bluuebunny/crossref_metadata_2025 huggingface dataset:
FT-IR- and Raman-based biochemical profiling of the early stage of pulmonary metastasis of breast cancer in mice
Authors: Chrabaszcz Karolina , Kochan Kamila , Fedorowicz Andrzej , Jasztal Agnieszka , Buczek Elzbieta , Leslie Lisa S. , Bhargava Rohit , Malek Kamilla , Chlopicki Stefan , Marzec Katarzyna M.
Published: March 2018

The combination of FT-IR and Raman spectroscopies allowed the biochemical profiling of lungs and definition of the spectroscopic biomarkers of the early stage of pulmonary metastasis of breast cancer.
Protein cross-linking capillary electrophoresis at increased throughput for a range of protein–protein interactions
Authors: Ouimet Claire M. , Dawod Mohamed , Grinias James , Assimon Victoria A. , Lodge Jean , Mapp Anna K. , Gestwicki Jason E. , Kennedy Robert T.
Published: March 2018

Here protein cross-linking capillary electrophoresis is demonstrated for a wide range of protein–protein interactions including weak and multimeric oligomers.
Thermodynamic and kinetic hydricities of metal-free hydrides
Authors: Ilic Stefan , Alherz Abdulaziz , Musgrave Charles B. , Glusac Ksenija D.
Published: March 2018

Thermodynamic and kinetic hydricities provide useful guidelines for the design of hydride donors with desirable properties for catalytic chemical reductions.
Imaging the chemical activity of single nanoparticles with optical microscopy
Authors: Wang Wei
Published: March 2018

Chemical activity of single nanoparticles can be imaged and determined by monitoring the optical signal of each individual during chemical reactions with advanced optical microscopes. It allows for clarifying the functional heterogeneity among individuals, and for uncovering the microscopic reaction mechanisms and kinetics that could otherwise be averaged out in ensemble measurements.
Novel Cu2+-specific “Turn-ON” fluorescent probe based on [5]helicene with very large Stokes shift and its potential application in living cells
Authors: Kaewnok Nirawit , Petdum Anuwut , Sirirak Jitnapa , Charoenpanich Adisri , Panchan Waraporn , Sahasithiwat Somboon , Sooksimuang Thanasat , Wanichacheva Nantanit
Published: March 2018

The sensor provides Cu2+-sensitive with low detection limit and very large Stokes shift, and can induce the emission in the HepG2 cellular system.
Ternary hybrids as efficient bifunctional electrocatalysts derived from bimetallic metal–organic-frameworks for overall water splitting
Authors: Li Xiao , Wang Xinlong , Zhou Jie , Han Lu , Sun Chunyi , Wang Qingqing , Su Zhongmin
Published: March 2018

Two bifunctional electrocatalysts (termed Co2P/Mo2C/Mo3Co3C@C and Ni/Ni2P/Mo2C@C) were synthesized derived from two bimetallic MOFs with superior HER performance in acidic media and favorable HER and OER activity under alkaline conditions.
Ordered mesoporous carbon supported Ni3V2O8 composites for lithium-ion batteries with long-term and high-rate performance
Authors: Lu Shiyao , Zhu Tianxiang , Li Zhaoyang , Pang Yuanchao , Shi Lei , Ding Shujiang , Gao Guoxin
Published: March 2018

Ultrafine Ni3V2O8@CMK-3 nanocomposites with long-term and high-rate lithium storage capability have been developed.
Catalytic nickel and nickel–copper alloy hollow-fiber membranes for the remediation of organic pollutants by electrocatalysis
Authors: Allioux Francois-Marie , David Oana , Merenda Andrea , Maina James W. , Benavides Miren Etxeberria , Tanaka Alfredo Pacheco , Dumée Ludovic F.
Published: March 2018

Electrocatalytic membrane reactors are becoming a viable solution for the treatment of wastewater contaminated with persistent organic pollutants and compounds.
Enhanced oxygen storage capacity of cation-ordered cerium–zirconium oxide induced by titanium substitution
Authors: Goto Yoshihiro , Morikawa Akira , Iwasaki Masaoki , Miura Masahide , Tanabe Toshitaka
Published: March 2018

Cation-ordered Ce0.5Zr0.4Ti0.1O2 with a high oxygen storage capacity (1310 μmol-O per g at 200 °C) was synthesized via a solution combustion method.
Simple synthesis of novel copper metal–organic framework nanoparticles: biosensing and biological applications
Authors: Sheta Sheta M. , El-Sheikh Said M. , Abd-Elzaher Mohkles M.
Published: March 2018

Novel Cu-MOF-NPs (C1) were successfully synthesized and used as biosensors for T3 hormone and showed high antibacterial activity against various pathogens.
Engineering design toward exploring the functional group substitution in 1D channels of Zn–organic frameworks upon nitro explosives and antibiotics detection
Authors: Zhou Zhan , Han Min-Le , Fu Hong-Ru , Ma Lu-Fang , Luo Feng , Li Dong-Sheng
Published: March 2018

Three MOFs (1, 2, 3) with distinct functional groups were prepared. 2 exhibited moderate sensitivity for the detection of specific explosives/antibiotics at the same concentration, which was lower and higher than that of 3 and 1, respectively.
Single-particle measurements of electrochemical kinetics in NMC and NCA cathodes for Li-ion batteries
Authors: Tsai Ping-Chun , Wen Bohua , Wolfman Mark , Choe Min-Ju , Pan Menghsuan Sam , Su Liang , Thornton Katsuyo , Cabana Jordi , Chiang Yet-Ming
Published: March 2018

Electrochemical kinetics of Li-ion battery cathodes are measured at single-particle level and combined with transmission X-ray microscopy to elucidate behavior during use.
Boosting the solar water oxidation performance of a BiVO4 photoanode by crystallographic orientation control
Authors: Han Hyun Soo , Shin Sun , Kim Dong Hoe , Park Ik Jae , Kim Ju Seong , Huang Po-Shun , Lee Jung-Kun , Cho In Sun , Zheng Xiaolin
Published: March 2018

A BiVO4 with a preferred [001] orientation and exposed {001} facets were grown epitaxially on FTO via a laser ablation, achieving the state-of-the-art photoelectrochemical performance for solar water-oxidation.
Unraveling the mechanisms of room-temperature catalytic degradation of indoor formaldehyde and its biocompatibility on colloidal TiO2-supported MnOx–CeO2
Authors: Li Haiwei , Huang Tingting , Lu Yanfeng , Cui Long , Wang Zhenyu , Zhang Chaofeng , Lee Shuncheng , Huang Yu , Cao Junji , Ho Wingkei
Published: March 2018

A new insight into the room-temperature catalytic degradation of indoor formaldehyde and its practical implications over TiO2-supported MnOx–CeO2 were investigated.
Template-free H-dimer and H-aggregate formation by dimeric carbocyanine dyes
Authors: Patlolla Prathap Reddy , Das Mahapatra Amarjyoti , Mallajosyula Sairam S. , Datta Bhaskar
Published: March 2018

Dimeric cyanine dyes self-assemble into H-dimers and H-aggregates, which experience de-aggregation with specific biomolecules.
Fabrication of polymer capsules by an original multifunctional, active, amphiphilic macromolecule, and its application in preparing PCM microcapsules
Authors: Liu Jin , Fan Xinlong , Xue Ying , Liu Yibin , Song Lixun , Wang Rumin , Zhang Hepeng , Zhang Qiuyu
Published: March 2018

Based on our recent discovery that D-PGMA solution showed excellent amphiphilic and reinitiation properties, an eco-friendly, facile and scalable method to prepare polymeric capsules was proposed.
C5-Morpholinomethylation of N1-sulfonylcytosines by a one-pot microwave assisted Mannich reaction
Authors: Matić Josipa , Nekola Irena , Višnjevac Aleksandar , Kobetić Renata , Martin-Kleiner Irena , Kralj Marijeta , Žinić Biserka
Published: March 2018

A fast and efficient route for the introduction of a morpholinomethyl moiety in the C5 position of the sulfonylated cytosine nucleobase has been developed.
Synthesis and plugging behavior of fluorescent polymer microspheres as a kind of conformance control agent in reservoirs
Authors: Yang Hongbin , Hu Leilei , Chen Chao , Gao Yongbo , Tang Xuechen , Yin Xia , Kang Wanli
Published: March 2018

Three plugging behavior such as piston plugging, protruding plugging and fingering plugging were put forward.
High-capacity cathodes for magnesium lithium chlorine tri-ion batteries through chloride intercalation in layered MoS2: a computational study
Authors: Wang Zhuo , Shao Guosheng
Published: March 2018

Rechargeable magnesium ion batteries (MIBs) have great potential as an alternative technology to substitute resource-limited lithium-ion batteries (LIBs), but rather difficult transportation of Mg2+ in cathodes and hence low cathode capacities loom as a major roadblock for their applications.
Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations
Authors: Altintas Cigdem , Avci Gokay , Daglar Hilal , Gulcay-Ozcan Ezgi , Erucar Ilknur , Keskin Seda
Published: March 2018

Computational screening of the MOF membranes for selective separation of hydrogen from methane was performed in this work.
SINBADLinQ: SINR based distributed link scheduling for device‐to‐device networks
Authors: Choi Y.J. , Kil Y.S. , Kim S.‐H. , Chang S.‐H.
Published: March 2018

A new autonomous distributed link scheduling scheme, SINBADLinQ, for device‐to‐device networks is proposed. SINBADLinQ operates with a modified signal‐to‐inference‐plus‐noise ratio. The new link scheduling scheme outperforms recently proposed ITLinQ and ITLinQ+ with or without global scheduling information sharing.
Probabilistic production simulation of a wind/photovoltaic/energy storage hybrid power system based on sequence operation theory
Authors: Bai Xue , Wu Hongbin , Yang Shihai , Li Zhixin
Published: March 2018

Probabilistic production simulation is an important tool used in conventional power systems to calculate generated energy and evaluate reliability. With the continuous expansion of the renewable energy plants, new characteristics such as intermittency and volatility of power are widely discussed, and it is necessary to study the application of probabilistic production simulation for renewable energy power generation. This study proposes a probabilistic production simulation method based on sequence operation theory (SOT) to simulate the operation of a wind/photovoltaic/energy storage power system. Both the uncertainty of renewable resources and the outage of wind turbines are considered in this study. Considering the complementary property of the renewable energy, pattern clustering is used to analyse the meteorological conditions and to assist in the probabilistic production simulation. Moreover, the output model of the energy storage device is developed using the Monte Carlo method and controlled using a smoothing strategy of the energy storage device. Ultimately, the simulation example shows the feasibility and the higher efficiency of the algorithm compared with Monte Carlo method and a production simulation method based on equivalent energy function.
Automatic benign and malignant classification of pulmonary nodules in thoracic computed tomography based on RF algorithm
Authors: Li Xiang‐Xia , Li Bin , Tian Lian‐Fang , Zhang Li
Published: March 2018

Classification of benign and malignant pulmonary nodules can provide useful indicators for estimating the risk of lung cancer. In this study, an improved random forest (RF) algorithm is proposed for classification of benign and malignant pulmonary nodules in thoracic computed tomography images. First, an improved random walk algorithm is proposed to automatically segment pulmonary nodules. Then, intensity, geometric and texture features based on the grey‐level co‐occurrence matrix, rotation invariant uniform local binary pattern and Gabor filter methods are combined to generate an effective and discriminative feature vector. Mutual information is employed to reduce the dimensionality. Finally, an improved RF classifier is trained to classify benign and malignant nodules. An appropriate feature subset is selected by the bootstrap method and an effective combination method is introduced to predict a class label. The proposed classification method on the lung images dataset consortium dataset achieves a sensitivity of 0.92 and the area under the receiver‐operating‐characteristic curve of 0.95. An additional evaluation is performed on another dataset coming from General Hospital of Guangzhou Military Command. A mean sensitivity and a mean specificity of the proposed method are 0.85 and 0.82, respectively. Experimental results demonstrate that the proposed method achieves the satisfactory classification performance.
Hot spot method for pedestrian detection using saliency maps, discrete Chebyshev moments and support vector machine
Authors: Lahouli Ichraf , Karakasis Evangelos , Haelterman Robby , Chtourou Zied , De Cubber Geert , Gasteratos Antonios , Attia Rabah
Published: March 2018

The increasing risks of border intrusions or attacks on sensitive facilities and the growing availability of surveillance cameras lead to extensive research efforts for robust detection of pedestrians using images. However, the surveillance of borders or sensitive facilities poses many challenges including the need to set up many cameras to cover the whole area of interest, the high bandwidth requirements for data streaming and the high‐processing requirements. Driven by day and night capabilities of the thermal sensors and the distinguished thermal signature of humans, the authors propose a novel and robust method for the detection of pedestrians using thermal images. The method is composed of three steps: a detection which is based on a saliency map in conjunction with a contrast‐enhancement technique, a shape description based on discrete Chebyshev moments and a classification step using a support vector machine classifier. The performance of the method is tested using two different thermal datasets and is compared with the conventional maximally stable extremal regions detector. The obtained results prove the robustness and the superiority of the proposed framework in terms of true and false positives rates and computational costs which make it suitable for low‐performance processing platforms and real‐time applications.
Significant wave height extraction using a low‐frequency HFSWR system under low sea state
Authors: Li Xiaodong , Yu Changjun , Su Fulin , Quan Taifan , Chu Xiaoliang , Wang Shuyao
Published: March 2018

High‐frequency surface wave radar (HFSWR) systems are usually located on the coast and measure electromagnetic backscatter from the sea in the 3–30 MHz band. Based on the theory of ground wave propagation, the detection distance of a low‐frequency HFSWR system could be longer that of a high‐frequency one. Therefore, a low‐frequency HFSWR system is more suitable to extract the significant wave height at a distance. The Barrick's algorithm‐based significant wave height extraction method is widely used, and the accuracy of the method has been validated by a large number of experiments. However, it is important to note that under the low sea state, the wave conditions of the data recorded by a low‐frequency HFSWR system may not satisfy the wave height condition required in Barrick's algorithm. Hence, the algorithm may produce unreliable results. To address this issue, a method based on Barrick's algorithm, a new non‐linear model, and the radial basis function neural network is proposed. Simulations on real‐world data collected on the coast of the Tianjin from 1 May 2015 to 25 May 2015 support the method developed.
Reversible lossless manipulation of water droplets with large‐range volume
Authors: Huang Liu , Wang Xuyue , Zhao Changlin , Liu Jiyu , Liu Ziai , Sun Yankui , Liu Xin , Song Jinlong
Published: March 2018

The lossless manipulation of microdroplets has great promising applications in the fields of such as liquids transportation. In recent years, superhydrophobic surfaces with low adhesion have been utilised as an effective solid surface to realise the lossless transfer of liquids. However, the present methods using superhydrophobic surfaces are hard to realise the reversible lossless manipulation of water droplets with a large‐range volume. Here, a special transfer pipette composed of a superhydrophobic hole and an optimised pressure‐generation device is developed to realise the lossless manipulation of water droplets. The superhydrophobic surfaces are obtained by electrochemical etching, boiling‐water immersion and stearic acid modification, showing an excellent superhydrophobicity with a water contact angle of ∼165° and roll‐off angle of ∼2°. The capture and release of water droplets are realised via controlling the resultant force of the vertical component of capillary force and gravity of droplets. The applied pressure is far less than the threshold pressure which guaranties the lossless property in the manipulation processes. The operable limiting volume of water droplets even reaches to 1404 µL, showing a large‐range operable volume. Moreover, the strategy can easily realise the reversible and repeatable manipulation showing potential applications in the biological and microfluidic fields.
Abklärung von Suizidalität – So helfen Sie gefährdeten Patienten
Authors: Flüchter Peter
Published: March 2018

Suicidality is a complex process with social, individual and medical aspects. Almost every doctor – regardless of discipline – must at some point treat and care for people in suicidal crises. It is important then, to assess the situation correctly and to recognize an acute suicidal risk. Below you will read what to look for and how you can help the patient the best in that difficult situation.
Update on Transumbilical Single-Incision Laparoscopic Assisted Appendectomy (TULAA) – Which Children Benefit and What are the Complications?
Authors: Dübbers Martin , Nikolaou Elena , Fuchs Hans , Fischer Janina , Alakus Hakan , Leers Jessica , Bruns Christiane , Cernaianu Grigore
Published: March 2018

Background Transumbilical laparoscopic-assisted appendectomy (TULAA) is fast and cost-effective since no endoloops, staplers or wound protection devices are used. We analyzed the effects of TULAA as first approach for perforated (PA) and non-perforated (NPA) appendicitis in children.

Patients We performed a retrospective analysis of 181 children for whom TULAA was the first approach for appendicitis between October 2010 and March 2016.

Methods Morbidity, additional laparoscopic instrument insertion (AI), conversions to open extraumbilical appendectomy (OC), and complications were evaluated.

Results TULAA was initiated in 181 (87.4%) children (113 boys: 68 girls). Median age was 10.3 years (3.3–13.9 years) and BMI 16.8 kg/m2 (12.4–30.8). Appendicitis was non-perforated in 157 (86.7%) and perforated in 24 (13.3%) patients. TULAA was finalized in 142 (78.5%) patients, AI were inserted in 20 (11%) and OC were performed in 19 (10.5%) patients. Duration of surgery did not exceed 20 min for 12.8%, and 30 min for 43.6% of patients with TULAA and NPA. The rate of wound infections did not differ between procedures (TULAA 3/142 (2.1%), AI 0 (0%), OC 1/19 (5.3%), P=1.000). Further postoperative course was uneventful in 179 (98.9%) patients.

Conclusion TULAA can be used as first approach for appendicitis in all children with a low rate of complications. Extracorporeal appendix stump closure can be safely achieved in the majority of children without using laparoscopic disposable devices.
Nanoscale quantum gyroscope using a single 13C nuclear spin coupled with a nearby NV center in diamond
Authors: Song Xuerui , Wang Liujun , Feng Fupan , Lou Liren , Diao Wenting , Duan Chongdi
Published: March 2018

Developing gyroscopes based on quantum systems are important for inertial sensing applications, and its underlying physics is of fundamental interest. In this paper, we proposed a new type of gyroscope based on the Berry phase generated during rotation of the quantum system by using a single 13C nuclear spin coupled with a nearby nitrogen-vacancy center in diamond. Due to the atom-scale size of the quantum system, rotation information can be obtained with high spatial resolution. The gyroscope can be manipulated at room temperature and without the need for a strong magnetic field, which is also beneficial to its further applications.
Full path compensation laser feedback interferometry for remote sensing with recovered nanometer resolutions
Authors: Xu Ling , Tan Yidong , Zhang Shulian
Published: March 2018

The accuracy of the existing laser feedback interferometry for measuring the remote target is limited to several microns due to environmental disturbances. A novel approach is presented in this paper based on the double-beam frequency-shift feedback of the laser, which can completely eliminate the dead path errors and measure the displacement or vibration with accuracy at nanometer scale even at a far measurement distance. The two beams emitted from one Nd:YVO4 crystal are incident on the measurement target and its adjacent reference surface, respectively. The reference surface could be taken from the nearby stationary object, without the need to put a reference mirror. The feedback paths and shift frequencies of the two beams are the same, so the air disturbances and the thermal effects in the way could be fully compensated. Under common room conditions, the displacement of a steel block at a distance of 10 m is measured, which proved that the system’s stability is ±12 nm in 100 s and ±50 nm in 1000 s, the short-term resolution is better than 3 nm, and the linearity within the 300 mm range is 5 × 10−6 and within the 100 μm range is 1 × 10−4.
Gaussian process regression to accelerate geometry optimizations relying on numerical differentiation
Authors: Schmitz Gunnar , Christiansen Ove
Published: March 2018

We study how with means of Gaussian Process Regression (GPR) geometry optimizations, which rely on numerical gradients, can be accelerated. The GPR interpolates a local potential energy surface on which the structure is optimized. It is found to be efficient to combine results on a low computational level (HF or MP2) with the GPR-calculated gradient of the difference between the low level method and the target method, which is a variant of explicitly correlated Coupled Cluster Singles and Doubles with perturbative Triples correction CCSD(F12*)(T) in this study. Overall convergence is achieved if both the potential and the geometry are converged. Compared to numerical gradient-based algorithms, the number of required single point calculations is reduced. Although introducing an error due to the interpolation, the optimized structures are sufficiently close to the minimum of the target level of theory meaning that the reference and predicted minimum only vary energetically in the μEh regime.
A non-oscillatory energy-splitting method for the computation of compressible multi-fluid flows
Authors: Lei Xin , Li Jiequan
Published: March 2018

This paper proposes a new non-oscillatory energy-splitting conservative algorithm for computing multi-fluid flows in the Eulerian framework. In comparison with existing multi-fluid algorithms in the literature, it is shown that the mass fraction model with isobaric hypothesis is a plausible choice for designing numerical methods for multi-fluid flows. Then we construct a conservative Godunov-based scheme with the high order accurate extension by using the generalized Riemann problem solver, through the detailed analysis of kinetic energy exchange when fluids are mixed under the hypothesis of isobaric equilibrium. Numerical experiments are carried out for the shock-interface interaction and shock-bubble interaction problems, which display the excellent performance of this type of schemes and demonstrate that nonphysical oscillations are suppressed around material interfaces substantially.
Effects of stress on neighboring laser written waveguides in gallium lanthanum sulfide
Authors: Diener Romina , Nolte Stefan , Pertsch Thomas , Minardi Stefano
Published: March 2018

We investigate an observed lack of excitation symmetry of discrete diffraction patterns in periodic arrays of waveguides written by ultrafast laser inscription (ULI) in gallium lanthanum sulfide glasses. We found experimentally that successive waveguides written with identical parameters are detuned from the previous one by Δβ ∼ 0.2–0.5 mm−1. We show that by varying the writing speed of successive waveguides, we increase the symmetry of the array and reduce the detuning by a factor of 2. After careful analysis of possible physical causes, observations suggest that the density of the laser irradiated material is affected by long range stresses induced by ULI.
Metadynamics for training neural network model chemistries: A competitive assessment
Authors: Herr John E. , Yao Kun , McIntyre Ryker , Toth David W. , Parkhill John
Published: March 2018

Neural network model chemistries (NNMCs) promise to facilitate the accurate exploration of chemical space and simulation of large reactive systems. One important path to improving these models is to add layers of physical detail, especially long-range forces. At short range, however, these models are data driven and data limited. Little is systematically known about how data should be sampled, and “test data” chosen randomly from some sampling techniques can provide poor information about generality. If the sampling method is narrow, “test error” can appear encouragingly tiny while the model fails catastrophically elsewhere. In this manuscript, we competitively evaluate two common sampling methods: molecular dynamics (MD), normal-mode sampling, and one uncommon alternative, Metadynamics (MetaMD), for preparing training geometries. We show that MD is an inefficient sampling method in the sense that additional samples do not improve generality. We also show that MetaMD is easily implemented in any NNMC software package with cost that scales linearly with the number of atoms in a sample molecule. MetaMD is a black-box way to ensure samples always reach out to new regions of chemical space, while remaining relevant to chemistry near kbT. It is a cheap tool to address the issue of generalization.
Three-dimensional spatially curved local Bessel beams generated by metasurface
Authors: Liu Dawei , Wu Jiawen , Cheng Bo , Li Hongliang
Published: March 2018

We propose a reflective metasurface based on an artificial admittance modulation surface to generate three-dimensional spatially curved beams. The phase acquisition utilized to modulate this sinusoidally varying surface admittance combines the enveloping theory of differential geometry and the method for producing two-dimensional Bessel beams. The metasurface is fabricated, and the comparison between the full-wave simulations and experimental results demonstrates good performance of three-dimensional spatially curved beams generated by the metasurface.
Imaging Isocyanic Acid Photodissociation at 193 nm: the NH(a1Δ)+CO(X1Σ+) Channel
Authors: Zhang Zhi-guo , Xin Min , Zhao Shu-tao , Chen Yang
Published: March 2018

The photodissociation dynamics of isocyanic acid (HNCO) has been studied by the time-sliced velocity map ion imaging technique at 193 nm. The NH(a1Δ) products were measured via (2+1) resonance enhanced multiphoton ionization. Images have been accumulated for the NH(a1Δ) rotational states in the ground and vibrational excited state (v=0 and 1). The center-of-mass translational energy distribution derived from the NH(a1Δ) images implies that the CO vibrational distributions are inverted for most of the measured 1NH(v|j) internal states. The anisotropic product angular distribution observed indicates a rapid dissociation process for the N−C bond cleavage. A bimodal rotational state distribution of CO(v) has been observed, this result implies that isocyanic acid dissociates in the S1 state in two different pathways.
Comparison of Adsorption of Proteins at Different Sizes on Pristine Graphene and Graphene Oxide
Authors: Yu Zuo-si , Gao Yi-yi , Wang Xiao-gang , Zhou Guo-quan , Zeng Song-wei , Chen Jun-lang
Published: March 2018

Using all-atom molecular dynamics (MD) simulations, we have investigated the adsorption stability and conformation change of different proteins on the surface of pristine graphene (PG) and graphene oxide (GO). We find that: (i) with the cooperation of the electrostatic interactions between proteins and oxygen-containing groups, GO shows better adsorption stability than PG; (ii) the peptide loses its secondary structure on both PG and GO surface, and the α-helix structure of the protein fragment is partially broken on PG surface, but is well preserved on GO surface, while the secondary structure of globular protein has no distinct change on both PG and GO surface. In general, GO presents better biocompatibility than PG. Our results are of significant importance to understand the interactions between proteins and PG/GO and the applications of PG/GO in biotechnology and biomedicine.
Activation of sodium percarbonate with ferrous ions for degradation of chlorobenzene in aqueous solution: mechanism, pathway and comparison with hydrogen peroxide
Authors: Zhang Sai , Hu Xuebin , Li Li , Huangfu Xiaoliu , Xu Yingzhi , Qin Yuhang
Published: March 2018

Environmental contextIt is practicable to remediate chlorobenzene-contaminated groundwater by in situ chemical oxidation. This study shows highly efficient degradation of chlorobenzene by an Fe-based process in a wide range of pH values. The technology is feasible for the removal of chlorobenzene from aqueous solutions and is appropriate for remediation of groundwater.
AbstractSodium percarbonate (SPC) could be applied as a strong oxidant to degrade organic compounds activated by transition metals. In this study, the degradation performance of chlorobenzene (CB) in the Fe2+-catalysed SPC system was investigated at different Fe2+ and SPC concentrations and pH conditions. Fe2+/Fe3+ conversion was also studied, and the SPC system was compared with the H2O2 and H2O2/Na2CO3 systems. Free radicals were identified through scavenging tests and electron paramagnetic resonance (EPR) experiments, and the reaction intermediates and by-products were determined as well. The results show that CB was completely removed when the molar concentration ratio of Fe2+/SPC/CB was 8 : 8 : 1 and that the decomposition of CB increased as the initial Fe2+/SPC dosage increased. The optimal molar concentration of Fe2+/SPC/CB was 2 : 1 : 1, and the degradation rate was inhibited when increasing or decreasing Fe2+ or SPC. CB degradation was not significantly affected by variation of initial pH, and the variation of pH during the degradation process corresponded well with the degree of Fe2+ to Fe3+ conversion and the formation of •OH. It was confirmed that •OH, O2•− and 1O2 participate in the degradation process. Moreover, not all the •OH takes part in the degradation process, as some transforms into O2•− and 1O2. The same degradation efficiency was obtained when replacing SPC by equal stoichiometric amounts of H2O2, compared with inhibition with the addition of Na2CO3. Further, a likely degradation pathway for CB is proposed based on the identified products. These results show that the Fe2+/SPC system can form the basis of a promising technology for the remediation of CB-contaminated groundwater.
Resonance with subthreshold oscillatory drive organizes activity and optimizes learning in neural networks
Authors: Roach James P. , Pidde Aleksandra , Katz Eitan , Wu Jiaxing , Ognjanovski Nicolette , Aton Sara J. , Zochowski Michal R.
Published: March 2018

Significance

Networks of neurons need to reliably encode and replay patterns and sequences of activity. In the brain, sequences of spatially coding neurons are replayed in both the forward and reverse direction in time with respect to their order in recent experience. As of yet there is no network-level or biophysical mechanism known that can produce both modes of replay within the same network. Here we propose that resonance, a property of neurons, paired with subthreshold oscillations in neural input facilitate network-level learning of fixed and sequential activity patterns and lead to both forward and reverse replay.
Busting a myth with the Bayes Factor
Authors: Schmalz Xenia , Mulatti Claudio
Published: March 2018

Psycholinguistic researchers identify linguistic variables and assess if they affect cognitive processes. One such variable is letter bigram frequency, or the frequency with which a given letter pair co-occurs in an orthography. While early studies reported that bigram frequency affects visual lexical decision, subsequent, well-controlled studies not shown this effect. Still, researchers continue to use it as a control variable in psycholinguistic experiments. We propose two reasons for the persistence of this variable: (1) Reporting no significant effect of bigram frequency cannot provide evidence for no effect. (2) Despite empirical work, theoretical implications of bigram frequency are largely neglected. We perform Bayes Factor analyses to address the first issue. In analyses of existing large-scale databases, we find no effect of bigram frequency in lexical decision in the British Lexicon Project, and some evidence for an inhibitory effect in the English Lexicon Project. We find strong evidence for an effect in reading aloud. This suggests that, for lexical decision, the effect is unstable, and may depend on item characteristics and task demands rather than reflecting cognitive processes underlying visual word recognition. We call for more consideration of theoretical implications of the presence or absence of a bigram frequency effect.
Microstructure and mechanical properties of Al–Si–Mg–Cu–Ti alloy with trace amounts of scandium
Authors: Li Yukun , Du Xiaodong , Fu Junwei , Zhang Ya , Zhang Zhen , Zhou Shi'ang , Wu Yucheng
Published: March 2018

The effect of Sc on the microstructure and mechanical properties of Al–Si–Mg–Cu–Ti alloy was investigated. Results obtained in this research indicate that, with increasing Sc content, the microstructure of the investigated alloys exhibits finer equiaxed dendrites with rounded edges and the morphology of the eutectic Si shows a complete transition from a coarse needle-like structure to a fine fibrous structure upon modification of eutectic Si. Subsequent T6 heat treatment had further induced the precipitation of nano-scaled secondary Al3(Sc, Ti) phase, as well as spheroidisation of eutectic Si. Combined with T6 heat treatment, the ultimate tensile strength, yield strength, percentage elongation and hardness were achieved in 0.20 wt-% Sc-modified alloy.
Correlation between particle size and porosity of Fe-based amorphous coating
Authors: Wu N. C. , Chen K. , Sun W. H. , Wang J. Q.
Published: March 2018

The relationship between the particle size and porosity of an Fe-based amorphous coating that is fabricated using a high-velocity oxygen fuel (HVOF) process was revealed by both numerical and experimental methods. A computational fluid dynamics model was implemented in order to understand the gas-flow field and the behaviour of in-flight particles with different particle sizes during the HVOF spray process. By analysing both particle velocity and temperature, the optimal particle size range (20–30 μm) to achieve low-porosity coatings was predicted. These calculations were experimentally verified by the production of a low porosity (0.95%), Fe-based amorphous coating that was fabricated by HVOF using the predicted optimal particle size.
Two British think tanks after the global financial crisis: intellectual and institutional transformations
Authors: Gonzalez Hernando Marcos
Published: March 2018

The New Economics Foundation and the Adam Smith Institute are at opposite ends of the British think tank scene.As such, their policy proposals following the 2008 financial crisis could hardly be more different. Whereas NEF saw the crisis as an opportunity to advance substantial reforms to the British economic model, the ASI sought to combat surging criticisms of market deregulation and found the root of the crisis in state intervention. Given these contrasts, this article traces these organisations’ intellectual and institutional transformations between 2007 and 2013. Based on interviews and documentary analysis, this paper compares their organisational structure, sponsors, output and perceived policy impact. Overall, the financial crisis had substantial effects on these think tanks’ research and funding, but perhaps the most significant transformation relates to their efforts to reposition themselves to reach and construct new publics. By 2013, NEF promoted alternative narrative frames to the austerity discourse, while the ASI sought to reach those ‘not already convinced’ of the advantages of free markets.
The monastic product’s biography, a sacralization wave
Authors: Paquier Marie-Catherine
Published: March 2018

Between its monastic origin and its merchant destination, the monastic product is moving from clergy to laity. What happens to this movement during the purchasing act? Imbued with work on the biography of things, this contextualized question is framed by Kopytoff’s theory, and
extends it by focusing on the purchase, when clerical marketers meet secular consumers. We mobilize the literature about the sacralization process in consumption, enriched by the concept of communitas. An ethnographic methodology is deployed in the French monastic context and its various
sales outlets. Findings show that the purchaser, when buying, is (re)joining communities which possess the sacred communitas characteristics. Incremented to previous work on gift-giving in such a purchase, they enable to show the re-sacralization process of the product. We conclude
by replacing the usually linear continuum between sacred and profane statuses by a sinusoidal sacralization wave.
Oxygen uptake during mini trampoline exercise in normal‐weight, endurance‐trained adults and in overweight‐obese, inactive adults: A proof‐of‐concept study
Authors: Höchsmann Christoph , Rossmeissl Anja , Baumann Sandra , Infanger Denis , Schmidt‐Trucksäss Arno
Published: March 2018

Objectives: To examine cardiorespiratory exertion during mini trampoline exercises of different intensities in both endurance‐trained athletes and overweight‐obese adults. Methods: Physically healthy participants (Group A: normal‐weight, endurance‐trained athletes; Group B: inactive, overweight‐obese adults) participated in two measurement appointments and three training sessions in between appointments, in which participants familiarized themselves with the use of the mini trampoline and the execution of the exercises. The primary outcome was the ⩒O2peak for each of the six mini trampoline exercises relative to the ⩒O2peak as established during an all‐out exercise test on a bike ergometer during the first measurement appointment. Secondary outcomes were average ⩒O2 as well as maximum and average heart rate. Results: The six mini trampoline exercises generated ⩒O2peak values between 42% and 81% in the endurance‐trained athletes and between 58% and 87% in the overweight‐obese participants, both in relation to the bike ergometer ⩒O2peak. Average ⩒O2 values ranged from 35% to 69% (endurance‐trained athletes) and from 48% to 71% (overweight‐obese participants), depending on exercise. Average heart rate likewise lay in a range that can be categorized as moderate‐to‐vigorous aerobic exercise for both groups. A moderate‐to‐strong correlation (0.658 to 0.875, depending on exercise) between bike ergometer ⩒O2peak and mini trampoline ⩒O2peak was found for all six exercises. Conclusions: Mini trampoline exercise has the potential to produce training intensities that concur with established exercise guidelines. The exercise intensity is self‐adjusting and allows for an effective and safe workout for different users with a wide range of fitness levels.
Global Health
Authors: Hanson Ardis , Hurd Peter D , Levin Bruce Lubotsky
Published: March 2018

Global public health includes the essentials of a healthy environment, such as drinkable water, food that is plentiful and safe to eat, and waste disposal that keeps the population safe. However, global health also focuses on the prevention of disease, the promotion of healthy lifestyles, and the early detection of health problems. While these issues were once critical local problems, diseases, such as tuberculosis and cholera, illustrate the importance of a global perspective on the health of the world population. This chapter offers case studies on Haïti and Ebola, showing how national health issues not only affect a nation or a state but also the world. Discussions on global health and health equity across the developmental lifespan include interventions to address infectious diseases and lifestyle choices and the social forces of aging, poverty, and urbanization. The chapter also examines the need for increased pharmacovigilance as a global issue.
Informatics
Authors: Hanson Ardis , Levin Bruce Lubotsky , Miranda Aimon
Published: March 2018

Given the amount and types of data collected by public and private organizations, as well as by local, city, county, state, and national agencies, purposes and information systems remain disparate in their structure and function. Hence, there is a significant need to develop high-quality data standards that provide the basis for uniform, comparable, and good-quality information on populations, disorders, and services that address the dual needs of pharmacy and public health. This chapter examines initiatives at the global, regional, and national levels, tying the semantics of health and surveillance to pharmacy practice to issues of technology, such as m-health, re-engineering, and automation.
Breast Imaging Reporting and Data System (BI-RADS)
Authors: D’Orsi Carl
Published: March 2018

This chapter, devoted to the Breast Imaging Reporting and Data System (BI-RADS), describes the standardized language applied to findings in mammography, breast ultrasound, and breast MRI. BI-RADS terms most frequently used are described, and most are illustrated by figures. In addition, the rules for a facility and radiologist audit are described, with definitions of true positive (TP), false positive (FP), true negative (TN), and false negative (FN) findings. Sensitivity (Se), specificity (Sp), positive predictive values 1, 2, and 3 (PPV1, 2, 3), and cancer detection rate are defined. An example of an audit is provided to clarify the use of these metrics.
The Brain and Body on Stress
Authors: McEwen Bruce S. , Rasgon Natalie L.
Published: March 2018

Neuroscientists have treated the brain in isolation from the rest of the body, while endocrinology and general medicine have viewed the body largely without regard to the influence of systemic physiology and pathophysiology on higher brain centers outside of the hypothalamus and pituitary gland. But now there is greater recognition of brain–body interactions affecting the limbic and cognitive systems of brain and altering systemic physiology; these are conceptualized as allostasis and allostatic load and overload. These concepts look at both the interactions of brain and body to stressors and health-promoting and health-damaging behaviors, and they help integrate behavior and mood with systemic functions. These interactions involve genetic predispositions and epigenetic alterations mediated by circulating steroid and metabolic hormones. Comorbidity and multi-morbidity of disorders will be illustrated by the relationship of systemic and brain insulin resistance to the psychopathology of depression and to the increased risk for dementia.
Biological Effects of Depression in Cardiac Illness
Authors: Mavrides Nicole , Nemeroff Charles
Published: March 2018

Both depression and cardiac disease are extremely common medical conditions, both separately and together. Depression in patients with cardiovascular disease (CVD) and coronary artery disease (CAD) has long been associated with poor functional and cardiovascular outcomes. Studies for the past 20 years have demonstrated that not only can depression affect the risk of CAD, but so can anxiety, panic, personality types, trauma, and stress. More recently, the studies have focused more on the pathophysiological processes that can characterize depression in cardiac disease; such as inflammation, heart rate variability, and platelet clotting abnormalities in addition to many others. This chapter focuses on the pathophysiological and biological mechanisms that can potentially explain the bidirectional association between depression and cardiac disease.
Depression and Cancer
Authors: McFarland Daniel C. , Holland Jimmie
Published: March 2018

The relationship between depression and cancer has long captured the imagination of clinicians and the lay population. Therefore, the science behind this putative relationship is paramount to determine reality from myth. This chapter begins with a historical and relevant clinical overview from within the context of psycho-oncology and psychoneuroimmunology. An exploration of the association between cancer and depression follows by reviewing cancer initiation and progression data in the context of depression. Biological correlates of the stress response in depression, inflammation, and its effects on cancer are presented. Social attributes to these biological phenomena are also evaluated through the putative mechanisms of epigenetics and the stress response. The strongest data for the relationship between depression and cancer fall into four distinct areas: (1) the cytokine hypothesis of depression; (2) dysregulation of the HPA, glucocorticoids, and diurnal circadian rhythms; (3) enhanced sympathetic nervous system activity; and (4) alterations in DNA protein transcription/epigenetics.
Gait Disorders
Authors: Shaibani Aziz
Published: March 2018

Gait is a complicated process that is initiated and maintained by different mechanisms, both neurological (including neuromuscular) and nonneurological (including musculoskeletal). Neuromuscular clinics receive referrals about patients who may have nonneuromuscular disorders such as Parkinson disease, focal foot dystonia, and multiple sclerosis (MS). It is important for neuromuscular specialists to be aware of other gait disorders as well. Important neuromuscular disorders of gait include neuropathies (foot drop, sensory ataxia), myopathies, muscle stiffness and spasms, myotonia, and motor neuron disease. Functional gait disorder comprises a significant entity that may lead to extensive, unnecessary investigations that can be saved if the specialist is aware of the characteristic features of these symptoms.
Dysphonia
Authors: Shaibani Aziz
Published: March 2018

Lack of function or malfunction of the vocal cords are not as common manifestations of neuromuscular disorders as dysarthria. It is typically seen in central diseases such as Parkinson disease. Certain muscle and nerve disorders affect the vocal cords, but in these cases, other features of these diseases make the diagnosis easy. Myasthenia gravis (MG) may present with intermittent hoarseness only early in the course of the disease. Consultation with an ear, nose, throat (ENT) specialist is recommended to characterize the type of cord pathology. Hysterical hoarseness and weakness are not unusual presentations to neuromuscular clinics. Unilateral vocal cord palsy is usually due to recurrent laryngeal nerve pathology.
Dyspnea
Authors: Shaibani Aziz
Published: March 2018

The most common causes of dyspnea are not neuromuscular, but rather cardiac and pulmonary. However, dyspnea is an important and serious manifestation of many neuromuscular disorders, and it may compound an underlying pulmonary or cardiac problem. The diaphragm is a skeletal muscle under the control of a peripheral nerve and may be targeted by inflammatory neuropathies such as Guillain-Barré syndrome (GBS), chronic inflammatory demyelinating polyneuropathy (CIDP), and brachial plexitis or myopathies such as acid maltase deficiency, muscular dystrophy (MD), and neuromuscular disorders such as myasthenia gravis (MG). Periodic measurement of pulmonary function is a recommended measure in neuromuscular clinics.
Proximal Arm Weakness
Authors: Shaibani Aziz
Published: March 2018

Proximal arm muscles include supra and infra spinatii, pectoralis major and minor, teres major and minor, rhomboids, serratus anterior, deltoids, biceps, and triceps. The main function of these muscles is to abduct the arms. The first sign of proximal weakness is difficulty raising arms above the horizontal level. Shoulder conditions like supraspinatus tendonitis are often confused as proximal weakness. In myopathies, usually proximal arm weakness is associated with proximal leg weakness. Motor neuron diseases (MNDs) like amyotrophic lateral sclerosis (ALS) and spinal muscular atrophy (SMA) and neuropathies like chronic inflammatory demyelinating polyneuropathy (CIDP) may present with symmetrical proximal weakness. For differentiation, electromyography/nerve conduction study (EMG/NCS) is crucial.