bluuebunny/crossref_metadata_2025 huggingface dataset:
Exploring the topological sources of robustness against invasion in biological and technological networks
Authors: Alcalde Cuesta Fernando , González Sequeiros Pablo , Lozano Rojo Álvaro
Published: February 2016

For a network, the accomplishment of its functions despite perturbations is called robustness. Although this property has been extensively studied, in most cases, the network is modified by removing nodes. In our approach, it is no longer perturbed by site percolation, but evolves after site invasion. The process transforming resident/healthy nodes into invader/mutant/diseased nodes is described by the Moran model. We explore the sources of robustness (or its counterpart, the propensity to spread favourable innovations) of the US high-voltage power grid network, the Internet2 academic network, and the C. elegans connectome. We compare them to three modular and non-modular benchmark networks, and samples of one thousand random networks with the same degree distribution. It is found that, contrary to what happens with networks of small order, fixation probability and robustness are poorly correlated with most of standard statistics, but they depend strongly on the degree distribution. While community detection techniques are able to detect the existence of a central core in Internet2, they are not effective in detecting hierarchical structures whose topological complexity arises from the repetition of a few rules. Box counting dimension and Rent’s rule are applied to show a subtle trade-off between topological and wiring complexity.
Deterministic error correction for nonlocal spatial-polarization hyperentanglement
Authors: Li Tao , Wang Guan-Yu , Deng Fu-Guo , Long Gui-Lu
Published: February 2016

Hyperentanglement is an effective quantum source for quantum communication network due to its high capacity, low loss rate and its unusual character in teleportation of quantum particle fully. Here we present a deterministic error-correction scheme for nonlocal spatial-polarization hyperentangled photon pairs over collective-noise channels. In our scheme, the spatial-polarization hyperentanglement is first encoded into a spatial-defined time-bin entanglement with identical polarization before it is transmitted over collective-noise channels, which leads to the error rejection of the spatial entanglement during the transmission. The polarization noise affecting the polarization entanglement can be corrected with a proper one-step decoding procedure. The two parties in quantum communication can, in principle, obtain a nonlocal maximally entangled spatial-polarization hyperentanglement in a deterministic way, which makes our protocol more convenient than others in long-distance quantum communication.
Prediction of Immunomodulatory potential of an RNA sequence for designing non-toxic siRNAs and RNA-based vaccine adjuvants
Authors: Chaudhary Kumardeep , Nagpal Gandharva , Dhanda Sandeep Kumar , Raghava Gajendra P. S.
Published: February 2016

Our innate immune system recognizes a foreign RNA sequence of a pathogen and activates the immune system to eliminate the pathogen from our body. This immunomodulatory potential of RNA can be used to design RNA-based immunotherapy and vaccine adjuvants. In case of siRNA-based therapy, the immunomodulatory effect of an RNA sequence is unwanted as it may cause immunotoxicity. Thus, we developed a method for designing a single-stranded RNA (ssRNA) sequence with desired immunomodulatory potentials, for designing RNA-based therapeutics, immunotherapy and vaccine adjuvants. The dataset used for training and testing our models consists of 602 experimentally verified immunomodulatory oligoribonucleotides (IMORNs) that are ssRNA sequences of length 17 to 27 nucleotides and 520 circulating miRNAs as non-immunomodulatory sequences. We developed prediction models using various features that include composition-based features, binary profile, selected features and hybrid features. All models were evaluated using five-fold cross-validation and external validation techniques; achieving a maximum mean Matthews Correlation Coefficient (MCC) of 0.86 with 93% accuracy. We identified motifs using MERCI software and observed the abundance of adenine (A) in motifs. Based on the above study, we developed a web server, imRNA, comprising of various modules important for designing RNA-based therapeutics (http://crdd.osdd.net/raghava/imrna/).
Tumour-induced neoneurogenesis and perineural tumour growth: a mathematical approach
Authors: Lolas Georgios , Bianchi Arianna , Syrigos Konstantinos N.
Published: February 2016

It is well-known that tumours induce the formation of a lymphatic and a blood vasculature around themselves. A similar but far less studied process occurs in relation to the nervous system and is referred to as neoneurogenesis. The relationship between tumour progression and the nervous system is still poorly understood and is likely to involve a multitude of factors. It is therefore relevant to study tumour-nerve interactions through mathematical modelling: this may reveal the most significant factors of the plethora of interacting elements regulating neoneurogenesis. The present work is a first attempt to model the neurobiological aspect of cancer development through a system of differential equations. The model confirms the experimental observations that a tumour is able to promote nerve formation/elongation around itself, and that high levels of nerve growth factor and axon guidance molecules are recorded in the presence of a tumour. Our results also reflect the observation that high stress levels (represented by higher norepinephrine release by sympathetic nerves) contribute to tumour development and spread, indicating a mutually beneficial relationship between tumour cells and neurons. The model predictions suggest novel therapeutic strategies, aimed at blocking the stress effects on tumour growth and dissemination.
Quorum sensing activity of Citrobacter amalonaticus L8A, a bacterium isolated from dental plaque
Authors: Goh Share-Yuan , Khan Saad Ahmed , Tee Kok Keng , Abu Kasim Noor Hayaty , Yin Wai-Fong , Chan Kok-Gan
Published: February 2016

Cell-cell communication is also known as quorum sensing (QS) that happens in the bacterial cells with the aim to regulate their genes expression in response to increased cell density. In this study, a bacterium (L8A) isolated from dental plaque biofilm was identified as Citrobacter amalonaticus by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry (MS). Its N-acylhomoserine-lactone (AHL) production was screened by using two types of AHL biosensors namely Chromobacterium violaceum CV026 and Escherichia coli [pSB401]. Citrobacter amalonaticus strain L8A was identified and confirmed producing numerous types of AHL namely N-butyryl-L-homoserine lactone (C4-HSL), N-hexanoyl-L-homoserine lactone (C6-HSL), N-octanoyl-L-homoserine lactone (C8-HSL) and N-hexadecanoyl-L-homoserine lactone (C16-HSL). We performed the whole genome sequence analysis of this oral isolate where its genome sequence reveals the presence of QS signal synthase gene and our work will pave the ways to study the function of the related QS genes in this bacterium.
The role of Xpert MTB/RIF in diagnosing pulmonary tuberculosis in post-mortem tissues
Authors: García-Basteiro Alberto L. , Ismail Mamudo R. , Carrilho Carla , Ussene Esperança , Castillo Paola , Chitsungo Dércio , Rodríguez Cristina , Lovane Lucília , Vergara Andrea , López-Varela Elisa , Mandomando Inacio , Lorenzoni Cesaltina , Ordi Jaume , Menéndez Clara , Bassat Quique , Martínez Miguel J.
Published: February 2016

The extent to which the Xpert MTB/RIF (Gene Xpert) contributes to tuberculosis (TB) diagnosis in samples other than sputum and cerebrospinal fluid remains uncertain. We aimed to assess the role of Xpert MTB/RIF for detecting M. tuberculosis in post-mortem tissues. We conducted a study among 30 complete diagnostic autopsies (CDA) performed at the Maputo Central Hospital (Mozambique). Lung tissues were screened for TB in all cases. In addition other tissues were tested when compatible lesions were identified in the histological exam. We used in-house real time PCR and LAMP assays to confirm the presence of M. tuberculosis DNA. The diagnosis of tuberculosis at death was established based on microbiological and histopathological results. Eight out of 30 cases (26.7%) were diagnosed of tuberculosis. Xpert had a sensitivity to detect TB in lung tissue of 87.5% (95% CI 47.3–99.7) and a specificity of 95.7% (95% CI: 78.1–99.9). In-house DNA amplification methods and Xpert showed 93.6% concordance for lung tissue and 100% concordance for brain and liver tissues. The final cause of death was attributable to tuberculosis in four cases. Xpert MTB/RIF may represent a valuable, easy-to perform technique for post-mortem TB diagnosis.
Add-on unidirectional elastic metamaterial plate cloak
Authors: Lee Min Kyung , Kim Yoon Young
Published: February 2016

Metamaterial cloaks control the propagation of waves to make an object invisible or insensible. To manipulate elastic waves in space, a metamaterial cloak is typically embedded in a base system that includes or surrounds a target object. The embedding is undesirable because it structurally weakens or permanently alters the base system. In this study, we propose a new add-on metamaterial elastic cloak that can be placed over and mechanically coupled with a base structure without embedding. We designed an add-on type annular metamaterial plate cloak through conformal mapping, fabricated it and performed cloaking experiments in a thin-plate with a hole. Experiments were performed in a thin plate by using the lowest symmetric Lamb wave centered at 100 kHz. As a means to check the cloaking performance of the add-on elastic plate cloak, possibly as a temporary stress reliever or a so-called “stress bandage”, the degree of stress concentration mitigation and the recovery from the perturbed wave field due to a hole were investigated.
Determination of Scrub typhus Suggests a New Epidemic Focus in the Anhui Province of China
Authors: Cao Min , Che Li , Zhang Jinhai , Hu Jianli , Srinivas Swaminath , Xu Ruiyao , Guo Henbing , Zhang Yun , Wang Changjun , Feng Youjun
Published: February 2016

In 2007, 19 cases of a scrub typhus epidemic occurred within a week at a sports school in Mingguang County, Anhui Province, where no previous incidence of this mite borne disease had been reported. Sero-surveillance in 2009 indicated that 10 of the 100 school students possessed anti-Orientia tsutsugamushi antibodies. From 2009 to 2013, 60 small animals and 2250 mites were collected in the vicinity of the school. 5 of the Apodemus agrarius samples and 1 group of Leptotrombidium linhuaikongense tested positive via PCR for O. tsutsugamushi. Two strains of O. tsutsugamushi were identified by injecting Kun Ming (KM) mice peritoneally with the organs of either Apodemus agrarius or Leptotrombidium linhuaikongense. Apart from sharing 98% homology with the O. tsutsugamushi Yongworl strain, genes encoding the membrane protein from the two O. tsutsugamushi isolates shared >99% sequence homology with each other, reflecting the consistency of the pathogen in both the vector and the host. In addition, we also characterized a chronic scrub typhus infection in a local patient. The membrane protein gene fragment from the patient’s blood shared 99% homology with O. tsutsugamushi Gilliam strain, suggesting that more than one O. tsutsugamushi strain is present at this location.
Near-field engineering of Fano resonances in a plasmonic assembly for maximizing CARS enhancements
Authors: He Jinna , Fan Chunzhen , Ding Pei , Zhu Shuangmei , Liang Erjun
Published: February 2016

Surface enhanced coherent anti-Stokes Raman scattering (SECARS) is a sensitive tool and promising for single molecular detection and chemical selective imaging. However, the enhancement factors (EF) were only 10~100 for colloidal silver and gold nanoparticles usually used as SECARS substrates. In this paper, we present a design of SECARS substrate consisting of three asymmetric gold disks and strategies for maximizing the EF by engineering near-field properties of the plasmonic Fano nanoassembly. It is found that the E-field “hot spots” corresponding to three different frequencies involved in SECARS process can be brought to the same spatial locations by tuning incident orientations, giving rise to highly confined SECARS “hot spots” with the EF reaching single-molecule sensitivity. Besides, an even higher EF of SECARS is achieved by introducing double Fano resonances in this plasmonic nanoassembly via further enlarging the sizes of the constituent disks. These findings put an important step forward to the plasmonic substrate design for SECARS as well as for other nonlinear optical processes.
Ankyrin Repeat Domain 1 is Up-regulated During Hepatitis C Virus Infection and Regulates Hepatitis C Virus Entry
Authors: Than Thoa T. , Tran Giao V. Q. , Son Kidong , Park Eun-Mee , Kim Seungtaek , Lim Yun-Sook , Hwang Soon B.
Published: February 2016

Hepatitis C virus (HCV) is highly dependent on host proteins for its own propagation. By transcriptome sequencing (RNA-Seq) analysis, we identified 30 host genes that were significantly differentially expressed in cell culture-grown HCV (HCVcc)-infected cells. Of these candidate genes, we selected and characterized ankyrin repeat domain 1 (ANKRD1). Here, we showed that protein expression of ANKRD1 was up-regulated in HCVcc-infected cells. We further showed that protein expression level of ANKRD1 was increased by nonstructural 5A (NS5A) protein. ANKRD1 specifically interacted with NS5A both in vitro and coimmunoprecipitation assays. Protein interaction was mediated through the domain II of NS5A and the C-terminal region of ANKRD1. Promoter activity of ANKRD1 was also increased by NS5A protein. Moreover, up-regulation of ANKRD1 expression was mediated through alteration in intracellular calcium homeostasis and ER stress in HCVcc-infected cells. We showed that silencing of ANKRD1 impaired HCV propagation without affecting HCV replication. By using HCV-like infectious particle (HCV-LP), we demonstrated that HCV single-cycle infection was drastically impaired in ANKRD1 knockdown cells. Finally, we verified that ANKRD1 was required for HCV entry. These data suggest that HCV coopts ANKRD1 for its own propagation and up-regulation of ANKRD1 may contribute to HCV-mediated liver pathogenesis.
Luminescence- and nanoparticle-mediated increase of light absorption by photoreceptor cells: Converting UV light to visible light
Authors: Li Lei , Sahi Sunil K. , Peng Mingying , Lee Eric B. , Ma Lun , Wojtowicz Jennifer L. , Malin John H. , Chen Wei
Published: February 2016

We developed new optic devices – singly-doped luminescence glasses and nanoparticle-coated lenses that convert UV light to visible light – for improvement of visual system functions. Tb3+ or Eu3+ singly-doped borate glasses or CdS-quantum dot (CdS-QD) coated lenses efficiently convert UV light to 542 nm or 613 nm wavelength narrow-band green or red light, or wide-spectrum white light and thereby provide extra visible light to the eye. In zebrafish (wild-type larvae and adult control animals, retinal degeneration mutants and light-induced photoreceptor cell degeneration models), the use of Tb3+ or Eu3+ doped luminescence glass or CdS-QD coated glass lenses provide additional visible light to the rod and cone photoreceptor cells and thereby improve the visual system functions. The data provide proof-of-concept for the future development of optic devices for improvement of visual system functions in patients who suffer from photoreceptor cell degeneration or related retinal diseases.
Associations of 6p21.3 Region with Age-related Macular Degeneration and Polypoidal Choroidal Vasculopathy
Authors: Ye Zimeng , Shuai Ping , Zhai Yaru , Li Fang , Jiang Lingxi , Lu Fang , Wen Feng , Huang Lulin , Zhang Dingding , Liu Xiaoqi , Lin Ying , Luo Huaichao , Zhang Houbin , Zhu Xianjun , Wu Zhengzheng , Yang Zhenglin , Gong Bo , Shi Yi
Published: February 2016

Neovascular age-related macular degeneration (AMD) and polypoidal choroidal vasculopathy (PCV) are leading causes of blindness in aging populations. This study was conducted to investigate the associations of chromosome 6p21.3 region, includingCFB-SKIV2L-TNXB-FKBPL-NOTCH4genes, with both neovascular AMD and PCV. Six single nucleotide polymorphisms (SNPs) in this region and two known AMD-associated SNPs inCFH(rs800292) andHTRA1(rs11200638) were genotyped in a Han Chinese cohort composed of 490 neovascular AMD patients, 419 PCV patients and 1316 controls. Among the SNPs,TNXBrs12153855 andFKBPLrs9391734 conferred an increased susceptibility to neovascular AMD (P = 2.8 × 10−4and 0.001, OR = 1.80 and 1.76, respectively), whileSKIV2Lexerted a protective effect on neovascular AMD (P = 2.2 × 10−4, OR = 0.49). Rs12153855C and rs9391734A alleles could further increase the susceptibility to AMD in subjects with rs800292, rs11200638 and rs429608 risk alleles. However, only the association ofSKIV2Lrs429608 remained significant after adjusting for rs800292, rs11200638 and the other 5 SNPs. The protective haplotype AATGAG exhibited significant association with neovascular AMD (permutationP = 0.015, OR = 0.34). None of the SNPs in this region was associated with PCV. Association profiles of 6p21.3 region showed discrepancy between neovascular AMD and PCV, indicating possible molecular and pathological differences between these two retinal disorders.
Co-transfection of decorin and interleukin-10 modulates pro-fibrotic extracellular matrix gene expression in human tenocyte culture
Authors: Abbah Sunny A. , Thomas Dilip , Browne Shane , O’Brien Timothy , Pandit Abhay , Zeugolis Dimitrios I.
Published: February 2016

Extracellular matrix synthesis and remodelling are driven by increased activity of transforming growth factor beta 1 (TGF-β1). In tendon tissue repair, increased activity of TGF-β1 leads to progressive fibrosis. Decorin (DCN) and interleukin 10 (IL-10) antagonise pathological collagen synthesis by exerting a neutralising effect via downregulation of TGF-β1. Herein, we report that the delivery of DCN and IL-10 transgenes from a collagen hydrogel system supresses the constitutive expression of TGF-β1 and a range of pro-fibrotic extracellular matrix genes.
Defining Core and Penumbra in Ischemic Stroke: A Voxel- and Volume-Based Analysis of Whole Brain CT Perfusion
Authors: Yu Yannan , Han Quan , Ding Xinfa , Chen Qingmeng , Ye Keqi , Zhang Sheng , Yan Shenqiang , Campbell Bruce C. V. , Parsons Mark W. , Wang Shaoshi , Lou Min
Published: February 2016

Whole brain computed tomography perfusion (CTP) has the potential to select eligible patients for reperfusion therapy. We aimed to find the optimal thresholds on baseline CTP for ischemic core and penumbra in acute ischemic stroke. We reviewed patients with acute ischemic stroke in the anterior circulation, who underwent baseline whole brain CTP, followed by intravenous thrombolysis and perfusion imaging at 24 hours. Patients were divided into those with major reperfusion (to define the ischemic core) and minimal reperfusion (to define the extent of penumbra). Receiver operating characteristic (ROC) analysis and volumetric consistency analysis were performed separately to determine the optimal threshold by Youden’s Index and mean magnitude of volume difference, respectively. From a series of 103 patients, 22 patients with minimal-reperfusion and 47 with major reperfusion were included. Analysis revealed delay time ≥ 3 s most accurately defined penumbra (AUC = 0.813; 95% CI, 0.812-0.814, mean magnitude of volume difference = 29.1 ml). The optimal threshold for ischemic core was rCBF ≤ 30% within delay time ≥ 3 s (AUC = 0.758; 95% CI, 0.757-0.760, mean magnitude of volume difference = 10.8 ml). In conclusion, delay time ≥ 3 s and rCBF ≤ 30% within delay time ≥ 3 s are the optimal thresholds for penumbra and core, respectively. These results may allow the application of the mismatch on CTP to reperfusion therapy.
Retrogradation enthalpy does not always reflect the retrogradation behavior of gelatinized starch
Authors: Wang Shujun , Li Caili , Zhang Xiu , Copeland Les , Wang Shuo
Published: February 2016

Starch retrogradation is a term used to define the process in which gelatinized starch undergoes a disorder-to-order transition. A thorough understanding of starch retrogradation behavior plays an important role in maintaining the quality of starchy foods during storage. By means of DSC, we have demonstrated for the first time that at low water contents, the enthalpy change of retrograded starch is higher than that of native starch. In terms of FTIR and Raman spectroscopic results, we showed that the molecular order of reheated retrograded starch samples is lower than that of DSC gelatinized starch. These findings have led us to conclude that enthalpy change of retrograded starch at low water contents involves the melting of recrystallized starch during storage and residual starch crystallites after DSC gelatinization and that the endothermic transition of retrograded starch gels at low water contents does not fully represent the retrogradation behavior of starch. Very low or high water contents do not favor the occurrence of starch retrogradation.
Silicene nanomeshes: bandgap opening by bond symmetry breaking and uniaxial strain
Authors: Jia Tian-Tian , Fan Xin-Yu , Zheng Meng-Meng , Chen Gang
Published: February 2016

Based on the first-principles calculations, we have investigated in detail the bandgap opening of silicene nanomeshes. Different to the mechanism of bandgap opening induced by the sublattice equivalence breaking, the method of degenerate perturbation through breaking the bond symmetry could split the π-like bands in the inversion symmetry preserved silicene nanomeshes, resulting into the πa1 − πa2and πz1 − πz2band sets with sizable energy intervals. Besides the bandgap opening in the nanomeshes with Dirac point being folded to Γ point, the split energy intervals are however apart away from Fermi level to leave the semimetal nature unchanged for the other nanomeshes with Dirac points located at opposite sides of Γ point as opposite pseudo spin wave valleys. A mass bandgap could be then opened at the aid of uniaxial strain to transfer the nanomesh to be semiconducting, whose width could be continuously enlarged until reaching its maximum Emax. Moreover, the Emaxcould also be tuned by controlling the defect density in silicene nanomeshes. These studies could contribute to the understanding of the bandgap engineering of silicene-based nanomaterials to call for further investigations on both theory and experiment.
Suhuang antitussive capsule at lower doses attenuates airway hyperresponsiveness, inflammation and remodeling in a murine model of chronic asthma
Authors: Zhang Chao , Zhang Lan-Hong , Wu Yin-Fang , Lai Tian-Wen , Wang Hai-Sheng , Xiao Hui , Che Luan-Qing , Ying Song-Min , Li Wen , Chen Zhi-Hua , Shen Hua-Hao
Published: February 2016

Suhuang antitussive capsule (Suhuang), a traditional Chinese medication, is found effective in treating chronic cough and cough variant asthma (CVA). This study aimed to determine the possible effects and underlying mechanisms of Suhuang on chronic ovalbumin (OVA)-induced airway hyperresponsiveness (AHR), inflammation and remodeling in mice. Mice were randomly assigned to six experimental groups: control, OVA model with or without Suhuang (low dose: 3.5 g/kg, middle dose: 7.0 g/kg, high dose: 14.0 g/kg), or dexamethasone (2.5 mg/kg). AHR, inflammatory cells, cytokines in bronchoalveolar lavage fluid (BALF), lung pathology, mucus production and airway remodeling were examined. We found Suhuang treated at lower doses effectively inhibited OVA-induced AHR, airway inflammation, mucus production and collagen deposition around the airway. High dose of Suhuang reduced most of the inflammatory hallmarks while exerted inconsiderable effects on the number of macrophages in BALF and AHR. At all doses, Suhuang significantly reduced the levels of interlukin (IL) -13 and transforming growth factor (TGF)-β1, but had little effects on IL-4, IL-5, IL-17A and interferon (IFN)-γ. Thus, Suhuang administration alleviates the pathological changes of chronic asthma likely through inhibition of IL-13 and TGF-β1. Suhuang might be a promising therapy for patients with allergic asthma in the future.
Effects of Current-injection Firing with Ag Paste in a Boron Emitter
Authors: Kim Chanseok , Choi Jae-Wook , Choi Sungjin , Kim Soomin , Park Hyomin , Song Hee-eun , Yoon Sam S. , Huh Joo-Youl , Kang Yoonmook , Lee Hae-Seok , Kim Donghwan
Published: February 2016

A high contact resistance for screen-printed contacts was observed when a conventional Ag paste was used on a boron emitter. The results of this study suggest that electron injection during firing is one of the processes that contribute to a lower contact resistance. Larger quantities of Ag precipitates formed upon electron injection into the boron emitter, which was confirmed by observing Ag crystallite or dendrite structures on the boron and by measuring the contact resistance between the boron emitter and the Ag bulk. The electron-injected sample had approximately 10000 times lower contact resistance than an untreated sample. The contact resistance of the electron-injected sample was 0.021 mΩ∙cm2 under optimal conditions, which is lower than that of conventional p-type silicon solar cells. Thus, electron injection can effectively lower contact resistance when using Ag paste in n-type silicon solar cells. During the cooling in the firing process, dissolved Ag ions in the glass layer are formed as dendrites or crystallites/particles. The dendrites are formed earlier than others via electrochemical migration under electron injection conditions. Then, crystallites and particles are formed via a silicon etching reaction. Thus, Ag ions that are not formed as dendrites will form as crystallites or particles.
Surface enhanced Raman spectroscopic direct determination of low molecular weight biothiols in umbilical cord whole blood
Authors: Kuligowski Julia , EL-Zahry Marwa R. , Sánchez-Illana Ángel , Quintás Guillermo , Vento Máximo , Lendl Bernhard
Published: February 2016

Biothiols are determined in whole blood samples by Surface Enhanced Raman Spectroscopy (SERS).
2-(1-Pyrenyl) benzimidazole as a ratiometric and “turn-on” fluorescent probe for iron(iii) ions in aqueous solution
Authors: Zhao Meili , Deng Zhifu , Tang Jian , Zhou Xiufen , Chen Zhi , Li Xutian , Yang Liting , Ma Li-Jun
Published: February 2016

A fluorescent probe for Fe3+, 2-(1-pyrenyl) benzimidazole (L), was synthesized. In aqueous solution, L shows a highly selective and sensitive ratiometric probe for Fe3+ in emission spectra, and it can also be used as a fluorescent “turn-on” probe for Fe3+ in excitation spectra.
Chemical fragment arrays for rapid druggability assessment
Authors: Aretz J. , Kondoh Y. , Honda K. , Anumala U. R. , Nazaré M. , Watanabe N. , Osada H. , Rademacher C.
Published: February 2016

Incorporation of early druggability assessment in the drug discovery process provides a means to prioritize target proteins for high-throughput screening.
Aerobic oxidative cyclization of benzamides via meta-selective C–H tert-alkylation: rapid entry to 7-alkylated isoquinolinediones
Authors: Tang Shi , Deng You-Lin , Li Jie , Wang Wen-Xin , Wang Ying-Chun , Li Zeng-Zeng , Yuan Li , Chen Shi-Lu , Sheng Rui-Long
Published: February 2016

A novel copper-catalyzed aerobic oxidative cyclization of benzamides via meta-selective tert-alkylation using AIBN and analogues as radical precursors was described.
Beyond ketonization: selective conversion of carboxylic acids to olefins over balanced Lewis acid–base pairs
Authors: Baylon Rebecca A. L. , Sun Junming , Martin Kevin J. , Venkitasubramanian Padmesh , Wang Yong
Published: February 2016

Balanced Lewis acid–base pairs can achieve cascade (cross) ketonization, (cross) aldolization, and self-deoxygenation reactions, converting carboxylic acids to C=3–C=6 olefins.
Effect of doping β-NiOOH with Co on the catalytic oxidation of water: DFT+U calculations
Authors: Costanzo Francesca
Published: February 2016

Electrocatalytic water splitting using energy from sunlight represents a promising strategy for clean, low-cost, and environmentally friendly production of H2.
In vivo degeneration and the fate of inorganic nanoparticles
Authors: Feliu Neus , Docter Dominic , Heine Markus , del Pino Pablo , Ashraf Sumaira , Kolosnjaj-Tabi Jelena , Macchiarini Paolo , Nielsen Peter , Alloyeau Damien , Gazeau Florence , Stauber Roland H. , Parak Wolfgang J.
Published: February 2016

Nanoparticles comprise of a core, a surface coating, and a corona of adsorbed biomolecules, of which all parts can have a different fate.
Multilayered film microreactors fabricated by a one-step thermal bonding technique with high reproducibility and their applications
Authors: Min Kyoung-Ik , Kim Jin-Oh , Kim Heejin , Im Do Jin , Kim Dong-Pyo
Published: February 2016

We report the versatile uses of multilayered polyimide (PI) film microreactors with various functions including pressure tolerance, three-dimensional mixing and multistep membrane emulsification.
Fabrication and study of optical and electrochemical properties of CdS nanoparticles and the GO–CdS nanocomposite
Authors: Akbarzadeh Raziyeh , Khalili Seyede Sara , Dehghani Hossein
Published: February 2016

CdS NPs and the GO–CdS nanocomposite with excellent optical and electrochemical properties were synthesized using a new method.
Synthesis of heteroleptic terpyridyl complexes of Fe(ii) and Ru(ii): optical and electrochemical studies
Authors: Mondal Prakash Chandra , Manna Arun Kumar
Published: February 2016

Heteroleptic terpyridyl complexes of Fe(ii) and Ru(ii) are synthesized. They are characterized using complimentary techniques and their optical and electrochemical properties are studied. A detailed computational study was also performed.
Intrinsic polarization control in rectangular GaN nanowire lasers
Authors: Li Changyi , Liu Sheng , Luk Ting. S. , Figiel Jeffrey J. , Brener Igal , Brueck S. R. J. , Wang George T.
Published: February 2016

We demonstrate intrinsic, linearly polarized lasing from single GaN nanowires using cross-sectional shape control.
Fracture patterns and the energy release rate of phosphorene
Authors: Liu Ning , Hong Jiawang , Pidaparti Ramana , Wang Xianqiao
Published: February 2016

For phosphorene, the fracture patterns and crack orientation dependence of the energy release rate are different for armchair and zigzag directions, resulting from the puckered structure of phosphorene.
FRET-based cyanine probes for monitoring ligation reactions and their applications to mechanistic studies and catalyst screening
Authors: Herbst E. , Shabat D.
Published: February 2016

This paper presents a modular FRET-based assay to monitor small-scale reactions under aqueous conditions and shows its application to catalyst screening.
A tandem Prins spirocyclization for the stereoselective synthesis of tetrahydrospiro[chroman-2,4′-pyran] derivatives
Authors: Subba Reddy B. V. , Hanuman Reddy V. , Medaboina Durgaprasad , Sridhar B. , Rami Reddy Y. V.
Published: February 2016

A novel cascade process has been developed for the synthesis of tetrahydrospiro[chroman-2,4′-pyran] derivatives by condensation of aldehydes with 2-(5-hydroxy-3-methylenepentyl)phenols using BF3·OEt2 under mild reaction conditions.
Reactivity and mechanistic insight into the cross coupling reaction between isochromans and β-keto esters through C–H bond activation under visible light irradiation
Authors: Xiang Ming , Meng Qing-Yuan , Gao Xue-Wang , Lei Tao , Chen Bin , Tung Chen-Ho , Wu Li-Zhu
Published: February 2016

The formation of a C(sp3)–C(sp3) bond next to an oxygen atom from two different C–H bonds is realized by oxidative photocatalysis.
Effect of dispersant on nano-PTFE based lubricants on tribo-performance in fretting wear mode
Authors: Dubey Mukesh Kumar , Bijwe Jayashree , Ramakumar S. S. V.
Published: February 2016

This work describes the anti-friction (AF) and anti-wear (AW) effects of nano-PTFE-PIBSI (polyisobutylene succinimide) additive interactions in a lubricant system.
Anti-tumor effect of morusin from the branch bark of cultivated mulberry in Bel-7402 cells via the MAPK pathway
Authors: Ding Biao , Lv Yi , Zhang Yu-Qing
Published: February 2016

In this experiment, the morusin separated from the branch bark of cultivated mulberry, an edible medicinal plant, is used to study the inhibition of morusin in the human hepatocellular carcinoma cell line Bel-7402.
Secretion of metal-binding proteins by a newly discovered OsmY homolog in Cupriavidus metallidurans for the biogenic synthesis of metal nanoparticles
Authors: Ouyang Chun-Yu , Lin Yu-Kuan , Tsai Dong-Yu , Yeh Yi-Chun
Published: February 2016

A newly discovered OsmY protein homolog of Cupriavidus metallidurans for use in protein secretion and biogenic synthesis of nanoparticles.
Conversion of SPORL pretreated Douglas fir forest residues into microbial lipids with oleaginous yeasts
Authors: Dien Bruce S. , Zhu J. Y. , Slininger Patricia J. , Kurtzman Cletus P. , Moser Bryan R. , O'Bryan Patricia J. , Gleisner Roland , Cotta Michael A.
Published: February 2016

Sugars were extracted from Douglas fir residues using SPORL pretreatment and cellulases. The sugars were converted to lipids producing a titer of 13.4 g l−1 in 3 d using a 2-stage culture.
A nanotubular coating with both high transparency and healable superhydrophobic self-cleaning properties
Authors: Liu Yu-Peng , Liu Hui-Fen , Feng Yan-Ge , Liu Zhi-Lu , Hu Hai-Yuan , Yu Bo , Zhou Feng , Xue Qun-Ji
Published: February 2016

The article reports a transparent and healable superhydrophobic self-cleaning coating with a nanotubular structure prepared by calcinating silica-coated polyanilinenanofibers.
Porous films by the self-assembly of inorganic rod-b-coil block copolymers: mechanistic insights into the vesicle-to-pore morphological evolution
Authors: Suárez-Suárez Silvia , Carriedo Gabino A. , Presa Soto Alejandro
Published: February 2016

The self-assembly in thin films of polyphosphazene block copolymers combining a rigid ([N = P(O2C12H8)], O2C12H8= 2,2′-dioxy-1,1′-biphenyl) and a flexible ([N = PMePh]) blocks, led to the spontaneous formation of porous films through a vesicle-to-pore morphological evolutions pathway.
Validating heteronuclear 2D quantitative NMR
Authors: Fardus-Reid Fahmina , Warren John , Le Gresley Adam
Published: February 2016

NMR is used extensively for accurate quantitation of simple analytes and can, with careful application, generate SI traceable measurements.
Use of a 4,5-dicyanoimidazolate anion based ionic liquid for the synthesis of iron and silver nanoparticles
Authors: Mondal Suvendu Sekhar , Marquardt Dorothea , Janiak Christoph , Holdt Hans-Jürgen
Published: February 2016

Effects of cation and anion in the resulting ILs are influenced in the thermal transitions. Stable and better separated Fe- and Ag-NPs are obtained in newly designed nitrile functionalized 4,5-dicyanoimidazolate anion based IL.
A study on the conversion of glycerol to pyridine bases over Cu/HZSM-5 catalysts
Authors: Zhang Yuecheng , Yan Xiang , Niu Baoqiang , Zhao Jiquan
Published: February 2016

A copper doped HZSM-5 catalyst showed good performance in the conversion of glycerol to pyridine bases in the presence of ammonia.
A facile strategy for new organic white LED hybrid devices: design, features and engineering
Authors: Luridiana Alberto , Pretta GianLuca , Chiriu Daniele , Carbonaro Carlo Maria , Corpino Riccardo , Secci Francesco , Frongia Angelo , Stagi Luigi , Ricci Pier Carlo
Published: February 2016

A facile and ecofriendly strategy to design and engineer new organic white LEDs is tested.
Rapid design approach of optimal efficiency magnetic resonant wireless power transfer system
Authors: Liu Zhongtao , Zhong Zheng , Guo Yong Xin
Published: February 2016

A rapid design approach to achieve the optimal efficiency in a magnetic resonant wireless power transfer (MR‐WPT) system is presented. A concise design guideline is provided to determine the optimal efficiency condition and related coupling coefficients. Experimental validations are demonstrated by both simulation and measurement results of a 6.78 MHz MR‐WPT system prototype with the maximum efficiency of 76.1% at a 50 mm distance between transmitter and receiver.
Probabilistic method for the operation of three‐phase unbalanced active distribution networks
Authors: Mokryani Geev , Majumdar Ankur , Pal Bikash C.
Published: February 2016

This study proposes a probabilistic multi‐objective optimisation method for the operation of three‐phase distribution networks incorporating active network management (ANM) schemes including coordinated voltage control and adaptive power factor control. The proposed probabilistic method incorporates detailed modelling of three‐phase distribution network components and considers different operational objectives. The method simultaneously minimises the total energy losses of the lines from the point of view of distribution network operators and maximises the energy generated by photovoltaic (PV) cells considering ANM schemes and network constraints. Uncertainties related to intermittent generation of PVs and load demands are modelled by probability density functions (PDFs). Monte Carlo simulation method is employed to use the generated PDFs. The problem is solved using ɛ‐constraint approach and fuzzy satisfying method is used to select the best solution from the Pareto optimal set. The effectiveness of the proposed probabilistic method is demonstrated with IEEE 13‐ and 34‐bus test feeders.
Contribution of material’s surface layer on charge state distribution in laser ablation plasma
Authors: Kumaki Masafumi , Steski Dannie , Ikeda Shunsuke , Kanesue Takeshi , Okamura Masahiro , Washio Masakazu
Published: February 2016

To generate laser ablation plasma, a pulse laser is focused onto a solid target making a crater on the surface. However, not all the evaporated material is efficiently converted to hot plasma. Some portion of the evaporated material could be turned to low temperature plasma or just vapor. To investigate the mechanism, we prepared an aluminum target coated by thin carbon layers. Then, we measured the ablation plasma properties with different carbon thicknesses on the aluminum plate. The results showed that C6+ ions were generated only from the surface layer. The deep layers (over 250 nm from the surface) did not provide high charge state ions. On the other hand, low charge state ions were mainly produced by the deeper layers of the target. Atoms deeper than 1000 nm did not contribute to the ablation plasma formation.
A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism
Authors: Giner E. , David G. , Scemama A. , Malrieu J. P.
Published: February 2016

This paper presents a rigorous state-specific multi-reference coupled cluster formulation of the method first proposed by Meller et al. [J. Chem. Phys. 104, 4068 (1996)]. Guess values of the amplitudes of the single and double excitations (the Tˆ operator) on the top of the references are extracted from the knowledge of the coefficients of the Multi-Reference Singles and Doubles Configuration Interaction (MR-CISD) matrix. The multiple parentage problem is solved by scaling these amplitudes from the interaction between the references and the singles and doubles. Then one proceeds to a dressing of the MR-CISD matrix under the effect of the triples and quadruples, the coefficients of which are estimated from the action of exp(Tˆ). This dressing follows the logic of the intermediate effective Hamiltonian formalism. The dressed MR-CISD matrix is diagonalized and the process is iterated to convergence. As a simplification, the coefficients of the triples and quadruples may in practice be calculated from the action of Tˆ2 only, introducing 5th-order differences in the energies. The so-simplified method is tested on a series of benchmark systems from Complete Active Spaces (CASs) involving 2–6 active electrons up to bond breakings. The comparison with full configuration interaction results shows that the errors are of the order of a few millihartree, five times smaller than those of the CAS-CISD, and the deviation to strict separability is lower than 10 μ hartree. The method is totally uncontracted, parallelizable, and extremely flexible since it may be applied to selected MR and/or selected CISD. Some potential generalizations are briefly discussed.
Temperature and high pressure effects on choked flow in the microchannel
Authors: Parahovnik Anatoly , Fraiman Leonid , Rosinsky Israel , Yossifon Gilad
Published: February 2016

We studied the choked flow behavior of gas flow in a single microchannel at inlet pressures of up to 2.2 MPa. Fair agreement was obtained between the basic compressible flow theory, known as Fanno flow, numerical simulations, and experiments for the mass flow rate dependency on the inlet pressure. Investigation of the effect of varying the inlet temperature on the choked flow behavior revealed that the power law scaling of the maximum flow rate on the temperature varies with inlet pressure. This was suggested, using numerical simulations, to be a result of heat loss to the environment.
Surfactant-induced core/shell phase equilibrium in hydrogels
Authors: Gernandt J. , Hansson P.
Published: February 2016

The formation of core/shell structures in hydrogels upon interaction with surfactants is a well-known phenomenon, but whether they are equilibrium states or not is still under debate. This paper presents an equilibrium theory of phase coexistence in hydrogels meant to answer the question of the stability of core/shell separation. The theory suggests that core/shell separation caused by surfactants can indeed be thermodynamically stable if the amount of added surfactant is not too large, but that the exact phase behaviour is governed by both the volume and concentration of the added surfactant solution.
Thermal conductivity of Glycerol’s liquid, glass, and crystal states, glass-liquid-glass transition, and crystallization at high pressures
Authors: Andersson Ove , Johari G. P.
Published: February 2016

To investigate the effects of local density fluctuations on phonon propagation in a hydrogen bonded structure, we studied the thermal conductivity κ of the crystal, liquid, and glassy states of pure glycerol as a function of the temperature, T, and the pressure, p. We find that the following: (i) κcrystal is 3.6-times the κliquid value at 140 K at 0.1 MPa and 2.2-times at 290 K, and it varies with T according to 138 × T−0.95; (ii) the ratio κliquid (p)/κliquid (0.1 MPa) is 1.45 GPa−1 at 280 K, which, unexpectedly, is about the same as κcrystal (p)/κcrystal (0.1 MPa) of 1.42 GPa−1 at 298 K; (iii) κglass is relatively insensitive to T but sensitive to the applied p (1.38 GPa−1 at 150 K); (iv) κglass-T plots show an enhanced, pressure-dependent peak-like feature, which is due to the glass to liquid transition on heating; (v) continuous heating cold-crystallizes ultraviscous glycerol under pressure, at a higher T when p is high; and (vi) glycerol formed by cooling at a high p and then measured at a low p has a significantly higher κ than the glass formed by cooling at a low p. On heating at a fixed low p, its κ decreases before its glass-liquid transition range at that p is reached. We attribute this effect to thermally assisted loss of the configurational and vibrational instabilities of a glass formed at high p and recovered at low p, which is different from the usual glass-aging effect. While the heat capacity, entropy, and volume of glycerol crystal are less than those for its glass and liquid, κcrystal of glycerol, like its elastic modulus and refractive index, is higher. We discuss these findings in terms of the role of fluctuations in local density and structure, and the relations between κ and the thermodynamic quantities.
Acoustic metasurface-based perfect absorber with deep subwavelength thickness
Authors: Li Yong , Assouar Badreddine M.
Published: February 2016

Conventional acoustic absorbers are used to have a structure with a thickness comparable to the working wavelength, resulting in major obstacles in real applications in low frequency range. We present a metasurface-based perfect absorber capable of achieving the total absorption of acoustic wave in an extremely low frequency region. The metasurface possessing a deep subwavelength thickness down to a feature size of ∼λ/223 is composed of a perforated plate and a coiled coplanar air chamber. Simulations based on fully coupled acoustic with thermodynamic equations and theoretical impedance analysis are utilized to reveal the underlying physics and the acoustic performances, showing an excellent agreement. Our realization should have an high impact on amount of applications due to the extremely thin thickness, easy fabrication, and high efficiency of the proposed structure.
Exciton dynamics and non-linearities in two-dimensional hybrid organic perovskites
Authors: Abdel-Baki K. , Boitier F. , Diab H. , Lanty G. , Jemli K. , Lédée F. , Garrot D. , Deleporte E. , Lauret J. S.
Published: February 2016

Due to their high potentiality for photovoltaic applications or coherent light sources, a renewed interest in hybrid organic perovskites has emerged for few years. When they are arranged in two dimensions, these materials can be considered as hybrid quantum wells. One consequence of the unique structure of 2D hybrid organic perovskites is a huge exciton binding energy that can be tailored through chemical engineering. We present experimental investigations of the exciton non-linearities by means of femtosecond pump-probe spectroscopy. The exciton dynamics is fitted with a bi-exponential decay with a free exciton life-time of ∼100 ps. Moreover, an ultrafast intraband relaxation (<150 fs) is also reported. Finally, the transient modification of the excitonic line is analyzed through the moment analysis and described in terms of reduction of the oscillator strength and linewidth broadening. We show that excitonic non-linearities in 2D hybrid organic perovskites share some behaviours of inorganic semiconductors despite their high exciton binding energy.