bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phase controlled SERS enhancement
Authors: Zheng Yuanhui , Rosa Lorenzo , Thai Thibaut , Ng Soon Hock , Juodkazis Saulius , Bach Udo 
Published: January 2019

AbstractSurface-enhanced Raman spectroscopy (SERS) has attracted increasing interest for chemical and biochemical sensing. Several studies have shown that SERS intensities are significantly increased when an optical interference substrate composed of a dielectric spacer and a reflector is used as a supporting substrate. However, the origin of this additional enhancement has not been systematically studied. In this paper, high sensitivity SERS substrates composed of self-assembled core-satellite nanostructures and silica-coated silicon interference layers have been developed. Their SERS enhancement is shown to be a function of the thickness of silica spacer on a more reflective silicon substrate. Finite difference time domain modeling is presented to show that the SERS enhancement is due to a spacer contribution via a sign change of the reflection coefficients at the interfaces. The magnitude of the local-field enhancement is defined by the interference of light reflected from the silica-air and silica-silicon interfaces, which constructively added at the hot spots providing a possibility to maximize intensity in the nanogaps between the self-assembled nanoparticles by changing the thickness of silica layer. The core-satellite assemblies on a 135 nm silica-coated silicon substrate exhibit a SERS activity of approximately 13 times higher than the glass substrate.
Enhanced Bell state measurement for efficient measurement-device-independent quantum key distribution using 3-dimensional quantum states
Authors: Jo Yonggi , Bae Kwangil , Son Wonmin 
Published: January 2019

AbstractWe propose an enhanced discrimination measurement for tripartite 3-dimensional entangled states in order to improve the discernible number of orthogonal entangled states. The scheme suggests 3-dimensional Bell state measurement by exploiting composite two 3-dimensional state measurement setups. The setup relies on state-of-the-art techniques, a multi-port interferometer and nondestructive photon number measurements that are used for the post-selection of suitable ensembles. With this scheme, the sifted signal rate of measurement-device-independent quantum key distribution using 3-dimensional quantum states is improved by up to a factor of three compared with that of the best existing setup.
Terrestrial locomotion energy costs vary considerably between species: no evidence that this is explained by rate of leg force production or ecology
Authors: Halsey Lewis G. , White Craig R. 
Published: January 2019

AbstractInter-specifically, relative energy costs of terrestrial transport vary several-fold. Many pair-wise differences of locomotor costs between similarly-sized species are considerable, and are yet to be explained by morphology or gait kinematics. Foot contact time, a proxy for rate of force production, is a strong predictor of locomotor energy costs across species of different size and might predict variability between similarly sized species. We tested for a relationship between foot contact time and metabolic rate during locomotion from published data. We investigated the phylogenetic correlation between energy expenditure rate and foot contact time, conditioned on fixed effects of mass and speed. Foot contact time does not explain variance in rate of energy expenditure during locomotion, once speed and body size are accounted for. Thus, perhaps surprisingly, inter-specific differences in the mass-independent net cost of terrestrial transport (NCOT) are not explained by rates of force production. We also tested for relationships between locomotor energy costs and eco-physiological variables. NCOT did not relate to any of the tested eco-physiological variables; we thus conclude either that interspecific differences in transport cost have no influence on macroecological and macrophysiological patterns, or that NCOT is a poor indicator of animal energy expenditure beyond the treadmill.
Simulating the NaK Eutectic Alloy with Monte Carlo and Machine Learning
Authors: Reitz Douglas M. , Blaisten-Barojas Estela 
Published: January 2019

AbstractCombining atomistic simulations and machine learning techniques can expedite significantly the materials discovery process. We present an application of such methodological combination for the prediction of the melting transition and amorphous-solid behavior of the NaK alloy at the eutectic concentration. We show that efficient prediction of these properties is possible via machine learning methods trained on the topological local structural properties. The configurations resulting from Monte Carlo annealing of the NaK eutectic alloy are analyzed with topological attributes based on the Voronoi tessellation and using expectation-maximization clustering and Random Forest classification. We show that the Voronoi topological fingerprints make an accurate and fast prediction of the alloy thermal behavior by cataloguing the atomic configurations into three distinct phases: liquid, amorphous solid, and crystalline solid. Melting is found at 230 K by the sharp split of configurations classified as crystalline solid and as liquid. With the proposed metrics, an arrest-motion temperature is identified at 130–140 K through a top down clustering of the atomic configurations catalogued as amorphous solid. This statistical learning paradigm is not restricted to eutectic alloys or thermodynamics, extends the utility of topological attributes in a significant way, and harnesses the discovery of new material properties.
Directional sub-femtosecond charge transfer dynamics and the dimensionality of 1T-TaS2
Authors: Kühn Danilo , Müller Moritz , Sorgenfrei Florian , Giangrisostomi Erika , Jay Raphael M. , Ovsyannikov Ruslan , Mårtensson Nils , Sánchez-Portal Daniel , Föhlisch Alexander 
Published: January 2019

AbstractFor the layered transition metal dichalcogenide 1T-TaS2, we establish through a unique experimental approach and density functional theory, how ultrafast charge transfer in 1T-TaS2 takes on isotropic three-dimensional character or anisotropic two-dimensional character, depending on the commensurability of the charge density wave phases of 1T-TaS2. The X-ray spectroscopic core-hole-clock method prepares selectively in- and out-of-plane polarized sulfur 3p orbital occupation with respect to the 1T-TaS2 planes and monitors sub-femtosecond wave packet delocalization. Despite being a prototypical two-dimensional material, isotropic three-dimensional charge transfer is found in the commensurate charge density wave phase (CCDW), indicating strong coupling between layers. In contrast, anisotropic two-dimensional charge transfer occurs for the nearly commensurate phase (NCDW). In direct comparison, theory shows that interlayer interaction in the CCDW phase – not layer stacking variations – causes isotropic three-dimensional charge transfer. This is presumably a general mechanism for phase transitions and tailored properties of dichalcogenides with charge density waves.
EnABLe: An agent-based model to understand Listeria dynamics in food processing facilities
Authors: Zoellner Claire , Jennings Rachel , Wiedmann Martin , Ivanek Renata 
Published: January 2019

AbstractDetection of pathogens in food processing facilities by routine environmental monitoring (EM) is essential to reduce the risk of foodborne illness but is complicated by the complexity of equipment and environment surfaces. To optimize design of EM programs, we developed EnABLe (“Environmental monitoring with an Agent-Based Model of Listeria”), a detailed and customizable agent-based simulation of a built environment. EnABLe is presented here in a model system, tracing Listeria spp. (LS) (an indicator for conditions that allow the presence of the foodborne pathogen Listeria monocytogenes) on equipment and environment surfaces in a cold-smoked salmon facility. EnABLe was parameterized by existing literature and expert elicitation and validated with historical data. Simulations revealed different contamination dynamics and risks among equipment surfaces in terms of the presence, level and persistence of LS. Grouping of surfaces by their LS contamination dynamics identified connectivity and sanitary design as predictors of contamination, indicating that these features should be considered in the design of EM programs to detect LS. The EnABLe modeling approach is particularly timely for the frozen food industry, seeking science-based recommendations for EM, and may also be relevant to other complex environments where pathogen contamination presents risks for direct or indirect human exposure.
ENOblock inhibits the pathology of diet-induced obesity
Authors: Cho Haaglim , Lee Ji-Hyung , Um JungIn , Kim Sunwook , Kim Yukyung , Kim Woong-Hee , Kim Yong Sook , Pagire Haushabhau S. , Ahn Jin Hee , Ahn Youngkeun , Chang Young-Tae , Jung Da-Woon , Williams Darren R. 
Published: January 2019

AbstractObesity is a medical condition that impacts on all levels of society and causes numerous comorbidities, such as diabetes, cardiovascular disease, and cancer. We assessed the suitability of targeting enolase, a glycolysis pathway enzyme with multiple, secondary functions in cells, to treat obesity. Treating adipocytes with ENOblock, a novel modulator of these secondary ‘moonlighting’ functions of enolase, suppressed the adipogenic program and induced mitochondrial uncoupling. Obese animals treated with ENOblock showed a reduction in body weight and increased core body temperature. Metabolic and inflammatory parameters were improved in the liver, adipose tissue and hippocampus. The mechanism of ENOblock was identified as transcriptional repression of master regulators of lipid homeostasis (Srebp-1a and Srebp-1c), gluconeogenesis (Pck-1) and inflammation (Tnf-α and Il-6). ENOblock treatment also reduced body weight gain, lowered cumulative food intake and increased fecal lipid content in mice fed a high fat diet. Our results support the further drug development of ENOblock as a therapeutic for obesity and suggest enolase as a new target for this disorder.
A panel of eGFP reporters for single base editing by APOBEC-Cas9 editosome complexes
Authors: Martin A. St. , Salamango D. J. , Serebrenik A. A. , Shaban N. M. , Brown W. L. , Harris R. S. 
Published: January 2019

AbstractThe prospect of introducing a single C-to-T change at a specific genomic location has become feasible with APOBEC-Cas9 editing technologies. We present a panel of eGFP reporters for quantification and optimization of single base editing by APOBEC-Cas9 editosomes. Reporter utility is demonstrated by comparing activities of seven human APOBEC3 enzymes and rat APOBEC1 (BE3). APOBEC3A and RNA binding-defective variants of APOBEC3B and APOBEC3H display the highest single base editing efficiencies. APOBEC3B catalytic domain complexes also elicit the lowest frequencies of adjacent off-target events. However, unbiased deep-sequencing of edited reporters shows that all editosomes have some degree of local off-target editing. Thus, further optimization is required to generate true single base editors and the eGFP reporters described here have the potential to facilitate this process.
Multi-photon ionisation spectroscopy for rotational state preparation of $${{\bf{N}}}_{{\bf{2}}}^{{\boldsymbol{+}}}$$
Authors: Gardner Amy , Softley Timothy , Keller Matthias 
Published: January 2019

AbstractIn this paper we investigate the 2 + 1′ resonance enhanced multi-photon ionisation (REMPI) of molecular nitrogen via the a1Πg(v = 6) intermediate state and analyse its feasibility to generate molecular nitrogen ions in a well defined ro-vibrational state. This is an important tool for high precision experiments based on trapped molecular ions, and is crucial for studying the time variation of the fundamental constant mp/me using $${{\rm{N}}}_{2}^{+}$$

N

2

+

. The transition is not reported in the literature and detailed spectral analysis has been conducted to extract the molecular constants of the intermediate state. By carefully choosing the intermediate ro-vibrational state, the ionisation laser wavelength and controlling the excitation laser pulse energy, unwanted formation of rotationally excited molecular ions can be suppressed and ro-vibrational ground state ions can be generated with high purity.
Evolutionary structure and timing of major habitat shifts in Crocodylomorpha
Authors: Wilberg Eric W. , Turner Alan H. , Brochu Christopher A. 
Published: January 2019

AbstractExtant crocodylomorphs are semiaquatic ambush predators largely restricted to freshwater or estuarine environments, but the group is ancestrally terrestrial and inhabited a variety of ecosystems in the past. Despite its rich ecological history, little effort has focused on elucidating the historical pattern of ecological transitions in the group. Traditional views suggested a single shift from terrestrial to aquatic in the Early Jurassic. However, new fossil discoveries and phylogenetic analyses tend to imply a multiple-shift model. Here we estimate ancestral habitats across a comprehensive phylogeny and show at least three independent shifts from terrestrial to aquatic and numerous other habitat transitions. Neosuchians first invade freshwater habitats in the Jurassic, with up to four subsequent shifts into the marine realm. Thalattosuchians first appear in marine habitats in the Early Jurassic. Freshwater semiaquatic mahajangasuchids are derived from otherwise terrestrial notosuchians. Within nearly all marine groups, some species return to freshwater environments. Only twice have crocodylomorphs reverted from aquatic to terrestrial habitats, both within the crown group. All living non-alligatorid crocodylians have a keratinised tongue with salt-excreting glands, but the lack of osteological correlates for these adaptations complicates pinpointing their evolutionary origin or loss. Based on the pattern of transitions to the marine realm, our analysis suggests at least four independent origins of saltwater tolerance in Crocodylomorpha.
Ag(I) and Au(III) Mercaptobenzothiazole complexes induced apoptotic cell death
Authors: Sherine Jositta , Upadhyay Arun , Mishra Amit , Kumar Deepak , Pal Samanwita , Harinipriya S. 
Published: January 2019

Abstract2-Mercaptobenzothiazole (MBT) complexes of Ag(I) and Au(III) were synthesized by wet chemical method. The structural, optical, 1HNMR, ICP – MS and electrochemical studies of the complexes were carried out. The TUNEL assay studies of Ag(I)MBT and Au(III)MBT complexes on A549 cell line indicated induced apoptosis in the cells. TUNEL assay showed 60% cell viability for Ag(I)MBT whereas 80% for Au(III)MBT. Thus Ag(I)MBT can induce cell apoptosis in cells at a higher rate than Au(III)MBT. Therefore these complexes studied here can be a viable option as anti – proliferating agent.
Through synapses to spatial memory maps via a topological model
Authors: Dabaghian Yuri 
Published: January 2019

AbstractVarious neurophysiological and cognitive functions are based on transferring information between spiking neurons via a complex system of synaptic connections. In particular, the capacity of presynaptic inputs to influence the postsynaptic outputs–the efficacy of the synapses–plays a principal role in all aspects of hippocampal neurophysiology. However, a direct link between the information processed at the level of individual synapses and the animal’s ability to form memories at the organismal level has not yet been fully understood. Here, we investigate the effect of synaptic transmission probabilities on the ability of the hippocampal place cell ensembles to produce a cognitive map of the environment. Using methods from algebraic topology, we find that weakening synaptic connections increase spatial learning times, produce topological defects in the large-scale representation of the ambient space and restrict the range of parameters for which place cell ensembles are capable of producing a map with correct topological structure. On the other hand, the results indicate a possibility of compensatory phenomena, namely that spatial learning deficiencies may be mitigated through enhancement of neuronal activity.
Open-Source Multiparametric Optocardiography
Authors: Cathey Brianna , Obaid Sofian , Zolotarev Alexander M. , Pryamonosov Roman A. , Syunyaev Roman A. , George Sharon A. , Efimov Igor R. 
Published: January 2019

AbstractSince the 1970s fluorescence imaging has become a leading tool in the discovery of mechanisms of cardiac function and arrhythmias. Gradual improvements in fluorescent probes and multi-camera technology have increased the power of optical mapping and made a major impact on the field of cardiac electrophysiology. Tandem-lens optical mapping systems facilitated simultaneous recording of multiple parameters characterizing cardiac function. However, high cost and technological complexity restricted its proliferation to the wider biological community. We present here, an open-source solution for multiple-camera tandem-lens optical systems for multiparametric mapping of transmembrane potential, intracellular calcium dynamics and other parameters in intact mouse hearts and in rat heart slices. This 3D-printable hardware and Matlab-based RHYTHM 1.2 analysis software are distributed under an MIT open-source license. Rapid prototyping permits the development of inexpensive, customized systems with broad functionality, allowing wider application of this technology outside biomedical engineering laboratories.
Serum levels of fibroblast growth factor-2 distinguish Takayasu arteritis from giant cell arteritis independent of age at diagnosis
Authors: Fukui Shoichi , Kuwahara-Takaki Ayako , Ono Nobuyuki , Sato Shuntaro , Koga Tomohiro , Kawashiri Shin-ya , Iwanaga Nozomi , Iwamoto Naoki , Ichinose Kunihiro , Tamai Mami , Nakamura Hideki , Origuchi Tomoki , Migita Kiyoshi , Arinobu Yojiro , Niiro Hiroaki , Tada Yoshifumi , Akashi Koichi , Maeda Takahiro , Kawakami Atsushi 
Published: January 2019

AbstractTakayasu arteritis (TAK) and giant cell arteritis (GCA) are two major variants of large vessel vasculitis, and age is a major factor in their differential diagnosis. We sought to determine whether the two diseases exist on the same spectrum. We compared the serum levels of multiple cytokines and chemokines in 25 patients with TAK, 20 patients with GCA, and sex- and age-matched healthy donors for either condition (HD-TAK and HD-GCA). To evaluate the effects of age on the levels of cytokines and chemokines, we performed multiple logistic regression analysis using the least absolute shrinkage and selection operator (LASSO) method. The levels of IL-1RA, IL-10, GM-CSF, G-CSF, FGF-2, eotaxin, and IP-10 were significantly different between TAK and GCA, but no differences were found in the levels of IL-6, IL-12(p40), IL-17, IFN-γ, and TNF-α. Significant differences in the levels of IL-1RA, IL-10, GM-CSF, eotaxin, and IP-10 were observed between the HD-TAK and HD-GCA groups. Multiple logistic regression analysis demonstrated that only FGF-2 and IP-10 could significantly distinguish the diseases when added to age. Multiple logistic analysis using factors selected by the LASSO method revealed that FGF-2 was the only significant factor to distinguish the diseases when added to age. Among numerous cytokines and chemokines analyzed, only FGF-2 could be used together with age at diagnosis to differentiate TAK and GCA. Our results suggested the importance of considering the effects of age on serum cytokines.
Polarization induced control of optical trap potentials in binary liquids
Authors: Mondal Dipankar , Dinda Sirshendu , Bandyopadhyay Soumendra Nath , Goswami Debabrata 
Published: January 2019

AbstractWe illustrate control of a polarized laser optical trapping potential landscape through the nonideal mixing of binary liquids. The inherent trapping potential asymmetry (ITPA) present in the trapping region results from the asymmetric intensity distribution in focal volume due to the high numerical aperture objective lens. Experimentally, we show that this ITPA effect can be modified and/or removed by the use of binary liquid mixtures. From our femtosecond optical tweezers experiments, we determine the topograph of the trapping potential base on the fluctuation-dissipation theorem. Additionally, the Brownian motion of the trapped bead is sensitive to the frictional force (FF) of the surroundings that is exerted by clusters of water and alcohol binary mixture through extended hydrogen bonding. Thus, using these two effects, ITPA and FF of the medium, we have shown that one can indeed modify the effective trapping potential landscape. Water-alcohol binary mixtures display a nonlinear dependence on the microrheological properties of the solvent composition as a result of rigid cluster formation. Volumetrically, at about 30% methanol in water binary mixture, the trapping asymmetry is minimal. In this particular binary mixture composition, the hydrophobic part of the methanol molecule is surrounded by ‘cages’ of water molecules. Enhanced H-bonding network of water molecules results in higher viscosity, which contributes to the higher frictional force. Increased viscosity decreases the degree of anisotropy due to hindered dipolar rotation. However, at higher methanol concentrations, the methanol molecules are no longer contained within the water cages and are free to move, which decrease their overall bulk viscosity. Thus, for pure solvents, experimentally measured anisotropy matches quite well with the theoretical prediction, but this fails in case of the binary mixtures due to the increased frictional force exerted by binary mixtures that result from the formation of cage-like structures.
Regulation of volatile and non-volatile pheromone attractants depends upon male social status
Authors: Thoß M. , Luzynski K. C. , Enk V. M. , Razzazi-Fazeli E. , Kwak J. , Ortner I. , Penn D. J. 
Published: January 2019

AbstractWe investigated the regulation of chemical signals of house mice living in seminatural social conditions. We found that male mice more than doubled the excretion of major urinary proteins (MUPs) after they acquired a territory and become socially dominant. MUPs bind and stabilize the release of volatile pheromone ligands, and some MUPs exhibit pheromonal properties themselves. We conducted olfactory assays and found that female mice were more attracted to the scent of dominant than subordinate males when they were in estrus. Yet, when male status was controlled, females were not attracted to urine with high MUP concentration, despite being comparable to levels of dominant males. To determine which compounds influence female attraction, we conducted additional analyses and found that dominant males differentially upregulated the excretion of particular MUPs, including the pheromone MUP20 (darcin), and a volatile pheromone that influences female reproductive physiology and behavior. Our findings show that once male house mice become territorial and socially dominant, they upregulate the amount and types of excreted MUPs, which increases the intensities of volatiles and the attractiveness of their urinary scent to sexually receptive females.
Two macrocycle-based sensors for anions sensing
Authors: Liu Yingjie , Zhao Zhixiang , Huo Ran , Liu Qingxiang 
Published: January 2019

AbstractTwo macrocyclic bis-benzimidazolium salts 2 and 4 (23-membered for 2 and 25-membered for 4) were prepared, and their structures were confirmed by X-ray crystallography, 1H NMR and 13C NMR spectroscopy. The research of anion recognitions using 2 or 4 as hosts were carried out with the methods of fluorescence and ultraviolet spectroscopy, 1H NMR titrations, MS and IR spectra. The experiment results show that 2 can detect acetate anion and 4 can detect nitrate anion with favorable selectivity and sensitivity.