chen Si , Dong Bin , Gao Xue , Xiao Xinyu , Zhou Jingbo , Hu Jing , Tang Sheng , Yan Kai , Hu Hsienwei , Sun Keyi , Wen Wen , Zhao Zhan , Zou Dechun
Published: October 2017

Although methods for perovskite morphology and thickness control have significantly improved the power conversion efficiency (PCE) of planar solar cell, they are rarely investigated in the field of fiber solar cell. Electrical heating‐assisted multiple coating, as a solution‐based film process, is proposed for the first time to control perovskite coverage and thickness on metal fiber. It solves the challenges by continuous deposition and hot coating technique. Study of film formation mechanism indicates that adding a drying procedure ensures steady deposition during continuous coating. Continuous deposition feature allows improving film coverage and controlling thickness by simply changing the number of coating times, which differentiate this method from other techniques. In addition, electrical heating is applied to accelerate film formation and perovskite transformation. Thus, a fully covered thin film of perovskite is obtained due to the improved perovskite loading and homogeneity. Corresponding devices achieve a high average PCE of 6.58% with a narrow standard deviation of 0.558. Above that, characterizations demonstrate difficulties in balancing high coverage and appropriate thickness accounts for the wide distribution of PCE and poor reproducibility. It is anticipated this method can move the field toward high efficiency and reproducibility goals.
Enhanced Self‐Powered UV Photoresponse of Ferroelectric PZT Materials by Pyroelectric Effect
Authors: Song Kai , Ma Nan , Yang Ya
Published: October 2017

Semiconductor materials based UV photodetectors can be operated via photovoltaic effect by converting UV light into electric signals. Recent studies have been focused on how to fabricate excellent semiconductor materials based photodetectors through construction of heterojunctions, which may not be suitable for practical large‐scale devices due to the high cost and sophisticated fabrication process. Here, by utilizing naturally existing temperature change of UV illumination and the pyroelectric effect of ferroelectric materials, a novel self‐powered UV photodetector based on Pb(Zr,Ti)O3 (PZT) material is presented through a simple fabricating process, which can be well utilized to detect 365 nm UV light by using light‐induced temperature variation. Under a temperature change rate of 2.40 K s−1, the voltage response and the corresponding responsivity can be enhanced by larger than 6600% as compared with that of individual UV light illumination. This study provides a feasible solution to realize self‐powered UV light detection by utilizing light‐induced pyroelectric effect in PZT.
Complementary Switching in 3D Resistive Memory Array
Authors: Banerjee Writam , Xu Xiaoxin , Lv Hangbing , Liu Qi , Long Shibing , Liu Ming
Published: October 2017

High‐density application of 3D vertical crossbar resistive random access memory (3D‐VRRAM) is challenging due to sneak leakage paths, which can be combated by using nonlinear low resistance state or complementary resistive switching (CRS). This work presents high‐resolution transmission electron microscopy (HRTEM) observation of nanofilaments during resistive switching (RS) in a TiOx/Al2O3‐based bilayer submicrometer 3D‐VRRAM hybrid device and the reset‐failure‐induced transformation from RS to CRS. The complete concept is divided into two parts. The first part is RS, where the devices show reliable switching, stable resistance levels, good retention, and moderately higher nonlinear behavior at the low resistance state. The RS mechanism is confirmed by an HRTEM image of a clear formation of conductive Ti5O9 nanofilament followed by a tunnel gap. The second part presents the realization of CRS operation after the reset failure in common electrodeless TiOx/Al2O3‐based 3D‐VRRAM hybrid devices. The formation of a series resistor along with the filament is the reason behind the evolution of the CRS mode. Higher nonlinearity is achieved under CRS as compared to RS. Further to this, for broad applications, it is essential to examine similar phenomena in other 3D‐VRRAM systems.
A dynamic game theoretic framework for process plant competitive upgrade and production planning
Authors: Tominac Philip , Mahalec Vladimir
Published: October 2017

A dynamic potential game theoretic production planning framework is presented in which production plants are treated as individual competing entities and competition occurs dynamically over a discrete finite time horizon. A modified Cournot oligopoly with sticky prices provides the basis for dynamic game theoretic competition in a multimarket nonlinear and nonconvex production planning model wherein market price adapts to a value that clears cumulative market supply. The framework is used to investigate a petrochemical refining scenario in which a single inefficient refiner faces elimination by its competitors; we demonstrate that there exist conditions under which the threatened refiner may upgrade itself to become competitive and escape the threat, or alternatively in which the threat of elimination is illegitimate and the refiner is effectively safe in the given market configuration. Globally optimal dynamic Nash equilibrium production trajectories are presented for each case. © 2017 American Institute of Chemical Engineers AIChE J, 64: 916–925, 2018
A thermodynamic investigation of adsorbate‐adsorbate interactions of carbon dioxide on nanostructured carbons
Authors: Murialdo Maxwell , Ahn Channing C. , Fultz Brent
Published: October 2017

A thermodynamic study of carbon dioxide adsorption on a zeolite‐templated carbon (ZTC), a superactivated carbon (MSC‐30), and an activated carbon (CNS‐201) was carried out at temperatures from 241 to 478 K and pressures up to 5.5•106 Pa. Excess adsorption isotherms were fitted with generalized Langmuir‐type equations, allowing the isosteric heats of adsorption and adsorbed‐phase heat capacities to be obtained as a function of absolute adsorption. On MSC‐30, a superactivated carbon, the isosteric heat of carbon dioxide adsorption increases with occupancy from 19 to 21 kJ•mol−1, before decreasing at high loading. This increase is attributed to attractive adsorbate–adsorbate intermolecular interactions as evidenced by the slope and magnitude of the increase in isosteric heat and the adsorbed‐phase heat capacities. An analysis of carbon dioxide adsorption on ZTC indicates a high degree of binding‐site homogeneity. A generalized Law of Corresponding States analysis indicates lower carbon dioxide adsorption than expected. © 2017 American Institute of Chemical Engineers AIChE J, 64: 1026–1033, 2018
Towards a Step‐Economical and Waste‐Free [hmim]Br‐Catalyzed Deprotection of β‐Sulfido Carbonyl Groups into (E)‐Enones and Mechanistic Insights
Authors: Thopate Yogesh , Singh Richa , Sharma Tanuj , Siddiqi Mohammad I. , Sinha Arun K.
Published: October 2017

A neutral ionic liquid, [hmim]Br, catalyzed the direct dehydrosulfenylation of β‐sulfido carbonyl compounds under microwave irradiation into the corresponding α,β‐unsaturated compounds with exclusive trans selectivity in one pot. This procedure improves on conventional routes, which require an additional step for oxidation of the β‐sulfido carbonyl compounds into the corresponding sulfoxides/sulfones prior to the dehydrosulfenylation step in the presence of a metal catalyst/oxidant or a base/acid catalyst. Notably, this step‐economical and waste‐free dehydrosulfenylation procedure has also been extended to the generation of (E)‐dienes from γ‐hydroxy sulfido compounds through a tandem dehydrosulfenylation/dehydration process in [hmim]Br. Moreover, 1H NMR, MS (DART), and DFT studies provided insight into the progress and mechanism of this reaction, and revealed the crucial role of [hmim]Br in promoting the dehydrosulfenylation step, which, alongside the possible recyclability of [hmim]Br, make this procedure environmentally desirable.
Quantum Quenches with Random Matrix Hamiltonians and Disordered Potentials
Authors: Kolley Fabian , Bohigas Oriol , Fine Boris V.
Published: October 2017

We numerically investigate statistical ensembles for the occupations of eigenstates of an isolated quantum system emerging as a result of quantum quenches. The systems investigated are sparse random matrix Hamiltonians and disordered lattices. In the former case, the quench consists of sudden switching‐on the off‐diagonal elements of the Hamiltonian. In the latter case, it is sudden switching‐on of the hopping between adjacent lattice sites. The quench‐induced ensembles are compared with the so‐called “quantum micro‐canonical” (QMC) ensemble describing quantum superpositions with fixed energy expectation values. Our main finding is that quantum quenches with sparse random matrices having one special diagonal element lead to the condensation phenomenon predicted for the QMC ensemble. Away from the QMC condensation regime, the overall agreement with the QMC predictions is only qualitative for both random matrices and disordered lattices but with some cases of a very good quantitative agreement. In the case of disordered lattices, the QMC ensemble can be used to estimate the probability of finding a particle in a localized or delocalized eigenstate.
Large Continuous Mechanical Gradient Formation via Metal–Ligand Interactions
Authors: Neal James A. , Oldenhuis Nathan J. , Novitsky Andrea L. , Samson Emil M. , Thrift William J. , Ragan Regina , Guan Zhibin
Published: October 2017

Mechanical gradients are often employed in nature to prevent biological materials from damage by creating a smooth transition from strong to weak that dissipates large forces. Synthetic mimics of these natural structures are highly desired to improve distribution of stresses at interfaces and reduce contact deformation in manmade materials. Current synthetic gradient materials commonly suffer from non‐continuous transitions, relatively small gradients in mechanical properties, and difficult syntheses. Inspired by the polychaete worm jaw, we report a novel approach to generate stiffness gradients in polymeric materials via incorporation of dynamic monodentate metal–ligand crosslinks. Through spatial control of metal ion content, we created a continuous mechanical gradient that spans over a 200‐fold difference in stiffness, approaching the mechanical contrast observed in biological gradient materials.
Anion Relay Chemistry: Development of an Effective Diastereoselective [3+2] Annulation Tactic Exploiting an Aldol/Brook Rearrangement/Cyclization Cascade
Authors: Han Heeoon , Smith Amos B.
Published: October 2017

An effective [3+2] annulation tactic for the construction of diverse bicyclic compounds possessing highly functionalized cyclopentane rings has been developed employing soft ketone enolates as the initial nucleophile for anion relay chemistry (ARC). The protocol entails a highly diastereoselective aldol/Brook rearrangement/cyclization cascade.
Analysis of Molecular Orientation in Organic Semiconducting Thin Films Using Static Dynamic Nuclear Polarization Enhanced Solid‐State NMR Spectroscopy
Authors: Suzuki Katsuaki , Kubo Shosei , Aussenac Fabien , Engelke Frank , Fukushima Tatsuya , Kaji Hironori
Published: October 2017

Molecular orientation in amorphous organic semiconducting thin‐film devices is an important issue affecting device performance. However, to date it has not been possible to analyze the “distribution” of the orientations. Although solid‐state NMR (ssNMR) spectroscopy can provide information on the “distribution” of molecular orientations, the technique is limited because of the small amount of sample in the device and the low sensitivity of ssNMR. Here, we report the first application of dynamic nuclear polarization enhanced ssNMR (DNP‐ssNMR) spectroscopy for the orientational analysis of amorphous phenyldi(pyren‐1‐yl)phosphine oxide (POPy2). The 31P DNP‐ssNMR spectra exhibited a sufficient signal‐to‐noise ratio to quantify the distribution of molecular orientations in amorphous films: the P=O axis of the vacuum‐deposited and drop‐cast POPy2 shows anisotropic and isotropic distribution, respectively. The different molecular orientations reflect the molecular origin of the different charge transport behaviors.
Preparation and Characterization of Polyamides and Nitrogen‐doped Carbons for Enhanced CO2 Capture
Authors: Rehman Adeela , Park Soo‐Jin
Published: October 2017

Porous organic polymers possessing CO2‐philic moieties have captured attention of the researchers due to efficient adsorption of gas molecules. By the condensation of organic rigid and contorted precursors, amide‐linked organic framework polymers with low skeletal density have been prepared via a cost‐effective protocol. Polyamide chains were synthesized via low temperature condensation of 2,4,6‐triamino‐1,3,5‐triazine with terephthaloyl chloride and isophthaloyl chloride to yield PA‐1 and PA‐2, respectively. The synthesized polymers were further carbonized at 600°C to fabricate nitrogen‐doped carbon materials (PA1‐600 and PA2‐600). The as‐prepared materials were analyzed by Fourier transform infrared (FTIR) spectroscopy, X‐ray photoelectron spectroscopy (XPS), X‐ray diffraction (XRD), field‐emission scanning electron microscopy (FE‐SEM), thermal gravimetric analysis (TGA), CHN elemental analysis, textural analysis, and CO2 adsorption measurements. The maximum CO2 uptake determined is 42.85 mg/g at 273 K and 1 bar. The triazine rings with basic nitrogen atoms and amide bonds in the main chain are responsible for CO2 capture by the polymers.
Synthesis and Evaluation of Novel 3‐Allylseleno‐6‐Alkylsulfonylpyridazine Derivatives with Potential Anticancer Properties
Authors: Kim Chaewon , Park Myung‐Sook
Published: October 2017

A new series of 3‐allylseleno‐6‐alkylsulfonylpyridazines and 3‐allylseleno‐6‐alkylsulfinylpyridazines were synthesized from 3,6‐dichloropyridazine for anticancer agent development. The inhibitory effects of 3‐allylseleno‐6‐alkylsulfonylpyridazines on human cancer cell lines were investigated. The synthesis involved thiolation, oxidation, selenylation, and Se‐allylation of alkylthiols. That is, sodium methanethiolate, ethanethiol, propanethiol, butanethiol, pentanethiol, and hexanethiol were inserted into the 6‐position of the pyridazine nucleus. These new synthetic compounds exhibited antiproliferative activity against human breast cancer (MCF‐7), hepatocarcinoma (Hep3B), and human colon carcinoma (RKO) cells in CCK‐8 assays, and are potential candidates for cancer chemotherapy.
ADAMS as an aid for teaching undergraduate dynamics
Authors: Mukherjee Satanik , Neogy Sumanta , Nandi Arghya
Published: October 2017

The objective of the present work is to use multi body dynamics package (like MSC Adams) for motivating undergraduate students in a Dynamics course by means of simulations—a step which lies between traditional board work and actual experimentation. It also deepens his understanding of mechanics by allowing him to compare ADAMS solution with manual solution and solution obtained through small user developed program segments. The student learns to appreciate why the manual solutions are specialized cases of general solutions and how and why trajectories are determined. In the process it discusses the logical structure of Dynamics as implemented in these packages. Such an approach would also introduce them to such powerful tools at an early stage. It provides detailed solution of three problems using Adams and brief solutions to eight more. It is expected once these examples are mastered, most of the problems in undergraduate dynamics can be tackled using Adams.
Constituents of the Argentine Liverwort Plagiochila diversifolia and Their Insecticidal Activities
Authors: Ramírez Marta , Kamiya Norma , Popich Susana , Asakawa Yoshinori , Bardón Alicia
Published: October 2017

Three new compounds, a bicyclogermacrene (1) and two 2,3‐secoaromadendrane esters (2 and 3), together with (13S)‐13‐hydroxylabda‐8,14‐diene (4), fusicogigantone B (5), 3α,14‐diacetoxy‐2‐hydoxybicyclogermacrene (6), fusicogigantone A (7), neofuranoplagiochilal (8), plagiochiline B (9), furanoplagiochilal (10), trans‐nerolidol, spathulenol, α‐tocopherol, and (+)‐globulol were isolated from an Argentine collection of Plagiochila diversifolia. Their structures were elucidated by extensive mono and bidimensional NMR studies. Compounds 4, 5, and 6, incorporated to the larval diet at 100 μg per g of diet, reduced the larval growth of Spodoptera frugiperda (Lepidoptera: Noctuidae) by 70 ± 25, 57 ± 23, and 33 ± 16%, respectively. Compounds 4 and 5 produced 70% and 60% larval mortality at early instars. The latter also showed antifeedant properties in the Choice Test, with a feeding ratio of 0.54 ± 0.16.
Intron length polymorphism of β‐tubulin genes of Aegilops biuncialis Vis
Authors: Rabokon Anastasiia , Demkovych Andrii , Sozinov Alexei , Kozub Natalia , Sozinov Igor , Pirko Yaroslav , Blume Yaroslav
Published: October 2017

Intron‐specific DNA polymorphism is present among plant β‐tubulin gene family members and is considered to be one of the molecular markers based on the difference of tubulin introns length assayed both separately (TBP: 1st intron) or in combination (h‐TBP: 1st and 2nd introns). These two approaches are possibly useful for wheat breeding programs, since TBP and h‐TBP help to differentiate between the accessions of Aegilops biuncialis Vis., a wild relative of wheat. PCR‐derived polymorphic fragments were resolved by PAGE electrophoresis. The length of amplicons varied significantly (395–3900 bp for TBP and 466–3440 bp for h‐TBP), while the numbers of polymorphic bands were 21 for TBP and 23 for h‐TBP, respectively. PIC mean value was circa 0.3. Dendrograms constructed on the basis of the Nei and Li coefficient with the high bootstrap support reveal a similar order of hierarchy for the samples analyzed using both methods. Thus, both techniques uncover DNA polymorphism level sufficiently high to distinguish different accessions of Ae. biuncialis Vis.
Structural and functional features of lysine acetylation of plant and animal tubulins
Authors: Rayevsky Alexey V. , Sharifi Mohsen , Samofalova Dariya A. , Karpov Pavel A. , Blume Yaroslav B.
Published: October 2017

The study of the genome and the proteome of different species and representatives of distinct kingdoms, especially detection of proteome via wide‐scaled analyses has various challenges and pitfalls. Attempts to combine all available information together and isolate some common features for determination of the pathway and their mechanism of action generally have a highly complicated nature. However, microtubule (MT) monomers are highly conserved protein structures, and microtubules are structurally conserved from Homo sapiens to Arabidopsis thaliana. The interaction of MT elements with microtubule‐associated proteins and post‐translational modifiers is fully dependent on protein interfaces, and almost all MT modifications are well described except acetylation. Crystallography and interactome data using different approaches were combined to identify conserved proteins important in acetylation of microtubules. Application of computational methods and comparative analysis of binding modes generated a robust predictive model of acetylation of the ϵ‐amino group of Lys40 in α‐tubulins. In turn, the model discarded some probable mechanisms of interaction between elements of interest. Reconstruction of unresolved protein structures was carried out with modeling by homology to the existing crystal structure (PDBID: 1Z2B) from B. taurus using Swiss‐model server, followed by a molecular dynamics simulation. Docking of the human tubulin fragment with Lys40 into the active site of α‐tubulin acetyltransferase, reproduces the binding mode of peptidomimetic from X‐ray structure (PDBID: 4PK3).
CacyBP/SIP inhibits the migration and invasion behaviors of glioblastoma cells through activating Siah1 mediated ubiquitination and degradation of cytoplasmic p27
Authors: Yan Shiwei , Li Aimin , Liu Yuguang
Published: October 2017

Calcyclin‐binding protein or Siah‐1‐interacting protein (CacyBP/SIP) has been reported to be up‐regulated and plays an important role in promoting cell proliferation in human glioma. However, the effect of CacyBP/SIP on glioma cell motility is still unclear. Here, to our surprise, CacyBP/SIP was found to inhibit the migration and invasion of glioma cells U251 and U87. Silencing of CacyBP/SIP significantly promoted the migration and invasion behaviors of glioma cells. On the contrary, overexpression of CacyBP/SIP obviously suppressed them. Further investigation indicated that silencing of CacyBP/SIP significantly reduced the interaction between Siah1 and cytoplasmic p27, which in turn attenuated the ubiquitination and degradation of cytoplasmic p27. In contrast, overexpression of CacyBP/SIP promoted the interaction between Siah1 and cytoplasmic p27, which in turn increased the ubiquitination and degradation of cytoplasmic p27. Importantly, the degradation of p27 could be blocked by Siah1 knockdown. Finally, we found that CacyBP/SIP was reversely related to cytoplasmic p27 in human normal brain tissues and glioma tissues. Taken together, these results suggest that CacyBP/SIP plays an important role in inhibiting glioma cell migration and invasion through promoting the degradation of cytoplasmic p27.
Cefepime‐induced neurotoxicity in a pediatric patient on chronic hemodialysis: a case report
Authors: Guzman‐Limon Monica , Amatya Subha , Samuels Joshua , Swinford Rita , Bhatnagar Sonal , Samuel Joyce
Published: October 2017

Key Clinical Message

Impaired renal function increases the risk for cefepime‐induced neurotoxicity. Symptoms include disorientation, myoclonus, status epilepticus, ataxia, gait disturbance, coma, and death. A high index of suspicion and early recognition of symptoms can minimize the risk of progression of symptoms to permanent neurologic impairment or death.
Motivating Students through Practice‐Oriented Challenges – Didactic behind the Flowsheet Simulators
Authors: Schöneberger Jan C. , Fricke Armin
Published: October 2017

Ein neuer Ansatz zur didaktischen Verwendung von Fließbildsimulatoren wird vorgestellt. Beim Process Simulation Cup (PSC) wird ein Prozessfließbild mit einer gültigen Lösung zu einem bestimmten praxisrelevanten Problem vorgegeben. Studierende können im Rahmen dieses Wettbewerbs bessere Lösungen für die beschriebene Fragestellung einreichen. In diesem Beitrag werden die beiden bereits durchgeführten PSC2015 und PSC2016 sowie der aktuell stattfindende PSC2017 vorgestellt. Es wird über die Beteiligung, den pädagogischen Nutzen und die wissenschaftliche Weiterverwertung berichtet.
Analysis and Decomposition for Improved Convergence of Nonlinear Process Models in Chemical Engineering
Authors: Bublitz Saskia , Esche Erik , Tolksdorf Gregor , Mehrmann Volker , Repke Jens‐Uwe
Published: October 2017

Solving nonlinear equation systems as they occur in process simulation simultaneously, often fails due to ill‐conditioned models or bad initialization. To counteract these issues two methods have been implemented in the web‐based platform MOSAICmodeling. The Dulmage‐Mendelsohn algorithm forms a block diagonal Jacobian matrix. In addition, the bordered block transformation identifies variables that need to be carefully initialized due to their great influence on the system. Both methods are applied on two process models and their convergence and sensitivity towards initialization is analyzed.
Cover Image, Volume 74, Issue 10
Authors: Kee Anthony J. , Bryce Nicole S. , Yang Lingyan , Polishchuk Elena , Schevzov Galina , Weigert Roberto , Polishchuk Roman , Gunning Peter W. , Hardeman Edna C.
Published: October 2017

The cover image, by Anthony J. Kee et al., is based on the Short Report ER/Golgi trafficking is facilitated by unbranched actin filaments containing Tpm4.2, DOI: 10.1002/cm.21405.

image
Work‐efficient parallel union‐find
Authors: Simsiri Natcha , Tangwongsan Kanat , Tirthapura Srikanta , Wu Kun‐Lung
Published: October 2017

The incremental graph connectivity (IGC) problem is to maintain a data structure that can quickly answer whether two given vertices in a graph are connected, while allowing more edges to be added to the graph. IGC is a fundamental problem and can be solved efficiently in the sequential setting using a solution to the classical union‐find problem. However, sequential solutions are not sufficient to handle modern‐day large, rapidly‐changing graphs where edge updates arrive at a very high rate. We present the first shared‐memory parallel data structure for union‐find (equivalently, IGC) that is both provably work‐efficient (ie, performs no more work than the best sequential counterpart) and has polylogarithmic parallel depth. We also present a simpler algorithm with slightly worse theoretical properties, but which is easier to implement and has good practical performance. Our experiments on large graph streams with various degree distributions show that it has good practical performance, capable of processing hundreds of millions of edges per second using a 20‐core machine.
Nitrogen‐Doped Carbon Nanotubes Derived from Metal–Organic Frameworks for Potassium‐Ion Battery Anodes
Authors: Xiong Peixun , Zhao Xinxin , Xu Yunhua
Published: October 2017

To tackle the issue of the poor rate capability of graphite anodes for potassium‐ion batteries (KIBs), nitrogen‐doped carbon nanotubes (NCNTs) with an edge‐open layer‐alignment structure were synthesized using a simple and scalable approach of pyrolyzing cobalt‐containing metal–organic frameworks. The unique structure enables a facile and fast intercalation of K ions. As anodes of KIBs, the NCNTs demonstrated an improved rate capability by a high capacity retention of 102 mA h g−1 at a high current density of 2000 mA g−1 and a good stability without evident capacity loss over 500 cycles at 2000 mA g−1. Our findings can help to develop highperformance anode materials for potassium‐ion batteries as large‐scale and low‐cost energy‐storage systems.
CD5+ B lymphoproliferative disorder with subsequent development of plasma cell leukaemia: Diagnostic and aetiologic reasoning
Authors: Gounari Evdoxia , Kaiafa Georgia , Koletsa Triantafyllia , Tsavdaridou Vasiliki , Kostopoulos Ioannis , Toptsi Lilian , Skoura Lemonia
Published: October 2017

Background

Plasma cell myeloma (PCM) has been sporadically reported to occur simultaneously or subsequently to mature B lymphoproliferative disorders (LPDs), predominantly chronic lymphocytic leukaemia (CLL).

Methods

We describe the clinical and laboratory findings of a 69‐year‐old male patient who developed plasma cell leukaemia (PCL) 8 years after an initial diagnosis of a low stage CD5+ B LPD and 3 years after treatment for LPD.

Results

The transition from a clinically indolent B LPD to an aggressive PCM was documented by bone marrow (BM) biopsy, while flow cytometric (FC) immunophenotyping conferred additional information by disclosing the co‐existence of both disorders in BM and the presence of abnormal monotypic PCs in peripheral blood above PCL levels. Phenotypic findings suggested a discrete clonal origin of the two disorders.

Conclusions

This report of PCL development in a patient with residual CD5+ B LPD, emphasizes the need for comprehensive diagnostic evaluation of such cases and scrutiny of their aetiological relationship, including FC immunophenotyping due to its high analytical sensitivity and multiparametric capacity compared to morphology or immunohistochemistry alone. © 2017 International Clinical Cytometry Society
A Study of Pattern Recognition in Children Using Single‐Channel Electroencephalogram for Specialized Electroencephalographic Devices
Authors: KANOGA SUGURU , MITSUKURA YASUE
Published: October 2017

In this paper, we aim to classify two classes in children by using single‐channel electroencephalogram (EEG). EEG has been used to define neural patterns and to adjust the wide applicability to a larger population of healthy and diseased users. Specialized EEG devices have recently developed as for compact and portable measurement system using them in the real environment. If there is a multiplex state estimation system with EEG through a specialized EEG device, it would be a powerful tool for neuroscience studies and clinical applications. We first focused on the state of concentration; therefore, two kinds of single‐channel EEG signals (during meditation and concentration) from 10 children were measured. Recordings were processed to remove artifacts, and then extracted their periodic or nonperiodic features by three methods (Fourier transform, wavelet transform, and empirical mode decomposition). Elastic net logistic regression constructed predictive models to classify two classes of the optimized extracted features. A model showed 0.988 area under the receiver‐operating characteristic curve when wavelet transform was selected as feature extraction method. We next construct a multiplex state estimation system. Finally, we will make portable applications using a specialized EEG device that include the multiplex model and encourage children to develop the child's sense.
Electron Hopping between Fe 3 d States in Ethynylferrocene‐doped Poly(Methyl Methacrylate)‐poly(Decyl Methacrylate) Copolymer Membranes
Authors: Cuartero Maria , Acres Robert G. , Jarolímová Zdenka , Bakker Eric , Crespo Gaston A. , De Marco Roland
Published: October 2017

Synchrotron radiation‐valence band spectroscopy (SR‐VBS) has been utilized in a study of redox molecule valence states implicated in the electron hopping mechanism of ethynylferrocene in unplasticized poly(methyl methacrylate)‐poly(decyl methacrylate) [PMMA‐PDMA] membranes. In this communication, it is revealed that, at high concentrations of ethynylferrocene, there are observable Fe 3d valence states that are likely linked to electron hopping between ferrocene moieties of neighbouring redox molecules. Furthermore, electrochemically induced stratification of ethynylferrocene in an oxidized PMMA‐PDMA membrane produces a gradient of Fe 3d states toward the buried interface at the glassy carbon/PMMA‐PDMA membrane enabling electron hopping and electrochemical reactivity of dissolved ethynylferrocene across this buried film.
Impact of X‐irradiation on microglia
Authors: Menzel Franziska , Kaiser Nicole , Haehnel Susann , Rapp Felicitas , Patties Ina , Schöneberg Nina , Haimon Zhana , Immig Kerstin , Bechmann Ingo
Published: October 2017

Irradiation is widely used to treat brain tumors, and also to create bone marrow (BM) chimeras. BM chimeras are widely used to dissect functions and origin of microglia and blood‐derived mononuclear cells under homeostatic or pathological conditions. This is facilitated by the fact that microglia survive irradiation and are thus regarded radio‐resistant. In this study, we tested whether microglia are indeed radio‐resistant and looked for potential mechanisms that might explain this phenomenon. We analyzed the radio‐resistance of microglia independently of their physiological brain environment compared to other mononuclear cells from spleen and brain after X‐irradiation with 7 Gy or 30 Gy. Furthermore, we investigated long‐term effects of X‐irradiation on microglia using organotypic hippocampal slice cultures (OHSCs). We found a significant higher survival rate of isolated microglia 4 hr after X‐irradiation with 30 Gy accompanied by a decreased proliferation rate. Investigations of apoptosis‐related genes revealed no regulation of a specific antiapoptotic pathway but ataxia telangiectasia mutated (ATM), a DNA‐repair‐related gene, was significantly upregulated in isolated microglia 4 hr after 30 Gy. Irradiation of OHSCs with 7 and 30 Gy revealed a highly and significantly decreased cell number, morphological changes and an increase in migration velocity of microglia. Furthermore, cell loss, increased soma size and process length of microglia was also found in BM chimeras irradiated with 9.5 Gy 5 weeks after irradiation. Here, we present new evidence implying that microglia are not a homogeneous population of radio‐resistant cells and report on long‐term alterations of microglia that survived irradiation.
Validating the formative nature of psychological empowerment construct: Testing cognitive, emotional, behavioral, and relational empowerment components
Authors: Rodrigues Mariana , Menezes Isabel , Ferreira Pedro D.
Published: October 2017

The literature has recently raised the need to clarify the nature of psychological empowerment. There are theoretical and empirical evidences that this conceptualization may not be appropriate, and therefore other alternatives to the reflective measurement model should be considered. Consequently, serious problems may arise from the measurement model misspecification, undoubtedly compromising the development of empowerment theory and measurement. This empirical study constitutes an attempt to contribute to this debate, not only testing both reflective and formative models of psychological empowerment, to find the most appropriate modeling approach as a higher‐order multidimensional construct, but also validating a measure that assesses cognitive, emotional, behavioral, and relational components in a Portuguese youth community‐organizing context (N = 861). Confirmatory tetrad analyses results suggest a formative operationalization of psychological empowerment construct. These findings are supported by additional theoretical and empirical considerations. Additionally, the 46‐item index for measure psychological empowerment reveals satisfactory psychometric properties.
Identification of peptide‐binding sites within BSA using rapid, laser‐induced covalent cross‐linking combined with high‐performance mass spectrometry
Authors: Hauser Melinda , Qian Chen , King Steven T. , Kauffman Sarah , Naider Fred , Hettich Robert L. , Becker Jeffrey M.
Published: October 2017

We are developing a rapid, time‐resolved method using laser‐activated cross‐linking to capture protein‐peptide interactions as a means to interrogate the interaction of serum proteins as delivery systems for peptides and other molecules. A model system was established to investigate the interactions between bovine serum albumin (BSA) and 2 peptides, the tridecapeptide budding‐yeast mating pheromone (α‐factor) and the decapeptide human gonadotropin‐releasing hormone (GnRH). Cross‐linking of α‐factor, using a biotinylated, photoactivatable p‐benzoyl‐L‐phenylalanine (Bpa)–modified analog, was energy‐dependent and achieved within seconds of laser irradiation. Protein blotting with an avidin probe was used to detect biotinylated species in the BSA‐peptide complex. The cross‐linked complex was trypsinized and then interrogated with nano‐LC–MS/MS to identify the peptide cross‐links. Cross‐linking was greatly facilitated by Bpa in the peptide, but some cross‐linking occurred at higher laser powers and high concentrations of a non‐Bpa–modified α‐factor. This was supported by experiments using GnRH, a peptide with sequence homology to α‐factor, which was likewise found to be cross‐linked to BSA by laser irradiation. Analysis of peptides in the mass spectra showed that the binding site for both α‐factor and GnRH was in the BSA pocket defined previously as the site for fatty acid binding. This model system validates the use of laser‐activation to facilitate cross‐linking of Bpa‐containing molecules to proteins. The rapid cross‐linking procedure and high performance of MS/MS to identify cross‐links provides a method to interrogate protein‐peptide interactions in a living cell in a time‐resolved manner.
Feeling interrupted—Being responsive: How online messages relate to affect at work
Authors: Sonnentag Sabine , Reinecke Leonard , Mata Jutta , Vorderer Peter
Published: October 2017

Being constantly connected to others via e‐mail and other online messages is increasingly typical for many employees. In this paper, we develop and test a model that specifies how interruptions by online messages relate to negative and positive affect. We hypothesize that perceived interruptions by online messages predict state negative affect via time pressure and that perceived interruptions predict state positive affect via responsiveness to these online messages and perceived task accomplishment. A daily survey study with 174 employees (a total of 811 day‐level observations) provided support for our hypotheses at the between‐person and within‐person level. In addition, perceived interruptions showed a negative direct association with perceived task accomplishment. Our study highlights the importance of being responsive to online messages and shows that addressing only the negative effects of perceived interruptions does not suffice to understand the full impact of interruptions by online messages in modern jobs.
Effects of two different domestic boiling practices on the allergenicity of cow's milk proteins
Authors: Lamberti Cristina , Baro Cristina , Giribaldi Marzia , Napolitano Lorenzo , Cavallarin Laura , Giuffrida Maria Gabriella
Published: October 2017

BACKGROUND

The sale of raw drinking milk through automatic dispensers is permitted in some EU member states, but consumers are usually advised to boil the milk before consumption. The present study has been conducted to evaluate the effects of two common domestic boiling techniques on the proteins of raw milk and, in particular, on their potential allergenicity.

RESULTS

Native one‐dimensional electrophoresis, N‐terminal amino acid sequencing and immunoblotting have been used to characterize the protein pattern and to evaluate the possible changes in the allergenic properties of the processed milk. The main result of this investigation is that heating induces the aggregation of β‐lactoglobulin in higher‐molecular‐weight products, while caseins seem to be more resistant to the treatments. β‐Lactoglobulin aggregates have been found to be non‐immunoreactive with the sera of subjects suffering from cow's milk protein allergy.

CONCLUSION

Domestic boiling modifies the milk protein profile, causing a minor reduction in milk allergenicity. © 2017 Society of Chemical Industry
Submarine groundwater discharge drives biogeochemistry in two Hawaiian reefs
Authors: Richardson Christina M. , Dulai Henrietta , Popp Brian N. , Ruttenberg Kathleen , Fackrell Joseph K.
Published: October 2017

Groundwater inputs are typically overlooked as drivers of environmental change in coastal reef studies. To assess the impact of groundwater discharge on reef biogeochemistry, we examined two fringing reef environments, located in Maunalua Bay on the south shore of O‘ahu, Hawai‘i, that receive large inputs of submarine groundwater discharge. We supplemented 25‐ and 30‐d time series measurements of salinity, water temperature, pH, dissolved oxygen, and 222Rn with high‐resolution 24‐h nutrient, dissolved inorganic carbon (DIC), total alkalinity (TA), and δ13C–DIC measurements to evaluate both groundwater‐induced and biologically‐driven changes in coastal carbonate chemistry across salinity gradients. Submarine groundwater discharge at these two locations was characterized by low pHT (7.36–7.62), and variable DIC (1734–3046 μM) and TA (1716–2958 μM) content relative to ambient seawater. Groundwater‐driven variability in coastal carbonate system parameters was generally on the same order of magnitude as biologically‐driven variability in carbonate system parameters at our study locations. Further, our data revealed a shift in reef metabolism from net dissolution to net calcification across this groundwater‐driven physicochemical gradient. At sites with high levels of groundwater exposure, net community production and calcification rates were reduced. Our findings shed light on the importance of considering groundwater inputs when examining coastal carbonate chemistry.