bluuebunny/crossref_metadata_2025 huggingface dataset:
Lattice Dynamics and Thermochemistry of Solid‐State Materials from First‐Principles Quantum‐Chemical Calculations
Authors: Stoffel Ralf Peter , Dronskowski Richard
Published: August 2017

Within the last decade, the prediction of the thermodynamic properties of solid‐state materials based on first‐principles quantum‐chemical methods has matured to a degree that allows for quantitative applications in real‐world scenarios. The key ingredient for modeling the thermodynamic potentials and their temperature dependence is given by the accurate simulation of lattice dynamics as described by the phonon model. On the basis of the electronic as well as phononic energies (plus other energetic contributions, if needed), macroscopic thermodynamic potentials such as the Gibbs free energy are accessible via the quasi‐harmonic approximation for any given solid‐state material, at least in principle.
The Pressing Role of Theory in Studies of Compressed Matter
Authors: Zurek Eva
Published: August 2017

Our chemical intuition, and indeed the periodic table, is based upon experience at 1 atm. However, in our universe, pressure spans an astounding 62 orders of magnitude (from interstellar space to the center of a neutron star). Chemistry is very different at high pressures, and because high‐pressure experiments can be very difficult or even impossible to carry out, first‐principles calculations are necessary to study matter at conditions of extreme pressure. In this chapter, we(i) describe computational techniques that can be employed to predict the structure of an extended system under pressure; (ii) describe how structure, chemical bonding, and electronic structure are affected by pressure; and (iii) provide examples of how theory has helped to interpret experimental data and provide predictions for experimental validation. We also comment on how well density functional theory does in predicting the structures and properties of compressed matter.
First‐Principles Computation ofNMRParameters in Solid‐State Chemistry
Authors: Cuny Jérôme , Gautier Régis , Halet Jean‐François
Published: August 2017

First‐principles calculations ofNMRparameters have been the subject of intense researches over the last decades both from a scientific challenge point of view and the importance of their applications in materials science. In particular, the last 15 years have seen fundamental breakthroughs in this domain with the development of several approaches specifically devoted to the calculation of NMR parameters such as quadrupolar couplings, chemical shifts, and J couplings in solid‐state systems. In this chapter, we will describe these different approaches highlighting their strengths, their limitations, and their range of applications. This will then be illustrated by a number of educational examples from different areas of materials science for which the synergy between theoretical calculations of NMR parameters and experimental studies have allowed to answer complex chemical topics.
Electrical Energy Storage: Supercapacitors
Authors: Zhao Enbo , Gu Wentian , Yushin Gleb
Published: August 2017

In this chapter, we describe the classification, construction, electrode materials, electrolyte compositions, and performance characteristics of various types of supercapacitors.
Supported Catalysts
Authors: Ogino Isao , Serna Pedro , Gates Bruce C.
Published: August 2017

Catalysts make chemical reactions go faster, often by many orders of magnitude in comparison with purely thermal processes. The dominant technological catalysts are solids, which offer the important practical benefit of being readily separated from fluid‐phase products. Solid catalysts are usually porous, having high internal surface areas and therefore high numbers of catalytically active species per unit of reactor volume to facilitate high rates of catalytic reaction. The preparation of common supported catalysts involves support synthesis, deposition of catalyst precursor components, and treatment to convert the supported species into catalytically active species. Industrial catalysts are also subjected to additional processing to control the sizes and shapes of the final product. The effect of the structure of a crystal face on catalysis is typically diagnosed in experiments with single crystals exposing various faces and often rationalized on the basis of relationships between the crystallographic orientations and the adsorbate‐adsorbent (reactant‐catalyst) binding energies.
Neutralization of Pathogenic Fungi with Small‐Molecule Immunotherapeutics
Authors: Chirkin Egor , Muthusamy Viswanathan , Mann Paul , Roemer Terry , Nantermet Philippe G. , Spiegel David A.
Published: August 2017

Systemic fungal infections represent an important public health concern, and new antifungal agents are highly desirable. Herein, we describe the design, synthesis, and biological evaluation of a novel class of antifungal compounds called antibody‐recruiting molecules targeting fungi (ARM‐Fs). Our approach relies on the use of non‐peptidic small molecules, which selectively bind fungal cells and recruit endogenous antibodies to their surfaces, resulting in immune‐mediated clearance. Using the opportunistic fungal pathogen Candida albicans as a model, we identified a highly specific bifunctional molecule able to mediate the engulfment and phagocytosis of C. albicans cells by human immune cells in biologically relevant functional assays. This work represents a novel therapeutic approach to treating fungal illness with significant potential to complement and/or combine with existing treatment strategies.
Enhanced conductivity of polyaniline in the presence of nonionic amphiphilic polymers and their diverse morphologies
Authors: Yang Liuqing , Wu Wenling , Ohki Yoshimichi , Feng Yang , Li Shengtao
Published: August 2017

Poly(ethylene oxide) (PEO) and its copolymers have excellent affinity for protons and contribute to proton transfer. In the present study, PEO and its copolymers, poly[(ethylene oxide)20‐(propylene oxide)70‐(ethylene oxide)20] (EO20PO70EO20, P123) and poly[(ethylene oxide)106‐(propylene oxide)70‐(ethylene oxide)106] (EO106PO70EO106, F127), have been found to significantly enhance the conductivity of polyaniline (PANI). After introducing these polymers, the conductivity of PANI is markedly promoted more than two orders of magnitude compared to that of PANI without additives, from 5.2 to 667 S/m. The molecular weight of PEO affects the conductivity of PANI/PEO. The mechanism by which these amphiphilic polymers are beneficial to the conductivity of PANI is studied experimentally and theoretically. The PANI/P123 prepared in the presence of PEO block copolymer shows gradually varying morphologies containing leaflike sheets, rodlike particles, and uniform chestnutlike sphere particles. This is similar to the morphology change of micelles with surfactant concentration. PEO, P123, and F127 are further found to have a positive effect on PANI as a material for sensors or supercapacitors, since high specific capacity and fast response rate are desired qualities in sensors and supercapacitors. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45547.
Preparation of alginate flame retardant containing P and Si and its flame retardancy in epoxy resin
Authors: Chen Wei , Liu Yuansen , Liu Yuan , Wang Qi
Published: August 2017

In the present paper, a novel biomass flame retardant based on alginic acid was synthesized through chemical combination with a reactive P–Si compound. Compared with alginates, the modified alginate showed obviously increased thermal stability and water resisting property, as well as better compatibility with epoxy resin, which can satisfy the requirements of a flame‐retardant additive in the polymer. The flame‐retardant properties were evaluated by vertical burning tests, limiting oxygen index, and microscale combustion calorimetry. Due to the self‐charring capacity of alginate combined with the charring catalyst from P and the charring reinforcer from Si, the modified alginate exhibited much better flame retardancy, taking advantage of the formation of a more continuous, denser, and strengthened char layer than either individual alginate or P–Si flame retardant. The corresponding flame‐retardant mechanisms were investigated and discussed. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45552.
Early definitive treatment rate as a quality indicator of care in acute gallstone pancreatitis
Authors: Green R , Charman S C , Palser T
Published: August 2017

Background

Early definitive treatment (cholecystectomy or endoscopic sphincterotomy in the same admission or within 2 weeks after discharge) of gallstone disease after a biliary attack of acute pancreatitis is standard of care. This study investigated whether compliance with early definitive treatment for acute gallstone pancreatitis can be used as a care quality indicator for the condition.

Methods

A retrospective cohort study was conducted using the Hospital Episode Statistics database. All emergency admissions to National Health Service hospitals in England with a first time diagnosis of acute gallstone pancreatitis in the financial years 2008, 2009 and 2010 were examined. Trends in early definitive treatment between hospital trusts were examined and patient morbidity outcomes were determined.

Results

During the study interval there were 19 510 patients with an overall rate of early definitive treatment at 34·7 (range 9·4–84·7) per cent. In the 1-year follow-up period, 4661 patients (23·9 per cent) had one or more emergency readmissions for complications related to gallstone pancreatitis. Of these, 2692 (57·8 per cent) were readmissions for acute pancreatitis; 911 (33·8 per cent) were within the first 2 weeks of discharge, with the remaining 1781 (66·2 per cent) occurring after the point at which definitive treatment should have been received. Early definitive treatment resulted in a 39 per cent reduction in readmission risk (adjusted risk ratio (RR) 0·61, 95 per cent c.i. 0·58 to 0·65). The risk was further reduced for acute pancreatitis readmissions to 54 per cent in the early definitive treatment group (adjusted RR 0·46, 0·42 to 0·51).

Conclusion

In acute gallstone pancreatitis, compliance with recommended early definitive treatment varied considerably, with associated variation in outcomes. Compliance should be used as a quality indicator to improve care.
Low‐Recombination Thieno[3,4‐b]thiophene‐Based Photosensitizers for Dye‐Sensitized Solar Cells with Panchromatic Photoresponses
Authors: Brogdon Phillip , Cheema Hammad , Delcamp Jared H.
Published: August 2017

We report four NIR photosensitizers employing a low‐recombination donor and a thieno[3,4‐b]thiophene (3,4‐TT) π bridge for use in dye‐sensitized solar cells. The inclusion of electron rich π spacers red‐shifts the dye absorbance with solution absorption onsets reaching 700 nm. Dyes were found to have suitable energy levels for rapid electron transfers using cyclic voltammetry and UV/Vis–NIR absorption spectroscopy. Computationally optimized ground‐state geometries show an increased torsional angle between π spacer and π bridge brought about by an added alkyl chain. This results in a widened optical band gap and increased oxidation potentials owing to a weakening of the electron‐accepting ability of 3,4‐TT for solution‐state measurements. Interestingly in terms of device parameters, the alkylated π spacer had a nearly identical incident photon‐to‐current conversion efficiency (IPCE) curve onset when compared to a non‐alkylated analogue, suggesting more similar dye geometries on the surface of TiO2. Elevated short‐circuit current density (JSC) values and comparable open‐circuit voltage (VOC) values were observed in the alkylated‐π‐spacer‐dye‐based devices with power conversion efficiencies up to 6.8 % observed with IPCE onsets exceeding 800 nm.
Horticultural Production in Burkina Faso: A Comprehensive Socio‐Economic Analysis
Authors: Sanfo Safiétou , Barbier Bruno , Zangre Adolphe
Published: August 2017

This study assessed the horticultural sector of Burkina Faso thanks to a national database containing data collected by the agricultural statistical service. A socio‐economic analysis shed light on some of the determinants of production. The data show that the sector is very much undercapitalized with little use of inputs or agricultural equipment. The vast majority of market gardeners use hand tools to produce small quantities of market garden produce. Women account for one quarter of plot managers and most producers are young and illiterate. Production is organized informally. Government support is rare because production is scattered over a multitude of small locations around small reservoirs, rivers and in lowlands. The study calls into question a number of misconceptions and makes some recommendations. Copyright © 2017 John Wiley & Sons, Ltd.
Collagen‐coated nano‐electrospun PCL seeded with human endometrial stem cells for skin tissue engineering applications
Authors: Sharif Shiva , Ai Jafar , Azami Mahmoud , Verdi Javad , Atlasi Mohammad Ali , Shirian Sadegh , Samadikuchaksaraei Ali
Published: August 2017

Human endometrial stem cells (hEnSCs) are known as an attractive source of stem cells for regenerative medicine. hEnSCs are easily isolated and are capable of repairing uterine through their strong ability of creating new capillaries. In this study, a three‐dimensional (3D) nanofibrous polycaprolactone (PCL)/collagen scaffold was fabricated and characterized in order to be applied as a new approach for skin reconstruction. Furthermore, the behavior of hEnSCs on this scaffold was investigated. First, a PCL 3D scaffold was constructed using electrospinning technique. Plasma treated and PCL was grafted by collagen. The constructs were characterized for mechanical and structural properties. Cell attachment, proliferation, viability, and differentiation of hEnSCs were assessed after being seeded on PCL and PCL/collagen scaffolds using scanning electron microscopy, 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide, and real‐time polymerase chain reaction tests. The results showed higher wettability for the PCL/collagen scaffold with desirable mechanical and structural characteristics compared to PCL and collagen alone. The attachment and proliferation rates of hEnSCs on the PCL/collagen scaffold were higher compared to those on the bare PCL. Hence, hEnSCs are newly discovered stem cell source for skin tissue engineering in vitro, particularly when developed on PCL/collagen nanofiber scaffolds. Therefore, application of hEnSCs for skin regeneration is a novel therapeutic approach for temporary skin substitute. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 1578–1586, 2018.
High prevalence of HBV infection, detection of subgenotypes F1b, A2, and D4, and differential risk factors among Mexican risk populations with low socioeconomic status
Authors: Jose‐Abrego Alexis , Panduro Arturo , Fierro Nora A. , Roman Sonia
Published: August 2017

Hepatitis B virus (HBV) infection may be underestimated among high‐risk individuals in regions of low HBs antigenemia. This study aimed to assess HBV serological markers, genotypes, and risk factors in Mexican patients with risk of HBV infection and low socioeconomic status. Demographics, clinical, and risk factor data were collected in patients with HIV (n = 289), HCV (n = 243), deferred blood donors (D‐BD) (n = 83), and two native populations, Mixtecos (n = 57) and Purepechas (n = 44). HBV infection was assessed by HBsAg, anti‐HBc, and HBV‐DNA testing. Overall, patients had low education and very‐low income. Totally, HBsAg prevalence was 16.5% (113/684) ranging from 0.7% (HCV) to 37.3% (D‐BD), while anti‐HBc was 30.2% (207/684). Among 52 sequences, genotypes H (n = 34, 65.4%), G (n = 4, 7.7%), subgenotypes F1b (n = 7, 13.5%), A2 (n = 6, 11.5%), and D4 (n = 1, 1.9%) were detected. Surgeries, sexual promiscuity, and blood transfusions had a differential pattern of distribution. In HCV patients, single (OR = 5.84, 95%Cl 1.91‐17.80, P = 0.002), MSM (OR = 4.80, 95%Cl 0.75‐30.56, P = 0.097), and IDU (OR = 2.93, 95%CI 1.058‐8.09, P = 0.039) were predictors for HBV infection. While IDU (OR = 2.68, 95%CI 1.08‐6.61, P = 0.033) and MSM (OR = 2.64, 95%CI 1.39‐5.04, P = 0.003) were predictors in HIV patients. In this group, MSM was associated with HBsAg positivity (OR = 3.45, 95%CI 1.48‐8.07, P = 0.004) and IDU with anti‐HBc positivity (OR = 5.12, 95%CI 2.05‐12.77, P < 0.001). In conclusion, testing with a combined approach of three different HBV markers, a high prevalence of HBV infection, a differential distribution of HBV genotypes, including subgenotypes F1b, A2, and D4, as well as risk factors in low‐income Mexican risk groups were detected.
Limitation of dimethylsulfoniopropionate synthesis at high irradiance in natural phytoplankton communities of the Tropical Atlantic
Authors: Archer Stephen D. , Stefels Jacqueline , Airs Ruth L. , Lawson Tracy , Smyth Timothy J. , Rees Andrew P. , Geider Richard J.
Published: August 2017

Predictions of the ocean‐atmosphere flux of dimethyl sulfide will be improved by understanding what controls seasonal and regional variations in dimethylsulfoniopropionate (DMSP) production. To investigate the influence of high levels of irradiance including ultraviolet radiation (UVR), on DMSP synthesis rates (μDMSP) and inorganic carbon fixation (μPOC) by natural phytoplankton communities, nine experiments were carried out at different locations in the low nutrient, high light environment of the northeastern Tropical Atlantic. Rates of μDMSP and μPOC were determined by measuring the incorporation of inorganic 13C into DMSP and particulate organic carbon. Based on measurements over discrete time intervals during the day, a unique μDMSP vs. irradiance (P vs. E) relationship was established. Comparison is made with the P vs. E relationship for μPOC, indicating that light saturation of μDMSP occurs at similar irradiance to μPOC and is closely coupled to carbon fixation on a diel basis. Photoinhibition during the middle of the day was exacerbated by exposure to UVR, causing an additional 55–60% inhibition of both μDMSP and μPOC at the highest light levels. In addition, decreased production of DMSP in response to UVR‐induced photoxidative stress, contrasted with the increased net synthesis of photoprotective xanthophyll pigments. Together these results indicate that DMSP production by phytoplankton in the tropical ocean is not regulated in the short term by the necessity to control increasing photooxidative stress as irradiance increases during the day. The study provides new insight into the regulation of resource allocation into this biogeochemically important, multi‐functional compatible solute.
New path elimination constraints for multi‐depot routing problems
Authors: Bektaş Tolga , Gouveia Luís , Santos Daniel
Published: August 2017

Multi‐depot routing problems arise in distribution logistics where a set of vehicles based at several depots are used to serve a number of clients. Most variants of this problem have the basic requirement that the route of each vehicle starts and ends at the same depot. This article describes new inequalities, namely multi‐cut constraints (MCC), which enforce this requirement in mathematical programming formulations of multi‐depot routing problems. The MCCs are exponential in size, and are equivalent to a compact three‐index formulation for the problem in terms of the associated linear programming relaxations. The article describes how a generalization of the MCCs can be obtained, in a similar manner, by using a stronger version of the three‐index formulation. The connection between the compact and the exponential formulations implies a separation procedure based on max‐flow/min‐cut computations, which has reduced complexity in comparison with a previously known set of constraints described for the same purpose. The new inequalities are used in a branch‐and‐cut algorithm. Computational results are presented for instances with up to 300 clients and 60 depots. © 2017 Wiley Periodicals, Inc. NETWORKS, Vol. 70(3), 246–261 2017
Synthesis and characterization of alkyl chain containing polytriazoleimide/reduced graphene oxide nanocomposites
Authors: Balasubramanian R. , Thirukumaran P. , Parveen A. Shakila , Babu C.M. , Ramkumar V. , Selvamani A. , Srinivasan V.V. , Lee Jaewoong
Published: August 2017

Polytriazoleimide/reduced graphene oxide (PTAI/RGO) nanocomposites were prepared by typical solution casting and thermal imidization method. Initially, the GO was synthesized by Hummers method, then reduced with hydrazine hydrate to obtain RGO and the diamine containing 1,2,3‐triazole ring and alkyl chain were synthesized by the 1,3‐dipolar cycloaddition reaction in the presence of Cu(I) catalyst by click reaction. The monomers and polymers were characterized by FTIR and NMR spectroscopy. The mechanical, thermal, and morphological properties of PTAI/RGO (0, 1, 2 and 3 wt%) are reported. The glass transition temperature of the nanocomposites is in the range of 164–182°C. The tensile strength of the PTAI/RGO nanocomposites film was dramatically increased from 72 to 114 MPa from 0 to 3 wt% of RGO, which is ∼53% of improvement compared to that of pure PTAI films and the corresponding tensile modulus increased from 1.4 to 2.65 GPa. The thermogravimetric analysis (TGA) of the nanocomposites improved the thermal stability by the addition of RGO. The temperature corresponding 5% (T5%) weight loss are in the range of 280–331°C. The dispersion of RGO in the surface of the nanocomposites was analyzed by scanning electron microscopy and transmission electron microscopy. This effective approach shows a potential application in polyimides‐based nanocomposites. POLYM. COMPOS., 39:4425–4433, 2018. © 2017 Society of Plastics Engineers
A DFT study on the healing of N‐vacancy defects in boron nitride nanosheets and nanotubes by a methylene molecule
Authors: Esrafili Mehdi D. , Saeidi Nasibeh
Published: August 2017

In the present work, density functional theory calculations are used to investigate the healing mechanism of a N‐vacancy defect in boron nitride nanosheet (BNNS) or nanotube (BNNT) with a CH2 molecule. The healing process starts with the chemisorption of CH2 at the defect site, followed by its dehydrogenation over the surface. Next, a H2 molecule is produced which can be easily released from the surface due to its small adsorption energy. For the dehydrogenation of CH2 molecule over the defective BNNS or BNNT, the first CH bond dissociation is the rate determining step. Our results indicate that the dehydrogenation of CH2 over BNNS is both thermodynamically and kinetically more favorable than over BNNT. Besides, this study proposes a novel method for achieving C‐doped BNNSs and BNNTs. Given that the healing process proceeds without using a metal catalyst, therefore, no any purification is needed to remove the catalyst.
Water‐Encapsulated Ni(II) Salphen‐Type Host Complexes: Experimental and Theoretical Analysis of Potentially Bioactive Quasi‐Isostructural Polymorphs
Authors: Sreekumar Sreejith S. , Mohan Nithya , Kurup Maliyeckal R. Prathapachandra
Published: August 2017

In this study, we report the formation of two quasi‐isostructural polymorphs (αandβ) of a Ni(II) salphen‐type Schiff base complex using solvent evaporation technique. The polymorphs are inclusion compounds with guest water molecules exhibiting similar spectroscopic and thermal characteristics. Single crystal XRD (X‐ray Diffraction) analyses reveal the subtle differences in packing and supramolecular interactions which are quantified using Hirshfeld and 2D finger print analyses. Electrostatic potential analysis shows significant difference in potential distribution in the two molecules. The compositional analysis of the frontier orbitals and differences among the atomic charge distribution of the polymorphs are established using DFT (Density Functional Theory) calculations. Apart from highlighting the strength of encapsulation, DFT study substantiates the formation of inclusion compounds through single point energy calculations. Effects of inherent differences in the polymorphs on potential biological activity are probed usingin silicomolecular docking with B‐DNA and Human Serum Albumin (HSA). Theαform shows superior bioactivity whileβform excels in water encapsulation.
Discovery of Imidazoquinazolinone Derivatives as TSPO Ligands Modulating Neurosteroidogenesis and Cellular Bioenergetics in Neuroblastoma Cells Expressing Amyloid Precursor Protein
Authors: Hallé François , Lejri Imane , Abarghaz Mustapha , Grimm Amandine , Klein Christian , Maitre Michel , Schmitt Martine , Bourguignon Jean‐Jacques , Mensah‐Nyagan Ayikoe Guy , Eckert Anne , Bihel Frederic
Published: August 2017

Starting from the central benzodiazepine receptor (CBR) ligand CGS‐13767, we designed a series of imidazoquinazolinone derivatives acting as 18 kDa translocator protein (TSPO) ligands, and deprived of affinity for CBR. These compounds, as well as ligands of reference (Ro5‐4864, XBD173, SSR180575), were assessed for their ability to restore neurosteroidogenesis and energy production in SH‐SY5Y neuroblastoma cell lines expressing amyloid protein precursor (APP). Our results show the potential neuroprotective effect of TSPO ligands, but highlight a strong discrepancy in the active concentrations, nanomolar for ATP production while pregnenolone production is restored in the micromolar range.
Synthesis of 2D Layered BiI3Nanoplates, BiI3/WSe2van der Waals Heterostructures and Their Electronic, Optoelectronic Properties
Authors: Li Jia , Guan Xun , Wang Chen , Cheng Hung‐Chieh , Ai Ruoqi , Yao Kangkang , Chen Peng , Zhang Zhengwei , Duan Xidong , Duan Xiangfeng
Published: August 2017

Two–dimensional layered materials (2DLMs) have attracted considerable recent interest as a new material platform for fundamental materials science and potential new technologies. Here we report the growth of layered metal halide materials and their optoelectronic properties. BiI3nanoplates can be readily grown on SiO2/Si substrates with a hexagonal geometry, with a thickness in the range of 10–120 nm and a lateral dimension of 3–10 µm. Transmission electron microscopy and electron diffraction studies demonstrate that the individual nanoplates are high quality single crystals. Micro‐Raman studies show characteristicAgband at ≈115 cm−1with slight red‐shift with decreasing thickness, and micro‐photoluminescence studies show uniform emission around 690 nm with blue‐shift with decreasing thickness. Electrical transport studies of individual nanoplates show n‐type semiconductor characteristics with clear photoresponse. Further, the BiI3can be readily grown on other 2DLMs (e.g., WSe2) to form van der Waals heterostructures. Electrical transport measurements of BiI3/WSe2vertical heterojunctions demonstrate p–n diode characteristics with gate‐tunable rectification behavior and distinct photovoltaic effect. The synthesis of the BiI3nanoplates can expand the library of 2DLMs and enable a wider range of van der Waals heterostructures.
Comparison of spatial summation properties at different body sites
Authors: Holbert Maleea D. , Pedler Ashley , Camfermann Danny , Harvie Daniel S.
Published: August 2017

Background and aims

The nociceptive system appears to have evolved a range of protective characteristics that are of great interest in understanding both acute and chronic pain. Spatial summation is one important characteristic, whereby increasing area of a stimulus, or distance between multiple stimuli, results in more intense pain—not only greater area of pain. One of the mysteries of chronic pain is why spinal pain is so prevalent relative to pain at other sites. Since pathological tissue models have failed to fully explain spinal pain, we theorized that body region specific differences in sensory processing—such as a greater propensity for spatial summation—may help to explain its vulnerability. We aimed to examine this by comparing the properties of summation at different body parts: the dorsal forearm, neck, and back.

Methods

Spatial summation of pain was investigated using noxious intra-dermal electrical stimuli in healthy pain-free adults (14 males, 6 females), and the perceived pain intensity was rated on a 0-100 pain scale. Area-based stimulation was investigated by doubling the stimulation area with the addition of a second electrode placed adjacent to the first. Distance-based summation was investigated by randomly varying the separation distance between paired noxious electrical stimuli at separations of 0,10,15, and 20 cm.

Results

This study demonstrated that the properties of area- and distance-based summation are uniform across the neck, back, and forearm in healthy adults. Spatial summation of pain was also found to be greatest at 15- and 20-cm paired separations for all body regions tested, confirming that noxious information can be integrated over an extensive anatomical area.

Conclusion

Data from this investigation refutes the thesis that spatial summation of pain may be a contributing factor for the reported difference in chronicity rates between spinal and peripheral sites. It remains, however, a potentially important mechanism by which noxious inputs from multi-level pathology might integrate and contribute to pain.

Implications

While data from this project suggest that there are no regional differences in the properties of spatial summation of noxious stimuli, regional differences in other characteristics of the nociceptive system may yet provide insight into why some spinal pain is so highly prevalent; nociceptive distance-based summation may be highly relevant where two or more conditions co-exist in close proximity.
Empirical Law and Economics Scholarship in China: Methodologies and Challenges
Authors: CHEN Ruoying
Published: August 2017

Providing a survey of empirical law and economics scholarship in China, this paper shows the binary categories of quantitative versus qualitative studies are inadequate. Instead, two paths for future research in empirical law and economics in China are identified, namely studies based upon individual cases and studies that apply social scientific tools to analyze data, such as statistical and experimental tools. This paper also emphasizes the unique value of empirical law and economics for Chinese scholars in the increasingly globalized academic world.
CORPSE ADMONITION: WU KEDU AND BUREAUCRATIC PROTEST IN LATE QING CHINA
Authors: Chan Ying-kit
Published: August 2017

In late imperial China, an extremely small number of bureaucrats adopted corpse admonition (shijian尸諫) to protest with their death what they regarded as inadequacies or failings in the imperial structure. This article introduces the case of Wu Kedu 吳可讀, who killed himself to protest the designation, by the late Qing empress dowagers Ci'an and Cixi, of Guangxu as the emperor, and as the adopted son of Xianfeng and not as the heir to Tongzhi. The article argues that Wu Kedu's suicide, which was highly praised during and after its time, was an attempt to sway bureaucratic opinion to put a check on the arbitrary power of empress dowagers, but instead had the unintended consequence of reinforcing it. More importantly, Wu Kedu's corpse admonition was a precursor of the outpouring of voices of remonstrance over political issues at the turn of the twentieth century, leading to further development of the Chinese “constitutional agenda.”
Islam in Champa and the Making of Factitious History
Authors: HAW STEPHEN G.
Published: August 2017

Since their first publication in 1922, two Islamic inscriptions formed an essential basis of the early history of Islam in Champa. Recently, however, they have been shown to have originated, not from Southeast Asia, but from Tunisia. It is clear that either there was an error regarding their provenance, or it was deliberately falsified. The implications of this are discussed, and the remaining evidence of early Islamic presence in Champa is reassessed. It is suggested that there is now no good evidence of any Islamic presence there until after the sixteenth century. In relation to this issue, the maritime links between China and the Islamic world are examined, as also are other examples of possible falsification of history.
First evaluation steps of a new method for dietary intake estimation regarding a list of key food groups in adults and in different sociodemographic and health-related behaviour strata
Authors: Béjar Luis M
Published: August 2017

Objective

A new method known as ‘current-day dietary recall’ (current-day recall) is based on an application for mobile phones called ‘electronic 12 h dietary recall’ (e-12HR). This new method was designed to rank participants into categories of habitual intake regarding a series of key food groups. The present study compared current-day recall against a previously validated short paper FFQ.

Design

Participants recorded the consumption of selected food groups using e-12HR during twenty-eight consecutive days and then filled out a short paper FFQ at the end of the study period. To evaluate the association and agreement between both methods, Spearman’s correlation coefficients (SCC), cross-classification analysis and weighted kappa statistics (κw) were used.

Setting

Andalusia, Spain, Southern Europe.

Subjects

University students and employees over the age of 18 years.

Results

One hundred and eighty-seven participants completed the study (64·2 % female, 35·8 % male). For all particpants, for all food group intakes, the mean SCC was 0·70 (SCC≥0·62 were observed for all strata); the mean percentage of participants cross-classified into categories of ‘exact agreement+adjacent’ was 90·1 % (percentages≥87·8 % were observed for all strata); and the meanκwwas 0·55 (κw≥0·53 in ten of the twelve strata).

Conclusions

For the whole sample and for all strata thereof, the current-day recall has good agreement with the previously validated short paper FFQ for assessing food group intakes, rendering it a useful method for ranking individuals.
FIFTH-ORDER EVOLUTION EQUATION OF GRAVITY–CAPILLARY WAVES
Authors: CHOWDHURY DIPANKAR , DEBSARMA SUMA
Published: August 2017

We extend the evolution equation for weak nonlinear gravity–capillary waves by including fifth-order nonlinear terms. Stability properties of a uniform Stokes gravity–capillary wave train is studied using the evolution equation obtained here. The region of stability in the perturbed wave-number plane determined by the fifth-order evolution equation is compared with that determined by third- and fourth-order evolution equations. We find that if the wave number of longitudinal perturbations exceeds a certain critical value, a uniform gravity–capillary wave train becomes unstable. This critical value increases as the wave steepness increases.
The genetic basis of natural variation in a phoretic behavior
Authors: Lee Daehan , Yang Heeseung , Kim Jun , Brady Shannon , Zdraljevic Stefan , Zamanian Mostafa , Kim Heekyeong , Paik Young-ki , Kruglyak Leonid , Andersen Erik C. , Lee Junho
Published: August 2017

Phoresy is a widespread form of commensalism that facilitates dispersal of one species through an association with a more mobile second species. Dauer larvae of the nematode Caenorhabditis elegans exhibit a phoretic behavior called nictation, which could enable interactions with animals such as isopods or snails. Here, we show that natural C. elegans isolates differ in nictation. We use quantitative behavioral assays and linkage mapping to identify a genetic locus (nict-1) that mediates the phoretic interaction with terrestrial isopods. The nict-1 locus contains a Piwi-interacting small RNA (piRNA) cluster; we observe that the Piwi Argonaute PRG-1 is involved in the regulation of nictation. Additionally, this locus underlies a trade-off between offspring production and dispersal. Variation in the nict-1 locus contributes directly to differences in association between nematodes and terrestrial isopods in a laboratory assay. In summary, the piRNA-rich nict-1 locus could define a novel mechanism underlying phoretic interactions.
Differential epitope recognition in the immunodominant staphylococcal antigen A of Staphylococcus aureus by mouse versus human IgG antibodies
Authors: Koedijk Dennis G. A. M. , Pastrana Francisco Romero , Hoekstra Hedzer , Berg Sanne van den , Back Jaap Willem , Kerstholt Carolien , Prins Rianne C. , Bakker-Woudenberg Irma A. J. M. , van Dijl Jan Maarten , Buist Girbe
Published: August 2017

The immunodominant staphylococcal antigen A (IsaA) is a potential target for active or passive immunization against the important human pathogenStaphylococcus aureus. Consistent with this view, monoclonal antibodies against IsaA were previously shown to be protective againstS.aureusinfections in mouse models. Further, patients with the genetic blistering disease epidermolysis bullosa (EB) displayed high IsaA-specific IgG levels that could potentially be protective. Yet, mice actively immunized with IsaA were not protected againstS.aureusinfection. The present study was aimed at explaining these differences in IsaA-specific immune responses. By epitope mapping, we show that the protective human monoclonal antibody (humAb) 1D9 recognizes a conserved 62-residue N-terminal domain of IsaA. The same region of IsaA is recognized by IgGs in EB patient sera. Further, we show by immunofluorescence microscopy that this N-terminal IsaA domain is exposed on theS.aureuscell surface. In contrast to the humAb 1D9 and IgGs from EB patients, the non-protective IgGs from mice immunized with IsaA were shown to predominantly bind the C-terminal domain of IsaA. Altogether, these observations focus attention on the N-terminal region of IsaA as a potential target for future immunization againstS.aureus.
Altered Cerebellar Biochemical Profiles in Infants Born Prematurely
Authors: Brossard-Racine Marie , Murnick Jonathan , Bouyssi-Kobar Marine , Coulombe Janie , Chang Taeun , Limperopoulos Catherine
Published: August 2017

This study aims to compare the cerebellar biochemical profiles in preterm (PT) infants evaluated at term equivalent age (TEA) and healthy full-term newborns using proton magnetic resonance spectroscopy (1H-MRS). We explore the associations between altered cerebellar metabolite profiles and brain injury topography, severity of injury, and prematurity-related clinical complications. We prospectively collected high quality 1H-MRS in 59 premature infants born ≤32 weeks and 61 healthy full term controls. 1H-MRS data were processed using LCModel software to calculate absolute metabolite concentration for N-acetyl-aspartate (NAA), choline (Cho) and creatine (Cr). PT infants had significantly lower cerebellar NAA (p < 0.025) and higher Cho (p < 0.001) at TEA when compared to healthy controls. Creatine was not different between the two groups. The presence of cerebellar injury was consistently associated with reduced concentrations for NAA, Cho, and Cr. Postnatal infection was negatively associated with NAA and Cr (p < 005), while cerebral cortical brain injury severity was inversely associated with both Cho and Cr (p < 0.01). We report for the first time that premature birth is associated with altered cerebellar metabolite profiles when compared to term born controls. Infection, cerebellar injury and supratentorial injury are important risk factors for impaired preterm cerebellar biochemistry.
The lichen secondary metabolite atranorin suppresses lung cancer cell motility and tumorigenesis
Authors: Zhou Rui , Yang Yi , Park So-Yeon , Nguyen Thanh Thi , Seo Young-Woo , Lee Kyung Hwa , Lee Jae Hyuk , Kim Kyung Keun , Hur Jae-Seoun , Kim Hangun
Published: August 2017

Lichens are symbiotic organisms that produce various secondary metabolites. Here, different lichen extracts were examined to identify secondary metabolites with anti-migratory activity against human lung cancer cells. Everniastrum vexans had the most potent inhibitory activity, and atranorin was identified as an active subcomponent of this extract. Atranorin suppressed β-catenin-mediated TOPFLASH activity by inhibiting the nuclear import of β-catenin and downregulating β-catenin/LEF and c-jun/AP-1 downstream target genes such as CD44, cyclin-D1 and c-myc. Atranorin decreased KAI1 C-terminal interacting tetraspanin (KITENIN)-mediated AP-1 activity and the activity of the KITENIN 3′-untranslated region. The nuclear distribution of the AP-1 transcriptional factor, including c-jun and c-fos, was suppressed in atranorin-treated cells, and atranorin inhibited the activity of Rho GTPases including Rac1, Cdc42, and RhoA, whereas it had no effect on epithelial-mesenchymal transition markers. STAT-luciferase activity and nuclear STAT levels were decreased, whereas total STAT levels were moderately reduced. The human cell motility and lung cancer RT² Profiler PCR Arrays identified additional atranorin target genes. Atranorin significantly inhibited tumorigenesis in vitro and in vivo. Taken together, our results indicated that E. vexans and its subcomponent atranorin may inhibit lung cancer cell motility and tumorigenesis by affecting AP-1, Wnt, and STAT signaling and suppressing RhoGTPase activity.
Separating Vegetation Greening and Climate Change Controls on Evapotranspiration trend over the Loess Plateau
Authors: Jin Zhao , Liang Wei , Yang Yuting , Zhang Weibin , Yan Jianwu , Chen Xuejuan , Li Sha , Mo Xingguo
Published: August 2017

Evapotranspiration (ET) is a key ecological process connecting the soil-vegetation-atmosphere system, and its changes seriously affects the regional distribution of available water resources, especially in the arid and semiarid regions. With the Grain-for-Green project implemented in the Loess Plateau (LP) since 1999, water and heat distribution across the region have experienced great changes. Here, we investigate the changes and associated driving forces of ET in the LP from 2000 to 2012 using a remote sensing-based evapotranspiration model. Results show that annual ET significantly increased by 3.4 mm per year (p = 0.05) with large interannual fluctuations during the study period. This trend is higher than coincident increases in precipitation (2.0 mm yr−2), implying a possible pressure of water availability. The correlation analysis showed that vegetation change is the major controlling factor on interannual variability of annual ET with ~52.8% of pixels scattered in the strip region from the northeastern to southwestern parts of the LP. Further factorial analysis suggested that vegetation greening is the primary driver of the rises of ET over the study period relative to climate change. Our study can provide an improved understanding of the effects of vegetation and climate change on terrestrial ecosystem ET in the LP.
Assessment of the role of ageing and non-ageing factors in death from non-communicable diseases based on a cumulative frequency model
Authors: Hui Liu
Published: August 2017

To quantify the effects of ageing and non-ageing factors, a characterization of the effects of ageing, genetic, and exogenous variables on 12 major non-communicable diseases was evaluated using a model assessing cumulative frequency of death and survival by age group from dead and surviving populations based on mortality statistics. Indices (0–1) of the roles of ageing (ARD), genetics (GRD) and exogenous (ERD) variables in deaths due to disease were established, and the sum of ARD, GRD and ERD was 1 (value of each indices was <1). Results showed that ageing plays an important role in death from chronic disease; exogenous factors may contribute more to the pattern of chronic disease than genetic factors (ARD, GRC and ERD were 0.818, 0.058 and 0.124 respectively for all non-communicable diseases). In descending order, ERD for non-communicable diseases were breast cancer, leukaemia, cancer of the cervix uteri and uterus, liver cancer, nephritis and nephropathy, stomach cancer, lung cancer, diabetes, cerebrovascular disease, coronary heart disease, COPD, and Alzheimer’s disease, while a smaller ERD indicated a tendency of natural death. An understanding of the aforementioned complex relationships of specific non-communicable diseases will be beneficial in designing primary prevention measures for non-communicable diseases in China.
Characterization of the Mollusc RIG-I/MAVS Pathway Reveals an Archaic Antiviral Signalling Framework in Invertebrates
Authors: Huang Baoyu , Zhang Linlin , Du Yishuai , Xu Fei , Li Li , Zhang Guofan
Published: August 2017

Despite the mitochondrial antiviral signalling protein (MAVS)-dependent RIG-I-like receptor (RLR) signalling pathway in the cytosol plays an indispensable role in the antiviral immunity of the host, surprising little is known in invertebrates. Here we characterized the major members of RLR pathway and investigated their signal transduction a Molluscs. We show that genes involved in RLR pathway were significantly induced during virus challenge, including CgRIG-I-1, CgMAVS, CgTRAF6 (TNF receptor-associated factor 6), and CgIRFs (interferon regulatory factors. Similar to human RIG-I, oyster RIG-I-1 could bind poly(I:C) directly in vitro and interact with oyster MAVS via its caspase activation and recruitment domains. We also show that transmembrane domain-dependent self-association of CgMAVS may be crucial for its signalling and that CgMAVS can recruit the downstream signalling molecule, TRAF6, which can subsequently activate NF-κB signal pathway. Moreover, oyster IRFs appeared to function downstream of CgMAVS and were able to activate the interferon β promoter and interferon stimulated response elements in mammalian cells. These results establish invertebrate MAVS-dependent RLR signalling for the first time and would be helpful for deciphering the antiviral mechanisms of invertebrates and understanding the development of the vertebrate RLR network.
Bacterial diversity among four healthcare-associated institutes in Taiwan
Authors: Chen Chang-Hua , Lin Yaw-Ling , Chen Kuan-Hsueh , Chen Wen-Pei , Chen Zhao-Feng , Kuo Han-Yueh , Hung Hsueh-Fen , Tang Chuan Yi , Liou Ming-Li
Published: August 2017

Indoor microbial communities have important implications for human health, especially in health-care institutes (HCIs). The factors that determine the diversity and composition of microbiomes in a built environment remain unclear. Herein, we used 16S rRNA amplicon sequencing to investigate the relationships between building attributes and surface bacterial communities among four HCIs located in three buildings. We examined the surface bacterial communities and environmental parameters in the buildings supplied with different ventilation types and compared the results using a Dirichlet multinomial mixture (DMM)-based approach. A total of 203 samples from the four HCIs were analyzed. Four bacterial communities were grouped using the DMM-based approach, which were highly similar to those in the 4 HCIs. The α-diversity and β-diversity in the naturally ventilated building were different from the conditioner-ventilated building. The bacterial source composition varied across each building. Nine genera were found as the core microbiota shared by all the areas, of which Acinetobacter, Enterobacter, Pseudomonas, and Staphylococcus are regarded as healthcare-associated pathogens (HAPs). The observed relationship between environmental parameters such as core microbiota and surface bacterial diversity suggests that we might manage indoor environments by creating new sanitation protocols, adjusting the ventilation design, and further understanding the transmission routes of HAPs.