bluuebunny/crossref_metadata_2025 huggingface dataset:
First Evidence of Coherent Bands of Strong Turbulent Layers Associated with High-Wavenumber Internal-Wave Shear in the Upstream Kuroshio
Authors: Nagai Takeyoshi , Hasegawa Daisuke , Tanaka Takahiro , Nakamura Hirohiko , Tsutsumi Eisuke , Inoue Ryuichiro , Yamashiro Toru
Published: October 2017

The upstream Kuroshio flows through Okinawa Trough and the Tokara island chain, the region near the continental shelf of the East China Sea and shallow seamounts, where the Kuroshio can induce strong mixing over the shallow topography. Also, tidal currents over the rough topography may produce internal tides, and associated turbulence. The previous observations show energetic high vertical wavenumber near-inertial wave shear in the Kuroshio thermocline, which implies strong turbulent mixing. However, direct turbulence measurements in this region are very scarce. Using high lateral resolution (1–2 km) direct turbulence measurements, we show here, for the first time, that strong turbulent layers form spatially coherent banded structures with lateral scales of >O(10 km), associated with bands of near-inertial wave/diurnal internal tide shear of high vertical wavenumber in the upstream Kuroshio. The turbulent kinetic energy dissipation rates within these turbulent layers are >O(10−7 W kg−1), and estimated vertical eddy diffusivity shows >O(10−4 m2 s−1) on average. These results suggest that the high vertical wavenumber near-inertial waves propagating in the upstream Kuroshio could have large impacts on the watermass modifications, momentum mixing, nutrient supply, and associated biogeochemical responses in its downstream.
The RNA binding protein La/SS-B promotes RIG-I-mediated type I and type III IFN responses following Sendai viral infection
Authors: Mahony Rebecca , Broadbent Lindsay , Maier-Moore Jacen S. , Power Ultan F. , Jefferies Caroline A.
Published: October 2017

La/SS-B (or La) is a 48 kDa RNA-binding protein and an autoantigen in autoimmune disorders such as systemic lupus erythematosus (SLE) and Sjögren’s syndrome (SS). La involvement in regulating the type I interferon (IFN) response is controversial - acting through both positive and negative regulatory mechanisms; inhibiting the IFN response and enhancing viral growth, or directly inhibiting viral replication. We therefore sought to clarify how La regulates IFN production in response to viral infection. ShRNA knockdown of La in HEK 293 T cells increased Sendai virus infection efficiency, decreased IFN-β, IFN-λ1, and interferon-stimulated chemokine gene expression. In addition, knockdown attenuated CCL-5 and IFN-λ1 secretion. Thus, La has a positive role in enhancing type I and type III IFN production. Mechanistically, we show that La directly binds RIG-I and have mapped this interaction to the CARD domains of RIG-I and the N terminal domain of La. In addition, we showed that this interaction is induced following RIG-I activation and that overexpression of La enhances RIG-I-ligand binding. Together, our results demonstrate a novel role for La in mediating RIG-I-driven responses downstream of viral RNA detection, ultimately leading to enhanced type I and III IFN production and positive regulation of the anti-viral response.
The lunar core can be a major reservoir for volatile elements S, Se, Te and Sb
Authors: Steenstra Edgar S. , Lin Yanhao , Dankers Dian , Rai Nachiketa , Berndt Jasper , Matveev Sergei , van Westrenen Wim
Published: October 2017

The Moon bears a striking compositional and isotopic resemblance to the bulk silicate Earth (BSE) for many elements, but is considered highly depleted in many volatile elements compared to BSE due to high-temperature volatile loss from Moon-forming materials in the Moon-forming giant impact and/or due to evaporative loss during subsequent magmatism on the Moon. Here, we use high-pressure metal-silicate partitioning experiments to show that the observed low concentrations of volatile elements sulfur (S), selenium (Se), tellurium (Te), and antimony (Sb) in the silicate Moon can instead reflect core-mantle equilibration in a largely to fully molten Moon. When incorporating the core as a reservoir for these elements, their bulk Moon concentrations are similar to those in the present-day bulk silicate Earth. This suggests that Moon formation was not accompanied by major loss of S, Se, Te, Sb from Moon-forming materials, consistent with recent indications from lunar carbon and S isotopic compositions of primitive lunar materials. This is in marked contrast with the losses of other volatile elements (e.g., K, Zn) during the Moon-forming event. This discrepancy may be related to distinctly different cosmochemical behavior of S, Se, Te and Sb within the proto-lunar disk, which is as of yet virtually unconstrained.
Non-alcoholic fatty liver disease is an influencing factor for the association of SHBG with metabolic syndrome in diabetes patients
Authors: Hua Xiaomin , Li Man , Pan Fenghui , Xiao Yunyun , Cui Wenxia , Hu Yun
Published: October 2017

Metabolic syndrome (MS) and non-alcoholic fatty liver disease (NAFLD) have been identified as risk factors affecting serum sex hormone binding globulin (SHBG) levels. We conducted this cross-sectional study to delineate whether MS or NAFLD has more impact on circulating SHBG levels in type 2 diabetes (T2D) patients. Anthropometric and biochemical parameters including serums SHBG, testosterone (TT), liver enzymes, lipids, insulin, C-peptide and plasma glucose were measured. Regardless of the MS status, SHBG level was significantly lower in NAFLD patients than in non-NAFLD patients (P < 0.001). In the multiple linear regression analysis, lower serum SHBG level was strongly correlated with a higher incidence of NAFLD, but not MS components. In logistic regression analyses, after adjusted for age, sex, duration of diabetes, smoking status, and alcohol use, the ORs and 95%CI for presence of MS was 2.26 (95%CI 1.91–2.68) and for presence of NAFLD was 6.36 (95%CI 4.87–8.31) with per one SD decrease in serum SHBG (both P < 0.001). In conclusion, lower serum SHBG is associated with a higher prevalence of NAFLD, compared with MS and other metabolic disorders, in T2D patients. NAFLD might be an important influencing factor for the association of circulating SHBG with MS in T2D patients.
New Insights into PI3K Inhibitor Design using X-ray Structures of PI3Kα Complexed with a Potent Lead Compound
Authors: Yang Xiuyan , Zhang Xi , Huang Min , Song Kun , Li Xuefen , Huang Meilang , Meng Linghua , Zhang Jian
Published: October 2017

Phosphatidylinositol 3-kinase α is an attractive target to potentially treat a range of cancers. Herein, we described the evolution of a reported PI3K inhibitor into a moderate PI3Kα inhibitor with a low molecular weight. We used X-ray crystallography to describe the accurate binding mode of the compound YXY-4F. A comparison of the p110α–YXY-4F and apo p110α complexes showed that YXY-4F induced additional space by promoting a flexible conformational change in residues Ser773 and Ser774 in the PI3Kα ATP catalytic site. Specifically, residue 773(S) in PI3Kα is quite different from that of PI3Kβ (D), γ (A), and δ (D), which might guide further optimization of substituents around the NH group and phenyl group to improve the selectivity and potency of PI3Kα.
New concept of pump-less forward osmosis (FO) and low-pressure membrane (LPM) process
Authors: Im Sung-Ju , Choi Jungwon , Jeong Sanghyun , Jang Am
Published: October 2017

We tested the possibility of energy-saving water treatment methods by using a pump-less forward osmosis (FO) and low-pressure membrane (LPM) hybrid process (FO-LPM). In this pump-less FO-LPM, permeate migrates from the feed solution (FS) to the draw solution (DS) through the FO membrane by use of osmotic pressure differences. At the same time, within the closed DS tank, inner pressure increases as the DS volume increases. By using the DS tank’s internal pressure, the LPM process works to re-concentrate the diluted DS, maintaining the DS concentration and producing clean water. In this study, a polymer - polystyrene sulfonate (PSS) was used as a draw solute. Based on the results of each individual portion of the process, the optimal range of the PSS DS was determined. The performance of the pump-less FO-LPM process was lower than that of a single process; however, we observed that the hybrid process can be operated without a pump for regeneration of a diluted DS. This research highlights the feasibility and applicability of pump-less FO-LPM processes using a polymeric DS for water treatment. Additionally, it is suggested that this novel process offers a breakthrough in FO technology that is often limited by operation and management cost.
Opto-electric investigation for Si/organic heterojunction single-nanowire solar cells
Authors: Yang Zhenhai , Liu Zhaolang , Sheng Jiang , Guo Wei , Zeng Yuheng , Gao Pingqi , Ye Jichun
Published: October 2017

Recently, silicon single nanowire solar cells (SNSCs) serving as the sustainable self-power sources have been integrated into optoelectronic nanodevices under the driver of technology and economy. However, conventional SNSC cannot provide the minimum energy consumption for the operation of nanodevices due to its low power conversion efficiency (PCE). Here, we propose an innovative approach to combine the n-type silicon nanowires (SiNWs) with p-type poly(3,4-ethylthiophene):poly(styrenesulfonate) (PEDOT:PSS) to form the p+n heterojunction, which shows superior opto-electric performances. Besides, PEDOT:PSS also acts as a natural anti-reflection coating (ARC) with an excellent light-trapping capability, especially in the short-wavelength range. Importantly, the photovoltaic performances of Si/PEDOT:PSS SNSC can be well maintained even in large surface recombination velocity, due to the efficient field-effect passivation of PEDOT:PSS. The minority carrier concentration at outer surface of shallow p+n heterojunction is greatly reduced by the electric field, drastically suppressing the surface recombination compared to the conventional p-i-n homojunction SNSC. Furthermore, larger junction area of p+n heterojunction facilitates the separation of photo-generated charge carriers. These results demonstrate that the Si/PEDOT:PSS SNSC is a promising alternative for micro power application.
Dementia-related agitation: a review of non-pharmacological interventions and analysis of risks and benefits of pharmacotherapy
Authors: Ijaopo E O
Published: October 2017

Unsurprisingly, the subject of dementia has been a rising matter of public health concerns as people now live longer. World Alzheimer Report 2015, estimate that about 46.8 million people worldwide have dementia. These numbers are projected to almost double every 20 years, reaching 74.7 million in 2030 and 131.5 million in 2050. The modality for treating agitation and other behavioral symptoms in dementia patients has been a challenge. Many years on, there has been no FDA-approved pharmacotherapy in treating dementia-related agitation. This review discusses the current knowledge of non-pharmacological interventions, and analyzes the risks and benefits of pharmacotherapy in the management of dementia-related agitation, as well as providing an anecdotal of the author's clinical experience. This article aims to provide opportunity for increase awareness for clinicians, particularly those with no specialty training in geriatrics medicine but see dementia patients with agitation and other behavioral symptoms from time to time. Likewise, it hopefully will benefit the readers of medical journals to update their existing knowledge on matters relating to the management of dementia-related agitation.
Deep brain stimulation for treatment-resistant major depressive disorder: a comparison of two targets and long-term follow-up
Authors: Raymaekers S , Luyten L , Bervoets C , Gabriëls L , Nuttin B
Published: October 2017

We previously found that electrical stimulation in the anterior limb of the internal capsule/bed nucleus of the stria terminalis (IC/BST) alleviates depressive symptoms in severe treatment-resistant obsessive-compulsive disorder (OCD) patients. Here we tested the hypothesis that electrical stimulation in either IC/BST or in the inferior thalamic peduncle (ITP) effectively reduces depressive symptoms in treatment-resistant major depressive disorder (TRD). In a double-blind crossover design, the effects of electrical stimulation at both targets were compared in TRD patients. The 17-item Hamilton Depression Rating scale (HAM-D) was the primary outcome measure. During the first crossover, patients received IC/BST stimulation versus no stimulation in random order (2 × 1 weeks). During the second crossover (3 × 2 months), patients received IC/BST versus ITP versus no stimulation. Patients and evaluators were blinded for stimulation conditions. All patients (n=7) were followed up for at least 3 years (3–8 years) after implantation. Six patients completed the first crossover and five patients completed the second. During the first crossover, mean (s.d.) HAM-D scores were 21.5 (2.7) for no stimulation and 11.5 (8.8) for IC/BST stimulation. During the second crossover, HAM-D scores were 15.4 (7.5) for no stimulation, 7.6 (3.8) for IC/BST stimulation and 11.2 (7.5) for ITP stimulation. The final sample size was too small to statistically analyze this second crossover. At last follow-up, only one patient preferred ITP over IC/BST stimulation. Two patients, with a history of suicide attempts before implantation, committed suicide during the follow-up phases of this study. Our data indicate that, in the long term, both ITP and IC/BST stimulation may alleviate depressive symptoms in patients suffering from TRD.
Haem-based Sensors of Carbon Monoxide
Authors: Aono Shigetoshi
Published: October 2017

Though CO is well known as a respiratory poison, it becomes apparent that it has positive biological functions in various systems. CO acts as a component of the active sites in hydrogenase metalloenzymes, but also as a signalling molecule in bacteria and mammals. In this chapter, endogenous CO production systems and biological utilization of CO are described briefly and then followed by discussion of the bacterial and mammalian sensor proteins that are required for CO to act as a signalling molecule. These proteins are responsible for the regulation of transcription or enzymatic activity in response to CO. All CO-sensor proteins identified to date utilize the haem group to sense CO. As haem is a good spectroscopic probe, detailed characterizations have utilized spectroscopic techniques along with X-ray crystallography. The structural and functional relationships of CO-sensor proteins CooA, RcoM, NPAS2, CLOCK, and CBS, are discussed.
Mammalian O2 Sensing and Signalling
Authors: Chaplin Vanessa D. , Barbato Alexandra N. , Knapp Michael J.
Published: October 2017

Mammals sense low pO2 (hypoxia) by processes over multiple length scales, ranging from cellular-based pathways up through tissue-based pathways. The most prominent O2-sensing pathway centres on the hypoxia inducible factor (HIF), which induces gene expression under hypoxic conditions. HIF is regulated primarily by the HIF hydroxylases, the factor inhibiting HIF (FIH) and prolyl hydroxylase domain (PHD) enzymes, which are nonhaem Fe, alpha-ketoglutarate dependent dioxygenases. FIH and PHD recognize selective sequences on HIFα, but they also hydroxylate alternative substrates, such as proteins containing ankyrin repeat domains (ARDs) and a variety of proteins involved in cellular stress responses. Consequently, the search for new substrates of FIH and PHD is a rich area of research. Proposals for additional O2 sensors, such as H2S and the F-box and leucine-rich repeat protein 5 (FBXL5), are introduced. The tissue-level responses of vasopermeation and vasoconstriction are discussed, and connected to cellular events such as changes in potassium channels.
Electrochemical reactive oxygen species detection by cytochromecimmobilized with vertically aligned and electrochemically reduced graphene oxide on a glassy carbon electrode
Authors: Thirumalai Dinakaran , Kathiresan Vijayaraj , Lee Jaewon , Jin Sung-Ho , Chang Seung-Cheol
Published: October 2017

Selective detection of hydrogen peroxide and superoxide based on a cytochromecmodified glassy carbon electrode.
Bifunctional organic sponge photocatalyst for efficient cross-dehydrogenative coupling of tertiary amines to ketones
Authors: Zhang Teng , Liang Weiwei , Huang Yuxing , Li Xingrong , Liu Yizhen , Yang Bo , He Chuanxin , Zhou Xuechang , Zhang Junmin
Published: October 2017

A novel bifunctional organic sponge photocatalyst can enable the efficient coupling of tertiary amines with ketones in water. The asymmetric transformation can be also achieved by using this sponge photocatalyst.
Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro
Authors: Rademeyer M. , van der Westhuizen B.
Published: October 2017

The structural diversity observed in a family of carboxyalkylammonium halide- and oxo-salts is investigated employing crystal engineering principles.
First principles prediction of CH4 reactivities with Co3O4 nanocatalysts of different morphologies
Authors: Wang Shibin , Zhao Chengcheng , Li Shenggang , Sun Yuhan
Published: October 2017

Relative methane reactivities of Co3O4 nanocatalysts of different morphologies can be reliably estimated based on results from first principles calculations.
TMAO mediates effective attraction between lipid membranes by partitioning unevenly between bulk and lipid domains
Authors: Sukenik Shahar , Dunsky Shaked , Barnoy Avishai , Shumilin Ilan , Harries Daniel
Published: October 2017

TMAO induces an attractive force between lipid bilayers. The force is traced to the preferential repulsion of the osmolyte from lipid.
General destabilization mechanism of pH-responsive Pickering emulsions
Authors: Anjali Thriveni G. , Basavaraj Madivala G.
Published: October 2017

pH driven detachment of particles from Pickering emulsion droplets.
Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms
Authors: Hou Dingyu , You Xiaoqing
Published: October 2017

We studied how the PAH structure, site, and size affect the rate constants of hydrogen abstraction reactions of PAH systematically.
Quantifying small changes in uranium oxidation states using XPS of a shallow core level
Authors: Ilton Eugene S. , Du Yingge , Stubbs Joanne E. , Eng Peter J. , Chaka Anne M. , Bargar John R. , Nelin Connie J. , Bagus Paul S.
Published: October 2017

Quantification of U(iv), U(v), and U(vi) in UO2+x using the 5d XPS.
Multiple interaction regulated phase transition behavior of thermo-responsive copolymers containing cationic poly(ionic liquid)s
Authors: Zhang Yingna , Tang Hui , Wu Peiyi
Published: October 2017

Schematic illustration of the phase transition mechanism of the P(OEGMA-co-BVIm[SCN]) copolymer.
Formation and structure of the ferryl [FeO] intermediate in the non-haem iron halogenase SyrB2: classical and QM/MM modelling agree
Authors: Rugg G. , Senn H. M.
Published: October 2017

All O2activation roads for three substrates and three spin states in SyrB2 lead to the same [FeO] structure.
Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface
Authors: Zhou Xueyao , Nattino Francesco , Zhang Yaolong , Chen Jun , Kroes Geert-Jan , Guo Hua , Jiang Bin
Published: October 2017

A new chemically accurate potential energy surface for the dissociative chemisorption of methane on the rigid Ni(111) surface.
Identifying Cu(ii)–amyloid peptide binding intermediates in the early stages of aggregation by resonance Raman spectroscopy: a simulation study
Authors: Ren Hao , Zhang Yu , Guo Sibei , Lin Na , Deng Li , Yue Tongtao , Huang Fang
Published: October 2017

Identifying the binding intermediates between Cu(ii) and amyloid β peptide in the early stages of aggregation by resonance Raman spectroscopy
Two-dimensional boron: structures, properties and applications
Authors: Zhang Zhuhua , Penev Evgeni S. , Yakobson Boris I.
Published: October 2017

This review highlights the power of theory in pursuit of two-dimensional boron and presents its versatile properties and prospects for applications.
Exploring the localized to delocalized transition in non-symmetric bimetallic ruthenium polypyridines
Authors: Oviedo Paola S. , Pieslinger German E. , Cadranel Alejandro , Baraldo Luis M.
Published: October 2017

Modification of the ligand L in the mixed-valence cyanide-bridged complexes [Ru(tpy)(bpy)(μ-CN)Ru(bpy)2(L)]3+/4+ (L= Cl− (12+), NCS− (23+), 4-dimethylaminopyridine (34+) or acetonitrile (44+)) reduces the difference between the redox potentials of the ruthenium ions and leads to a transition from a localized to a delocalized configuration.
Visible-light-mediated aerobic selenation of (hetero)arenes with diselenides
Authors: Zhang Qing-Bao , Ban Yong-Liang , Yuan Pan-Feng , Peng Shou-Jiao , Fang Jian-Guo , Wu Li-Zhu , Liu Qiang
Published: October 2017

The first visible-light driven aerobic oxidation for the direct selenation of (hetero)arenes has been developed at room temperature, providing an eco-friendly, atom-economical protocol to prepare unsymmetrical selenides from easily accessible diselenides.
Applications and developments of on-chip biochemical sensors based on optofluidic photonic crystal cavities
Authors: Zhang Ya-nan , Zhao Yong , Zhou Tianmin , Wu Qilu
Published: October 2017

Photonic crystal (PC) cavities, which possess the advantages of compactness, flexible design, and suitability for integration in a lab-on-a-chip system, are able to distinguish slight variations in refractive index with only a small amount of analyte.
A novel microfluidic microelectrode chip for a significantly enhanced monitoring of NPY-receptor activation in live mode
Authors: Zitzmann Franziska D. , Jahnke Heinz-Georg , Nitschke Felix , Beck-Sickinger Annette G. , Abel Bernd , Belder Detlev , Robitzki Andrea A.
Published: October 2017

We present a FEM simulation based step-by-step development of a microelectrode array integrated into a microfluidic chip for the non-invasive real-time monitoring of living cells.
Recent advances in microfluidic technologies for cell-to-cell interaction studies
Authors: Rothbauer Mario , Zirath Helene , Ertl Peter
Published: October 2017

Microfluidic cell cultures are ideally positioned to become the next generation ofin vitrodiagnostic tools for biomedical research, where key biological processes such as cell signalling and dynamic cell-to-cell interactions can be reliably analysed under reproducible physiological cell culture conditions.
Chirality inversion, supramolecular hydrogelation and lectin binding of two thiolactose amphiphiles constructed on a di-lauroyl-l-tartaric acid scaffold
Authors: Cano María Emilia , Di Chenna Pablo Héctor , Lesur David , Wolosiuk Alejandro , Kovensky José , Uhrig María Laura
Published: October 2017

The supramolecular self-assembly mode of two diacyl-glycoamphiphiles depends on the length of the flexible achiral ethoxylated linker.
Investigation of cobalt(iii)–TPA complexes as potential bioreductively activated carriers for naphthoquinone-based drugs
Authors: da Silva Aline Farias Moreira , Vital Renata de Uzêda , Martins Daniela de Luna , da Rocha David Rodrigues , Ferreira Glaucio Braga , Camargos Resende Jackson Antônio Lamounier , Lanznaster Mauricio
Published: October 2017

Differently from CH3, halogens as substituents foster incorporation of methoxide into NQs upon complexation.
A Ni-2,2′-bisdipyrrinato complex as a potential sensitizer: synthesis and photoelectrochemical characterization
Authors: Poma Alessandro , Grigioni Ivan , Dozzi Maria Vittoria , Baudron Stéphane A. , Carlucci Lucia , Hosseini Mir Wais , Selli Elena
Published: October 2017

A novel Ni-based 2,2′-bisdipyrrinato complex bearing peripheral benzoic acid groups (Ni-bisdpmCOOH), able upon excitation to inject electrons into TiO2, has been synthesized and characterized.
Controlling graphene plasmons with a zero-index metasurface
Authors: Lin Lihui , Lu Yanxin , Yuan Mengmeng , Shi Fenghua , Xu Haixia , Chen Yihang
Published: October 2017

A graphene/photonic-crystal metasurface is proposed to achieve zero-refractive-index of graphene plasmons, which can be used to control the plasmon emission pattern.
Mucopenetrating micelles with a PEG corona
Authors: Taipaleenmäki Essi M. , Mouritzen Sidsel A. , Schattling Philipp S. , Zhang Yan , Städler Brigitte
Published: October 2017

The mucopenetrating properties of cargo-loaded micelles with a PEG corona are characterized in a microfluidic set-up and in cell culture.
Solute particle near a nanopore: influence of size and surface properties on the solvent-mediated forces
Authors: Lam Julien , Lutsko James F.
Published: October 2017

Nanoscopic pores are used in various systems to attract nanoparticles.
Efficient dehydrative alkylation of thiols with alcohols catalyzed by alkyl halides
Authors: Yang Yaqi , Ye Zihang , Zhang Xu , Zhou Yipeng , Ma Xiantao , Cao Hongen , Li Huan , Yu Lei , Xu Qing
Published: October 2017

Alcohols can be efficiently converted into thioethers by a transition metal- and base-free alkyl halide-catalyzed S-alkylation reaction with thiols or disulfides.
Regioselective phosphinylation of coumarins under green LED irradiation and its mechanism
Authors: Li Qingrui , Zhao Xiuli , Li Yabo , Huang Mengmeng , Kim Jung Keun , Wu Yangjie
Published: October 2017

A regioselective and efficient approach to 3-phosphinylated coumarins was developed via the active P-centered radical generated by energy transfer and electron transfer processes under green LED irradiation.
Crystalline–amorphous Co@CoO core–shell heterostructures for efficient electro-oxidation of hydrazine
Authors: Yan Xiaodong , Liu Yuan , Lan Jinle , Yu Yunhua , Murowchick James , Yang Xiaoping , Peng Zhonghua
Published: October 2017

Crystalline–amorphous Co@CoO core–shell heterostructures show high activity towards electro-oxidation of hydrazine.
MoleculeNet: a benchmark for molecular machine learning
Authors: Wu Zhenqin , Ramsundar Bharath , Feinberg Evan N. , Gomes Joseph , Geniesse Caleb , Pappu Aneesh S. , Leswing Karl , Pande Vijay
Published: October 2017

A large scale benchmark for molecular machine learning consisting of multiple public datasets, metrics, featurizations and learning algorithms.
Language Outcomes in Children Who Are Deaf and Hard of Hearing: The Role of Language Ability Before Hearing Aid Intervention
Authors: Daub Olivia , Bagatto Marlene P. , Johnson Andrew M. , Cardy Janis Oram
Published: October 2017

Purpose

Early auditory experiences are fundamental in infant language acquisition. Research consistently demonstrates the benefits of early intervention (i.e., hearing aids) to language outcomes in children who are deaf and hard of hearing. The nature of these benefits and their relation with prefitting development are, however, not well understood.

Method

This study examined Ontario Infant Hearing Program birth cohorts to explore predictors of performance on the Preschool Language Scale–Fourth Edition at the time of (N= 47) and after (N= 19) initial hearing aid intervention.

Results

Regression analyses revealed that, before the hearing aid fitting, severity of hearing loss negatively predicted 19% and 10% of the variance in auditory comprehension and expressive communication, respectively. After hearing aid fitting, children's standard scores on language measures remained stable, but they made significant improvement in their progress values, which represent individual skills acquired on the test, rather than standing relative to same-age peers. Magnitude of change in progress values was predicted by a negative interaction of prefitting language ability and severity of hearing loss for the Auditory Comprehension scale.

Conclusions

These findings highlight the importance of considering a child's prefitting language ability in interpreting eventual language outcomes. Possible mechanisms of hearing aid benefit are discussed.

Supplemental Materials

https://doi.org/10.23641/asha.5538868
Generational Considerations for Counseling Older Adults
Authors: Stead Amanda , Flahive Michael , Fitzgerald Caitlin , Frost Marcia
Published: October 2017

Advances in health care are providing for greater longevity among older Americans. The result is an increasing proportion of elderly on the caseloads of speech-language pathologists, a pattern likely to continue. When counseling older adults, special caveats related to generational identification and contextual factors must inform counseling interactions. Younger clinicians may demonstrate communication styles and behaviors influenced by biases about older adults that interfere with potential effectiveness. Careful training of clinicians in both geriatrics and counseling may improve outcomes; however, such training is limited in most graduate programs. This paper discusses work with older generations and possible solutions for training future clinicians to be best prepared for this aspect of our service.
International Interprofessional Collaboration: The Benefits of Global Networking
Authors: Ross-Swain Deborah , Fogel Beryl , Schneider Elaine Fogel
Published: October 2017

This article summarizes and highlights the benefits of international interprofessional collaboration amongst speech-language pathologists (SLPs). The California Speech-Language and Hearing Association (CSHA) was invited by the National Board of Education of Finland to participate in an academic/educational exchange with educators, SLPs, and medical practitioners. SLPs globally are experiencing shared interests, practice issues, training challenges, outreach opportunities and limitations, shortages, interprofessional collaboration and education challenges and successes, and the desire to network and learn from each other. This article will describe the benefits of academic/educational exchange opportunities for our profession and possible outcomes for global networking.
Ductile dicing of LiNbO3 ridge waveguide facets to achieve 0.29 nm surface roughness in single process step
Authors: Carpenter L.G. , Berry S.A. , Gawith C.B.E.
Published: October 2017

A single‐step ductile dicing process capable of manufacturing optical quality facets in lithium niobate (LiNbO3) ridge waveguides with an average surface roughness of 0.29 nm is reported. This result is comparable with surface roughnesses achieved by lapping and polishing and represents an order of magnitude improvement over the prior state of the art in LiNbO3 waveguide facet dicing.
Saliency‐based initialisation of Gaussian mixture models for fully‐automatic object segmentation
Authors: Kim G. , Yang S. , Sim J.‐Y.
Published: October 2017

The conventional object segmentation methods often degrade their performance due to the requirement of user interaction and/or the incomplete colour appearance models. In this Letter, the authors propose a novel design method of a colour appearance model for accurate and fully‐automatic object segmentation by using saliency maps. The authors initialise the Gaussian mixture models (GMMs) to describe the colour appearance of the foreground objects and the background, respectively, where the mean vectors, covariance matrices, and mixing coefficients are updated adaptively such that more salient pixels have larger weights to update the GMM for the foreground objects while less salient pixels have larger weights to update the GMM for the background, respectively. Experiments are performed on MSRC, iCoseg, and PASCAL datasets and we show that the proposed method outperforms the existing methods quantitatively and qualitatively.
Tamm plasmons for efficient interaction of telecom wavelength photons and quantum dots
Authors: Parker Matthew , Harbord Edmund , Young Andrew , Androvitsaneas Petros , Rarity John , Oulton Ruth
Published: October 2017

The authors present here designs for tuneable confined Tamm plasmons (CTPs) resonant at 1.3 μm, consisting of an AlAs/GaAs distributed Bragg reflector and gold disc. Using numerical methods they explored the effect of disc diameter on the CTP resonance and position of a dipole source (modelling a quantum dot) on emission through the disc. They found decreasing disc diameter resulted in a blue‐shifted fundamental mode and that a dipole positioned at the centre of the disc emitted with an angular distribution that collected 90% of the transmitted power within a numerical aperture of 0.7. They also explore the Purcell enhancement under the CTP as a function of dipole position.
Electric field controlled transport of water in graphene nano-channels
Authors: Celebi Alper Tunga , Barisik Murat , Beskok Ali
Published: October 2017

Motivated by electrowetting-based flow control in nano-systems, water transport in graphene nano-channels is investigated as a function of the applied electric field. Molecular dynamics simulations are performed for deionized water confined in graphene nano-channels subjected to opposing surface charges, creating an electric field across the channel. Water molecules respond to the electric field by reorientation of their dipoles. Oxygen and hydrogen atoms in water face the anode and cathode, respectively, and hydrogen atoms get closer to the cathode compared to the oxygen atoms near the anode. These effects create asymmetric density distributions that increase with the applied electric field. Force-driven water flows under electric fields exhibit asymmetric velocity profiles and unequal slip lengths. Apparent viscosity of water increases and the slip length decreases with increased electric field, reducing the flow rate. Increasing the electric field above a threshold value freezes water at room temperature.
Methods for removal of unwanted signals from gravity time-series: Comparison using linear techniques complemented with analysis of system dynamics
Authors: Valencio Arthur , Grebogi Celso , Baptista Murilo S.
Published: October 2017

The presence of undesirable dominating signals in geophysical experimental data is a challenge in many subfields. One remarkable example is surface gravimetry, where frequencies from Earth tides correspond to time-series fluctuations up to a thousand times larger than the phenomena of major interest, such as hydrological gravity effects or co-seismic gravity changes. This work discusses general methods for the removal of unwanted dominating signals by applying them to 8 long-period gravity time-series of the International Geodynamics and Earth Tides Service, equivalent to the acquisition from 8 instruments in 5 locations representative of the network. We compare three different conceptual approaches for tide removal: frequency filtering, physical modelling, and data-based modelling. Each approach reveals a different limitation to be considered depending on the intended application. Vestiges of tides remain in the residues for the modelling procedures, whereas the signal was distorted in different ways by the filtering and data-based procedures. The linear techniques employed were power spectral density, spectrogram, cross-correlation, and classical harmonics decomposition, while the system dynamics was analysed by state-space reconstruction and estimation of the largest Lyapunov exponent. Although the tides could not be completely eliminated, they were sufficiently reduced to allow observation of geophysical events of interest above the 10 nm s−2 level, exemplified by a hydrology-related event of 60 nm s−2. The implementations adopted for each conceptual approach are general, so that their principles could be applied to other kinds of data affected by undesired signals composed mainly by periodic or quasi-periodic components.
Exact molecular direct, cavity, and bridge functions in water system
Authors: Belloni Luc
Published: October 2017

The exact molecular bridge function of the extended simple point charge model of liquid water at room temperature is extracted from Monte Carlo (MC) simulation data. The projections gμνmnl(r) onto rotational invariants of the highly directional pair distribution function g(r,Ω) are accumulated during simulation performed with N = 512 molecules (cubic box size L ≈ 25 Å). Making intensive use of anisotropic integral equation techniques, the molecular Ornstein-Zernike equation fed with the MC data available at short distances and completed beyond L/2 with the hypernetted chain closure valid at long distances is then inverted in order to derive on the whole r range the direct correlation function cμνmnl(r), the cavity function yμνmnl(r), the negative excess potential of mean force lnyμνmnl(r), and, finally, the holy grail in such liquid state theory, the bridge function bμνmnl(r) projections. For completeness, the short distance domain inside the soft core can be reached, thanks to the use of a specially designed anisotropic finite potential which replaces the true one between a single pair of molecules in the simulation. The final bridge function b(r,Ω) of bulk water presents strong, non-universal directional features and can now serve as a reference for approximated bridge functions or functionals in liquid physics of aqueous solvents and solutions.
Tracing molecular dephasing in biological tissue
Authors: Mokim M. , Carruba C. , Ganikhanov F.
Published: October 2017

We demonstrate the quantitative spectroscopic characterization and imaging of biological tissue using coherent time-domain microscopy with a femtosecond resolution. We identify tissue constituents and perform dephasing time (T2) measurements of characteristic Raman active vibrations. This was shown in subcutaneous mouse fat embedded within collagen rich areas of the dermis and the muscle connective tissue. The demonstrated equivalent spectral resolution (<0.3 cm−1) is an order of magnitude better compared to commonly used frequency-domain methods for characterization of biological media. This provides with the important dimensions and parameters in biological media characterization and can become an effective tool in detecting minute changes in the bio-molecular composition and environment that is critical for molecular level diagnosis.
High-energy, high-resolution x-ray imaging for metallic cultural heritages
Authors: Hoshino Masato , Uesugi Kentaro , Shikaku Ryuji , Yagi Naoto
Published: October 2017

An x-ray micro-imaging technique to visualize high-resolution structure of cultural heritages made of iron or copper has been developed. It utilizes high-energy x-rays from a bending magnet at the SPring-8 synchrotron radiation facility. A white x-ray beam was attenuated by 0.5 mm tungsten and 2.0 mm lead absorbers resulting in the peak energy of 200 keV. The tungsten absorber eliminated the photon energy peak below the absorption edge of lead. A sample was rotated over 180 degrees in 500 s and projection images were continuously collected with an exposure time of 500 ms by an sCMOS camera equipped with a scintillator. Tomographic reconstruction of an ancient sword containing of both copper and iron was successfully obtained at a voxel size of 14.8 μm. Beam hardening was found to cause 2.5 % differences in density in a reconstructed image of a homogeneous stainless-steel rod. Ring artefacts were reduced by continuously moving the absorbers. This work demonstrates feasibility of high-energy, high-resolution imaging at a synchrotron beamline which may be generally useful for inspecting metallic objects.
Non-local electrical spin injection and detection in germanium at room temperature
Authors: Rortais F. , Vergnaud C. , Marty A. , Vila L. , Attané J.-P. , Widiez J. , Zucchetti C. , Bottegoni F. , Jaffrès H. , George J.-M. , Jamet M.
Published: October 2017

Non-local carrier injection/detection schemes lie at the very foundation of information manipulation in integrated systems. This paradigm consists in controlling with an external signal the channel where charge carriers flow between a “source” and a well separated “drain.” The next generation electronics may operate on the spin of carriers in addition to their charge and germanium appears as the best hosting material to develop such a platform for its compatibility with mainstream silicon technology and the predicted long electron spin lifetime at room temperature. In this letter, we demonstrate injection of pure spin currents (i.e., with no associated transport of electric charges) in germanium, combined with non-local spin detection at 10 K and room temperature. For this purpose, we used a lateral spin valve with epitaxially grown magnetic tunnel junctions as spin injector and spin detector. The non-local magnetoresistance signal is clearly visible and reaches ≈15 mΩ at room temperature. The electron spin lifetime and diffusion length are 500 ps and 1 μm, respectively, the spin injection efficiency being as high as 27%. This result paves the way for the realization of full germanium spintronic devices at room temperature.
Exact exchange-correlation potentials of singlet two-electron systems
Authors: Ryabinkin Ilya G. , Ospadov Egor , Staroverov Viktor N.
Published: October 2017

We suggest a non-iterative analytic method for constructing the exchange-correlation potential, vXC(r), of any singlet ground-state two-electron system. The method is based on a convenient formula for vXC(r) in terms of quantities determined only by the system’s electronic wave function, exact or approximate, and is essentially different from the Kohn–Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit vXC(r), whereas the Kohn–Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3+) using common ab initio methods and Gaussian basis sets.
Bridging a calculation gap extracts exact molecular bridge functions
Authors: Kim Meeri
Published: October 2017

By combining numerical simulations with integral equations, a new technique extracts an accurate molecular bridge function of bulk liquid water and can be applied for other systems.
Ships cause their own stormy seas
Authors: Chang Sung
Published: October 2017

Increased lightning frequency over maritime trade routes links pollution to the development of thunderclouds.
The role of microbiology in gonococcal control in the West: helping to understand the enemy
Authors: Speers David J
Published: October 2017

Western Australia (WA), Australia's largest state by area, has one of the highest notification rates of gonorrhoea in the world. This is likely a reflection of the challenges of providing health services over a vast remote area combined with a unique set of sociocultural aspects. Despite this, microbiology can play a pivotal role in the public health management of gonorrhoea even if the primary health services are thousands of kilometres away from the laboratory. However, it requires new approaches to how diagnostic testing and laboratory surveillance are conducted and the repurposing of existing technologies to cater for novel demands. In this article I describe some of the microbiological approaches that have been undertaken in WA to help address the public health challenge of gonorrhoea. That is, facilitating the appropriate antimicrobial management of gonorrhoea in an era of increasing resistance to prevent treatment failure, timely provision of an accurate diagnosis to inform appropriate treatment, and providing molecular insights to better understand gonococcal transmission (Table 1).
Downward spread of smouldering peat fire: the role of moisture, density and oxygen supply
Authors: Huang Xinyan , Rein Guillermo
Published: October 2017

Smouldering fires in peatland are different from the flames in wildland fires. Smouldering peat fire is slow, low-temperature and more persistent, releasing large amounts of smoke into the atmosphere. In this work, we experimentally and computationally investigate the vertical downward spread of smouldering fire in a column of 30cm-tall moss peat under variable moisture content (MC) and bulk density. The measured downward spread rate decreases with depth and wet bulk density, and is ~1cmh−1 equivalent to a carbon emission flux of 200 tonnesday−1ha−1. We observe that downward spread increases as MC increases substantially at least inside the range from 10 to 70%, which is not intuitive and goes against the trend observed for the horizontal spread in the same peat. We also conduct one-dimensional computational simulations to successfully reproduce the experimental observations. The analysis shows that the spread rate increases with MC and decreases with density because smouldering spread is controlled by the oxygen supply. The volume of the porous peat expands when absorbing water, which reduces the density of organic matter and decreases the heat release rate. This shows that the widely assumed conclusion that the spread rate of wildfire decreases with MC is not universal when applied to smouldering fires.
Testing the neutral hypothesis of phenotypic evolution
Authors: Ho Wei-Chin , Ohya Yoshikazu , Zhang Jianzhi
Published: October 2017

Significance

Despite the universal recognition that adaptation by Darwinian selection can shape phenotypic variations within and between species, it remains unknown whether most phenotypic variations observed have adaptive values, in part because addressing this question requires examining a large, random set of traits while past studies were biased toward traits that are likely adaptive. Here, we study 210 yeast morphological traits chosen purely on the basis of experimental feasibility and expression levels of all yeast genes with reliable measurements. We find that morphological variations, but not expression variations, are largely adaptive, suggesting that different classes of phenotypic traits are subject to adaptive evolution to varying extents.
De novo prediction of human chromosome structures: Epigenetic marking patterns encode genome architecture
Authors: Di Pierro Michele , Cheng Ryan R. , Lieberman Aiden Erez , Wolynes Peter G. , Onuchic José N.
Published: October 2017

Significance

In the nucleus of eukaryotic cells, the genome is organized in three dimensions in an architecture that depends on cell type. This organization is a key element of transcriptional regulation, and its disruption often leads to disease. We demonstrate that it is possible to predict how a genome will fold based on the epigenetic marks that decorate chromatin. Epigenetic marking patterns are used to predict the corresponding ensemble of 3D structures by leveraging both energy landscape theory and neural network-based machine learning. These predictions are extensively validated by the results of DNA-DNA ligation assays and fluorescence microscopy, which are found to be in exceptionally good agreement with theory.
Investigation of electro-thermal property of Cu-MWCNT-coated 316L stainless steel
Authors: Mandal Prosun , Mondal Subhas Chandra
Published: October 2017

Stainless steel is a material with high toughness, high ductility and easy formability but it suffers from low electrical and thermal conductivity. In this paper, an attempt has been made for deposition of copper-based multi-walled carbon nanotubes (MWCNTs) composite coatings on the surface of stainless steel plate by the direct current electrodeposition method to enhance the electrical and thermal properties. Cetyl tri-methyl ammonium bromide, a cationic dispersing agent, is applied in the electrolytic bath to prevent aggregation of carbon nanotubes. The microstructure and compositional analysis of the developed Cu-MWCNT coating were investigated by scanning electron microscopy and energy-dispersive X-ray spectroscopy. The electrical conductivity of Cu-MWCNT composite-coated stainless-steel specimen is found to be 183% greater than the uncoated stainless-steel specimen and 58% high compared with the copper-coated stainless steel specimen. Thermal conductivity of Cu-MWCNT composite-coated stainless-steel specimen also improved compared with copper-coated and uncoated stainless-steel.