bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exhaustive search of the configurational space of heat‐shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking
Authors: Bekker Gert‐Jan , Araki Mitsugu , Oshima Kanji , Okuno Yasushi , Kamiya Narutoshi 
Published: April 2020

AbstractMulticanonical molecular dynamics based dynamic docking was used to exhaustively search the configurational space of an inhibitor binding to the N‐terminal domain of heat‐shock protein 90 (Hsp90). The obtained structures at 300 K cover a wide structural ensemble, with the top two clusters ranked by their free energy coinciding with the native binding site. The representative structure of the most stable cluster reproduced the experimental binding configuration, but an interesting conformational change in Hsp90 could be observed. The combined effects of solvation and ligand binding shift the equilibrium from a preferred loop‐in conformation in the unbound state to an α‐helical one in the bound state for the flexible lid region of Hsp90. Thus, our dynamic docking method is effective at predicting the native binding site while exhaustively sampling a wide configurational space, modulating the protein structure upon binding.
Vein detection with near‐infrared organic photodetectors for biometric authentication
Authors: Tordera Daniel , Peeters Bart , Delvitto Ezequiel , Shanmugam Santhosh , Maas Joris , de Riet Joris , Verbeek Roy , van de Laar Robert , Bel Thijs , Haas Gerard , Ugalde Leslye , van Breemen Albert , Katsouras Ilias , Kronemeijer Auke Jisk , Akkerman Hylke , Meulenkamp Eric , Gelinck Gerwin 
Published: April 2020

AbstractWe combine a low dark current and high‐detectivity near‐infrared (NIR)‐sensitive organic photodetector with a high‐resolution 508 pixels per inch (ppi) oxide thin‐film transistor (TFT) backplane to create a large‐area thin NIR detector, using processes that are compatible with flat‐panel display fabrication. The detector is characterized showing high uniformity and linearity. With the use of a NIR light source, the detector is capable of imaging the (pattern of) veins under the skin in reflection, leading to improved biometric authentication.
Cell populations and muscle fiber morphology associated with acute and chronic muscle degeneration in lumbar spine pathology
Authors: Shahidi Bahar , Gibbons Michael C. , Esparza Mary , Zlomislic Vinko , Allen Richard Todd , Garfin Steven R. , Ward Samuel R. 
Published: April 2020

AbstractMany chronic musculoskeletal conditions are associated with loss of muscle volume and quality, resulting in functional decline. While atrophy has long been implicated as the mechanism of muscle loss in these conditions, recent evidence has emerged demonstrating a degenerative phenotype of muscle loss consisting of disrupted muscle fiber membranes, infiltration of cells into muscle fibers, and as previously describer, possible replacement of muscle fibers by adipose tissue. Here, we use human lumbar spine pathology as a model system to provide a more comprehensive analysis of the morphological features of this mode of muscle loss between early and late stages of disease, including an analysis of the cell populations found in paraspinal muscle biopsies from humans with acute vs chronic lumbar spine pathology. Using longitudinal sections, we show that degeneration of muscle fibers is localized within a fiber (ie, focal), and is characterized by discontinuous or ragged membrane disruption, cellular infiltration, and apparently vacant space containing limited numbers of nuclei and hyper‐contractile cell debris. Samples from patients with acute and chronic pathology demonstrate similar magnitudes of muscle degeneration, however, larger proportions of PDGFRβ‐positive progenitor cells and leukocytes were observed in the acute group, with no differences in myogenic cells, macrophages, or T‐cells. By better understanding the cell population behaviors over the course of disease, therapies can be optimized to address the appropriate targets and timing of administration to minimize the functional consequences of muscle degeneration in lumbar spine pathology.
Expanded normative data for the balance tracking system modified clinical test of sensory integration and balance protocol
Authors: Goble Daniel J. , Brown Elise C. , Marks Charles R. C. , Baweja Harsimran S. 
Published: April 2020

AbstractThe modified Clinical Test of Sensory Integration and Balance (mCTSIB) is a popular protocol used to assess key sources of sensory feedback utilized during upright standing. The present study aimed to expand the age range of a previous normative sample of only young adult mCTSIB reference data collected using the Balance Tracking System (BTrackS). In total, 1,276 adults between ages 20 and 59 years old completed the BTrackS mCTSIB protocol in this study. The protocol consisted of four, 20‐s trials that systematically manipulated the relative contributions of vision, proprioception and vestibular sensory systems. Total Center of Pressure Path Length results showed that females generally outperformed males in all age groups and sensory conditions. Both sexes showed reduced balance with age that started at age 50–59 years in Standard and Proprioception conditions. In the Vestibular condition, both sexes had reduced balance starting at age 30–39 years. In contrast, the pattern of reduction was different between females and males in the Vision condition. In this case, females showed a decline in balance at age 30–39 years compared to 40–49 years in males. These results provide important information demonstrating sensory feedback processing for balance can decline at differential rates based on age and sex characteristics. Percentile ranking look‐up tables were also calculated as a practical tool for researchers and clinicians who regularly perform mCTSIB testing.
An incompatible and unsymmetric four‐node quadrilateral plane element with high numerical performance
Authors: Huang Yingqing , Huan Yakun , Chen Haibo 
Published: April 2020

AbstractRecent studies show that the unsymmetric finite element method exhibits excellent performance when the discretized meshes are severely distorted. In this article, a new unsymmetric 4‐noded quadrilateral plane element is presented using both incompatible test functions and trial functions. Five internal nodes, one at the elemental central and four at the middle sides, are added to ensure the quadratic completeness of the elemental displacement field. Thereafter, the total nine nodes are applied to form the shape functions of trial function, and the Lagrange interpolation functions are adopted as the incompatible test shape functions of the internal nodes. The incompatible test displacements are then revised to satisfy the patch test. Numerical tests show that the present element can provide very good numerical accuracy with badly distorted meshes. Unlike the existing unsymmetric four‐node plane elements in which the analytical stress fields are employed, the present element can be extended to boundary value problems of any differential equations with no difficulties.
Spatiotemporal variation characteristics and source identification of water pollutants in Shayinghe River basin
Authors: Zhang Yan , Dou Ming , Li Ping , Liang Zhijie , Wang Cai , Dai Pengcheng 
Published: April 2020

AbstractTo understand the spatiotemporal variation characteristics and the sources of water pollutants in the Shayinghe River Basin, water quality monitoring data of the five water quality indexes (biochemical oxygen demand: BOD5, permanganate index: CODMn, ammonium nitrogen: NH3–N, total phosphorus: TP and dissolved oxygen: DO) were collected from 11 monitoring stations and divided into 6 categories (classes I, II, III, IV, V and inferior class V). The spatiotemporal distribution characteristics of the water pollutants were comprehensively identified by the water pollution index method (WPI), Mann‐Kendall trend test, cluster analysis and box‐plot analysis method, and the effects of the pollution source, runoff and sluice regulation were analyzed for water pollutants. The results indicated that the water quality standard of classes mainly belonged to class IV or above in Shayinghe River Basin, accounting for about 70%, but the water quality standard reached class I and class II for less than 15%. The water pollutants presented a significant decreasing trend, and the NH3‐N and TP were the key control indexes for the monitoring stations in the Shayinghe River Basin. The exceeding rates of WPI values showed a significantly decreasing trend at Baidukou, Mawan, Huangqiao, Zhoukou Sluice, Jieshou, Fuyang Sluice and Yingshang Sluice by controlling the NH3‐N and TP. The WPI values showed obvious variations in January 2011, March 2013 and October 2014 at the Baisha Reservoir, Mawan and Chengwan. The WPI values were divided into two major categories with respect to time. The non‐flood season should be used as the key period for water quality management and control; the variability of WPI values was relatively large from January to June, November, and December, and the variability of WPI values was relatively low from July to October. The monitoring sections were spatially divided into three major categories. The WPI values had the greatest variability at Huangqiao and a relatively small variability at Baisha Reservoir, Mawan and Chengwan. The study results could provide the scientific basis for realizing targeted pollution source treatment, improving the effectiveness of water quality management and ecological environment, and a theoretical foundation for pollution control and water quality improvement in the Shayinghe River Basin.
Temperature‐responsive Solid Acid Catalyst for Cellulose Hydrolysis to HMF
Authors: Wang Yong , Zhang Yuan , Li Chunxiao , Wang Ming , Cui Hongyou , Yi Weiming , Song Feng , Sun Xiuyu , Fu Qiang 
Published: April 2020

AbstractConversion of cellulose to the platform chemical, 5‐hydroxymethylfurfural (HMF), is of importance to the manufacture of a variety of bio‐chemicals and biofuels. However, low mass and heat transfer between a solid catalyst and the cellulose particles severely hampers the efficiency of cellulose conversion. In effort to conquer the obstacle, a series of N‐doped mesoporous carbon materials (MCNs) were prepared and employed to catalyze cellulose to HMF by use of the temperature‐responsive HCl‐releasing effect of MCNs. In this way, acid‐base dual catalytic environments can be constructed for efficient conversion of cellulose to HMF. MCN‐2‐DH⋅nHCl is capable of adsorbing chemically 1.07 mmol HCl/g at room temperature and releasing about 1.01 mmol HCl/g when being heated to 220 °C. It is found that MCN‐2‐DH⋅nHCl is an excellent catalyst for cellulose conversion, yielding 52.6% HMF, 27.6% reducing sugars and 4.1% levulinic acid with a cellulose conversion of 96.4% after reacting at 220 °C for 80 min. A total carbon yield of 84.3% can be achieved. Moreover, four times of recycling tests demonstrate that MCN‐2‐DH⋅nHCl possesses good temperature‐responsive stability in aqueous solution.
Solar Induced Photocatalytic Degradation of Methylene Blue by CdS/Ag2O Nanocomposites
Authors: Sophia P. Joice , Balaji D. , James Caleb Peters T. , Chander D. Sathish , Vishwath Rishaban S. , Vijaya Shanthi P. , Nagavenkatesh K. R. , Kumar M. Rajesh 
Published: April 2020

AbstractPresent investigation reports the synthesis of stable as well as visible‐light active CdS/Ag2O nanocomposite photocatalysts in three varied ratios to be engaged in degradation of methylene blue (MB) dye. As‐synthesized photocatalysts have been characterized with the aid of diverse characterization techniques such as X‐ray diffraction (XRD), FT‐Raman, Fourier transform infrared spectroscopy (FT‐IR), X‐ray photoelectron spectroscopy (XPS), UV‐visible and Photoluminescence (PL) spectroscopy, and transmission electron microscopy (TEM). XRD pattern clearly depicts the presence of hexagonal CdS phase and cubic Ag2O phase. Results show a remarkable enhancement of photocatalytic activity for MB degradation especially for CdS/Ag2O nanocomposite with maximum efficiency up to 88.8 %. Moreover, the effective bandgap of CdS/Ag2O (1 : 2) nanocomposite has been significantly reduced to 1.71 eV from pure CdS (2.15 eV). It can be derived that CdS/Ag2O photocatalysis may be envisaged for treatment of diluted waste water containing organic pollutants.
Metal‐organic Framework of [Cu2(BIPA‐TC)(DMA)2]n: A Promising Anode Material for Lithium‐Ion Battery
Authors: Luo Yulin , Wu Mengke , Pang Baocheng , Ge Jiawen , Li Rui , Zhang Pan , Zhou Mingjiong , Han Lei , Okada Shigeto 
Published: April 2020

AbstractA copper‐based redox‐active metal‐organic framework (Cu–MOF) is solvothermally synthesized from Cu(NO3)2 with the ligand 5,5‐(1,3,6,8‐tetraoxobenzo[Imn][3,8]phenanthroline‐2‐7diyl)‐bis‐1,3‐benzenedicarboxylic acid. The as‐prepared Cu–MOF is characterized by X‐ray diffraction, automatic sphere surface analyzer, field emission scanning electron microscopy, and X‐ray photoelectron spectroscopy. The electrochemical properties of Cu–MOF as an anode are investigated for lithium‐ion batteries. The Cu–MOF exhibits superior performance including high reversible capacity and excellent cyclic stability. The Cu–MOF shows high initial charge capacity of 753.7 mAh g−1, and still remains approximately 53% of its capacity after 500 cycles. In addition, it is revealed that the oxidation/reduction of copper ion in Cu–MOF occurred during charge and discharge process.
Synthesis and Herbicidal Activity of Trifluoromethyl‐Substituted Phenyl Alkyl Ketoxime Esters of Bispyribac
Authors: Cai Xinhong , Hu Hang , Gong Shunze , Xu Xiangjian , Wang Bin , Zhou Huan , Xu Defeng 
Published: April 2020

AbstractA series of new trifluoromethyl‐substituted phenyl alkyl ketoxime esters of Bispyribac were synthesized as potential herbicides. All synthesized compounds were characterized by nuclear magnetic resonance (NMR) spectroscopy and high‐resolution mass spectrometry (HRMS). Sprout method and foliar spray method were used to study the herbicidal activity of the synthesized compounds. Among all synthesized compounds, compound 3 (4‐trifluoromethylphenyl n‐butyl ketoxime ester of Bispyribac) exhibits the highest herbicidal activity against Echinochloa crusgalli (L.) Beauv with median effect dose (ED50) of 1.7 μg/mL in pre‐emergence herbicidal activity study. The structure‐activity relationship analysis indicates that trifluoromethyl substitution on the phenyl group exhibits better activity than methoxy and methyl substitution on the phenyl group. The alkyl chain length also affects the activity significantly and the optimal alkyl chain length is four among the tested compounds. However, the substitution position of trifluoromethyl exhibits very limited influence on the activity. In post‐emergence herbicidal activity study, compound 3 (ED90 69.1056 g/hm2) exhibits better herbicidal activity against Echinochloa crusgalli (L.) Beauv than Pyribenzoxim (ED90 99.0810 g/hm2). Moreover, compound 3 exhibits better safety to hybrid rice variety II you 084 and rice variety Nanjing 44 than Pyribenzoxim in crop safety study. Compound 3 may serve as a lead compound for future herbicide discovery.
Exposure of White-throated Dippers to heavy metals in acidified and non-acidified streams in Norway
Authors: Pedersen Hans Christian , Nybø Signe , Sandercock Brett K. 
Published: April 2020

AbstractWe examined the exposure of White-throated Dippers (Cinclus cinclus) to aluminum and mercury in acidified and non-acidified streams in two regions of Norway. Both metals showed significantly higher concentrations in the body tissues of dippers in acidified streams at southern sites compared to non-acidified streams in central Norway. Elevated concentrations of aluminum in acidified areas could not be explained by a corresponding elevated level of aluminum in the invertebrate foods of dippers. During our study period in 1993–1995, deposition rates of mercury by long-range air pollution were higher in southern than central Norway. High levels of mercury in dippers could have been due to higher levels of atmospheric deposition or higher water acidity in southern Norway. We found a high correlation between mercury levels in body tissues of females and their eggs, but not for aluminum. Thus, eggs are suitable for monitoring mercury levels but not for aluminum in female dippers. Our data provide baseline estimates of exposure to heavy metals in freshwater ecosystems in Norway that will be useful for monitoring future trends.
Influence of activator type on reaction kinetics, setting time, and compressive strength of alkali-activated mineral wools
Authors: Yliniemi J. , Walkley B. , Provis J. L. , Kinnunen P. , Illikainen M. 
Published: April 2020

AbstractAlkali activation is a promising utilisation route for mineral wool wastes, due to suitable chemical composition, high reactivity, and surface area. One key factor in the development of alkali-activated binders is the selection of the suitable alkali activator. Here, the effect of sodium hydroxide, sodium silicate, sodium aluminate, and sodium carbonate solution on the alkali-activation kinetics of two main types of mineral wools, stone wool and glass wool, is investigated. Setting time and compressive strength development results are presented, which are explained and discussed in the context of isothermal calorimeter data obtained at temperature of 40 °C. Sodium hydroxide and sodium silicate solutions provided fast reaction with both mineral wools, evidenced by high heat release, high early strength, and fast setting. The reaction with sodium aluminate solution took several days to initiate, but it produced high compressive strength after 28 days of curing with both mineral wools. Glass wool reacted and hardened rapidly with sodium carbonate solution, but stone wool reacted slowly with sodium carbonate and exhibited a low extent of reaction, likely due to lower extent of reaction of stone wool under less alkaline conditions. These results show that mineral wool alkali activation kinetics and binder gel formation are controlled by the activator type and highlight the importance of choosing the most appropriate activator for each desired application.
Bioinspired reorientation strategies for application in micro/nanorobotic control
Authors: Ghanbari Ali 
Published: April 2020

AbstractEngineers have recently been inspired by swimming methodologies of microorganisms in creating micro-/nanorobots for biomedical applications. Future medicine may be revolutionized by the application of these small machines in diagnosing, monitoring, and treating diseases. Studies over the past decade have often concentrated on propulsion generation. However, there are many other challenges to address before the practical use of robots at the micro-/nanoscale. The control and reorientation ability of such robots remain as some of these challenges. This paper reviews the strategies of swimming microorganisms for reorientation, including tumbling, reverse and flick, direction control of helical-path swimmers, by speed modulation, using complex flagella, and the help of mastigonemes. Then, inspired by direction change in microorganisms, methods for orientation control for microrobots and possible directions for future studies are discussed. Further, the effects of solid boundaries on the swimming trajectories of microorganisms and microrobots are examined. In addition to propulsion systems for artificial microswimmers, swimming microorganisms are promising sources of control methodologies at the micro-/nanoscale.
Quantification/mechanism of interfacial interaction modulated by electric potential in aqueous salt solution
Authors: Li Shaowei , Bai Pengpeng , Li Yuanzhe , Pesika Noshir S. , Meng Yonggang , Ma Liran , Tian Yu 
Published: April 2020

AbstractWith the development of surface and interface science and technology, methods for the online modulation of interfacial performance by external stimuli are in high demand. Switching between ultra-low and high friction states is a particular goal owing to its applicability to the development of precision machines and nano/micro-electromechanical systems. In this study, reversible switching between superlubricity and high friction is realized by controlling the electric potential of a gold surface in aqueous salt solution sliding against a SiO2 microsphere. Applying positive potential results creates an ice-like water layer with high hydrogen bonding and adhesion at the interface, leading to nonlinear high friction. However, applying negative potential results in free water on the gold surface and negligible adhesion at the interface, causing linear ultra-low friction (friction coefficient of about 0.004, superlubricity state). A quantitative description of how the external load and interfacial adhesion affected friction force was developed, which agrees well with the experimental results. Thus, this work quantitatively reveals the mechanism of potential-controlled switching between superlubricity and high-friction states. Controlling the interfacial behavior via the electric potential could inspire novel design strategies for nano/micro-electromechanical and nano/micro-fluidic systems.
The European Convention of Human Rights and Migration at Sea: Reading the “Jurisdictional Threshold” of the Convention Under the Law of the Sea Paradigm
Authors: Papastavridis Efthymios 
Published: April 2020

AbstractIn all the applications before the ECtHR concerning migration at sea, a preliminary, yet seminal, question is whether the applicants were within the jurisdiction of the respondent State, in terms of Article 1 of the European Convention on Human Rights (ECHR). This question becomes even more apposite in contemporary situations of remote interception or search and rescue operations. In addressing the matter of jurisdiction in such cases, the law of the sea becomes of significant importance. This Article argues that as the International Tribunal of the Law of the Sea (ITLOS) has often taken into account human rights considerations, similarly, the European Court of Human Rights should read into the term “jurisdiction” under Article 1 of ECHR law of the sea considerations. Far from resurrecting Banković and the strict “general international law” notion of jurisdiction under ECHR, this Article only intends to shed some light on when a State would be considered as exercising such “authority and control over persons” in the maritime domain. In so doing, this Article will focus only on the potential application of the ECHR to the most common practices of States vis-à-vis migration on the high seas, namely interception and rescue operations.