bluuebunny/crossref_metadata_2025 huggingface dataset:
A Methodology to Quantify the Geometrical Complexity of the Abdominal Aortic Aneurysm
Authors: Kyriakou Faidon , Dempster William , Nash David
Published: November 2019

The abdominal aortic aneurysm (AAA) anatomy influences the technical success of the endovascular aneurysm repair (EVAR), yet very few data regarding the aortic tree angles exist in the literature. This poses great limitations in the numerical analyses of endografts, constraining their design improvement as well as the identification of their operational limitations. In this study, a matrix Φ of 10 angles was constructed for the description of the pathological region and was implemented on a large dataset of anatomies. More specifically, computed tomography angiographies from 258 patients were analysed and 10 aortic angles were calculated per case, able to adequately describe the overall AAA shape. 9 dimensional variables (i.e. diameters and lengths) were also recorded. The median and extreme values of these variables were computed providing a detailed quantification of the geometrical landscape of the AAA. Moreover, statistical analysis showed that the identified angles presented no strong correlation with each other while no lateral or anterior/posterior symmetry of the AAA was identified. These findings suggest that endograft designers are free to construct any extreme case-studies with the values provided in a mix-and-match manner. This strategy can have a powerful effect in EVAR stent graft designing, as well as EVAR planning.
The type-reproduction number of sexually transmitted infections through heterosexual and vertical transmission
Authors: Ito Hiromu , Yamamoto Taro , Morita Satoru
Published: November 2019

Multiple sexually transmitted infections (STIs) have threatened human health for centuries. Most STIs spread not only through sexual (horizontal) transmission but also through mother-to-child (vertical) transmission. In a previous work (Itoet al. 2019), we studied a simple model including heterosexual and mother-to-child transmission and proposed a formulation of the basic reproduction number over generations. In the present study, we improved the model to take into account some factors neglected in the previous work: adult mortality from infection, infant mortality caused by mother-to-child transmission, infertility or stillbirth caused by infection, and recovery with treatment. We showed that the addition of these factors has no essential effect on the theoretical formulation. To study the characteristics of the epidemic threshold, we derived analytical formulas for three type-reproduction numbers for adult men, adult women and juveniles. Our result indicates that if an efficient vaccine exists for a prevalent STI, vaccination of females is more effective for containment of the STI than vaccination of males, because the type-reproduction number for adult men is larger than that for adult women when they are larger than one.
Histone deacetylase inhibitors with high in vitro activities against Plasmodium falciparum isolates collected from Gabonese children and adults
Authors: Koehne Erik , Kreidenweiss Andrea , Zoleko Manego Rella , McCall Matthew , Mombo-Ngoma Ghyslain , Mackwitz Marcel Karl Walter , Hansen Finn K. , Held Jana
Published: November 2019

Histone deacetylase (HDAC) enzymes are targets for the development of antimalarial drugs with a different mode of action to established antimalarials. Broad-spectrum HDAC-inhibitors show high potency against Plasmodium falciparum, but displayed some toxicity towards human cells. Inhibitors of human HDAC6 are new drug candidates with supposed reduced toxicity to human cells and favorable activities against laboratory P. falciparum strains. We investigated the potency of 12 peptoid-based HDAC-inhibitors against asexual stages of P. falciparum clinical isolates. Parasites representing different genetic backgrounds were isolated from adults and children with uncomplicated malaria in Gabon. Clinical studies on (non-HDAC-inhibitors) antimalarials, moreover, found lower drug efficacy in children, mainly attributed to acquired immunity with age in endemic areas. Therefore, we compared the in vitro sensitivity profiles of adult- and child-derived isolates to antimalarials (HDAC and standard drugs). All HDAC-inhibitors showed 50% inhibitory concentrations at nanomolar ranges with higher activities than the FDA approved reference HDAC-inhibitor SAHA. We propose peptoid-based HDAC6-inhibitors to be lead structures for further development as antimalarial chemotherapeutics. Our results further suggest no differences in activity of the tested antimalarials between P. falciparum parasites isolated from children and adults.
Multisensory integration in virtual interactions with distant objects
Authors: Kirsch Wladimir , Kunde Wilfried
Published: November 2019

Statistically optimal integration of multimodal signals is known to take place in direct interactions with environmental objects. In the present study we tested whether the same mechanism is responsible for perceptual biases observed in a task, in which participants enclose visual objects by manually controlled visual cursors. We manipulated the relative reliability of visual object information and measured the impact of body-related information on object perception as well as the perceptual variability. The results were qualitatively consistent with statistically optimal sensory integration. However, quantitatively, the observed bias and variability measures systematically differed from the model predictions. This outcome indicates a compensatory mechanism similar to the reliability-based weighting of multisensory signals which could underlie action’s effects in visual perception reported in diverse context conditions.
Unsupervised machine-learning classification of electrophysiologically active electrodes during human cognitive task performance
Authors: Saboo Krishnakant V. , Varatharajah Yogatheesan , Berry Brent M. , Kremen Vaclav , Sperling Michael R. , Davis Kathryn A. , Jobst Barbara C. , Gross Robert E. , Lega Bradley , Sheth Sameer A. , Worrell Gregory A. , Iyer Ravishankar K. , Kucewicz Michal T.
Published: November 2019

Identification of active electrodes that record task-relevant neurophysiological activity is needed for clinical and industrial applications as well as for investigating brain functions. We developed an unsupervised, fully automated approach to classify active electrodes showing event-related intracranial EEG (iEEG) responses from 115 patients performing a free recall verbal memory task. Our approach employed new interpretable metrics that quantify spectral characteristics of the normalized iEEG signal based on power-in-band and synchrony measures. Unsupervised clustering of the metrics identified distinct sets of active electrodes across different subjects. In the total population of 11,869 electrodes, our method achieved 97% sensitivity and 92.9% specificity with the most efficient metric. We validated our results with anatomical localization revealing significantly greater distribution of active electrodes in brain regions that support verbal memory processing. We propose our machine-learning framework for objective and efficient classification and interpretation of electrophysiological signals of brain activities supporting memory and cognition.
Defective Proliferation and Osteogenic Potential with Altered Immunoregulatory phenotype of Native Bone marrow-Multipotential Stromal Cells in Atrophic Fracture Non-Union
Authors: El-Jawhari Jehan J. , Kleftouris George , El-Sherbiny Yasser , Saleeb Hany , West Robert M. , Jones Elena , Giannoudis Peter V.
Published: November 2019

Bone marrow-Multipotential stromal cells (BM-MSCs) are increasingly used to treat complicated fracture healing e.g., non-union. Though, the quality of these autologous cells is not well characterized. We aimed to evaluate bone healing-related capacities of non-union BM-MSCs. Iliac crest-BM was aspirated from long-bone fracture patients with normal healing (U) or non-united (NU). Uncultured (native) CD271highCD45low cells or passage-zero cultured BM-MSCs were analyzed for gene expression levels, and functional assays were conducted using culture-expanded BM-MSCs. Blood samples were analyzed for serum cytokine levels. Uncultured NU-CD271highCD45low cells significantly expressed fewer transcripts of growth factor receptors, EGFR, FGFR1, and FGRF2 than U cells. Significant fewer transcripts of alkaline phosphatase (ALPL), osteocalcin (BGLAP), osteonectin (SPARC) and osteopontin (SPP1) were detected in NU-CD271highCD45low cells. Additionally, immunoregulation-related markers were differentially expressed between NU- and U-CD271highCD45low cells. Interestingly, passage-zero NU BM-MSCs showed low expression of immunosuppressive mediators. However, culture-expanded NU and U BM-MSCs exhibited comparable proliferation, osteogenesis, and immunosuppression. Serum cytokine levels were found similar for NU and U groups. Collectively, native NU-BM-MSCs seemed to have low proliferative and osteogenic capacities; therefore, enhancing their quality should be considered for regenerative therapies. Further research on distorted immunoregulatory molecules expression in BM-MSCs could potentially benefit the prediction of complicated fracture healing.
Evolution of native defects in ZnO nanorods irradiated with hydrogen ion
Authors: Wu Tengfei , Wang Aiji , Zheng Li , Wang Guangfu , Tu Qingyun , Lv Bowen , Liu Zilin , Wu Zhenglong , Wang Yinshu
Published: November 2019

This work reports the study on the evolution of native defects in ZnO nanorods irradiated with hydrogen ion. ZnO nanorod arrays grown vertically on silicon substrates were irradiated by 180 keV H+ ions to a total fluence of 8.50 × 1015 ions/cm2. The X-ray diffraction spectra, photoluminescence spectra before and after irradiation and the real-time ionoluminescence spectra of the nanorod arrays during the irradiating process were measured. Formation and evolution of defects during H+ ion irradiation and effects of irradiation on the crystal structure and optical property were studied. Blue shift of exciton emission, shrink of lattice c and improvement of the crystallinity of ZnO nanorods after irradiation were observed. Simple surface passivation of the nanorods could improve the radiation resistance. Formation and evolution of the defects during H+ ion irradiation could be clarified into four stages and the related models are provided.
Lupus-like Disease in FcγRIIB−/− Mice Induces Osteopenia
Authors: Visitchanakun Peerapat , Saiworn Worasit , Jongwattanapisan Prapaporn , Leelahavanichkul Asada , Pisitkun Prapaporn , Lotinun Sutada
Published: November 2019

Osteoporotic fracture is a major cause of morbidity in patients with systemic lupus erythematosus (SLE). Mice lacking Fc gamma receptor IIb (FcγRIIB) spontaneously develop lupus-like disease or SLE at 6-month-old. The aim of this study was to investigate whether FcγRIIB deletion induces osteopenia. μCT analysis indicated that deleting FcγRIIB did not affect cancellous bone microarchitecture in 3-month-old mice in which SLE had not yet developed. However, 6- and 10-month-old FcγRIIB−/− males that developed an SLE-like phenotype were osteopenic and FcγRIIB deletion resulted in decreased cancellous bone volume. Histomorphometry confirmed a significant decrease in cancellous bone volume in 6- and 10-month-old FcγRIIB−/− males. The osteoclast number was increased without any change in osteoblast number. In vitro assays indicated that deleting FcγRIIB increased osteoclast differentiation while alkaline phosphatase activity and mineralization were unaltered. These changes were associated with increases in steady-state mRNA levels for the osteoclast marker genes Trap and Ctsk. Moreover, FcγRIIB−/− mice had higher level of serum TNFα, a proinflammatory cytokine. A soluble TNFα receptor, etanercept, prevented cancellous bone loss in FcγRIIB−/− mice. Our results indicate that FcγRIIB indirectly regulates cancellous bone homeostasis following SLE development. FcγRIIB deletion induces inflammatory bone loss due to increased TNFα-mediated bone resorption without any change in bone formation in mice with SLE-like syndrome.
An Early Intestinal Cancer Prediction Algorithm Based on Deep Belief Network
Authors: Wan Jing-Jing , Chen Bo-Lun , Kong Yi-Xiu , Ma Xing-Gang , Yu Yong-Tao
Published: November 2019

The incidence of colorectal cancer (colorectal cancer, CRC) in China has increased in recent years, and its mortality rate has become one of the highest among all cancers. CRC also increasingly affects people’s health and quality of life, and the workloads of medical doctors have further increased due to the lack of sufficient medical resources in China. The goal of this study was to construct an automated expert system using a deep learning technique to predict the probability of early stage CRC based on the patient’s case report and the patient’s attributes. Compared with previous prediction methods, which are either based on sophisticated examinations or have high computational complexity, this method is shown to provide valuable information such as suggesting potentially important early signs to assist in early diagnosis, early treatment and prevention of CRC, hence helping medical doctors reduce the workloads of endoscopies and other treatments.
Bone marrow adipose tissue does not express UCP1 during development or adrenergic-induced remodeling
Authors: Craft Clarissa S. , Robles Hero , Lorenz Madelyn R. , Hilker Eric D. , Magee Kristann L. , Andersen Thomas L. , Cawthorn William P. , MacDougald Ormond A. , Harris Charles A. , Scheller Erica L.
Published: November 2019

Adipocytes within the skeleton are collectively termed bone marrow adipose tissue (BMAT). BMAT contributes to peripheral and local metabolism, however, its capacity for cell-autonomous expression of uncoupling protein 1 (UCP1), a biomarker of beige and brown adipogenesis, remains unclear. To overcome this, Ucp1-Cre was used to drive diphtheria toxin expression in cells expressing UCP1 (Ucp1Cre+/DTA+). Despite loss of brown adipose tissue, BMAT volume was not reduced in Ucp1Cre+/DTA+ mice. Comparably, in mTmG reporter mice (Ucp1Cre+/mTmG+), Ucp1-Cre expression was absent from BMAT in young (3-weeks) and mature (16-weeks) male and female mice. Further, β3-agonist stimulation failed to induce Ucp1-Cre expression in BMAT. This demonstrates that BMAT adipocytes are not UCP1-expressing beige/brown adipocytes. Thus, to identify novel and emerging roles for BMAT adipocytes in skeletal and whole-body homeostasis, we performed gene enrichment analysis of microarray data from adipose tissues of adult rabbits. Pathway analysis revealed genetic evidence for differences in BMAT including insulin resistance, decreased fatty acid metabolism, and enhanced contributions to local processes including bone mineral density through candidate genes such as osteopontin. In sum, this supports a paradigm by which BMAT adipocytes are a unique subpopulation that is specialized to support cells within the skeletal and hematopoietic niche.
Deterministic and time resolved thermo-magnetic switching in a nickel nanowire
Authors: Proenca M. P. , Muñoz M. , Villaverde I. , Migliorini A. , Raposo V. , Lopez-Diaz L. , Martinez E. , Prieto J. L.
Published: November 2019

Heating a ferromagnetic material is often perceived as detrimental for most applications. This is indeed the case for modern nano-scaled spintronic devices which are operated solely (at least ideally) by an electric current. Heat is a by-product of the current-driven operation and it deteriorates many functionalities of the device. A large scientific and technological effort is devoted these days to avoid heat in modern magnetic nano devices. Here we show that heat can be used to provide an additional and useful degree of freedom in the control of the local magnetization at the nanoscale. In a ferromagnetic nanowire, temperature is used to induce a magnetic switching through a perfectly deterministic mechanism. The nucleation of the magnetic domain walls that triggers the switching can be achieved at a field considerably smaller than the nucleation field and, importantly, the exact moment of the magnetic switching can be pre-determined with nanosecond precision by controlling the power delivered locally to the switching area. With the help of micromagnetic simulations and a theoretical model, we provide an accurate explanation of how this deterministic thermo-magnetic switching operates. The concepts described in this work may lead to an increased functionality in magnetic nano-devices based on magnetic domain walls.
Author Correction: Simulation of visual acuity by personalizable neuro-physiological model of the human eye
Authors: Fülep Csilla , Kovács Illés , Kránitz Kinga , Erdei Gábor
Published: November 2019

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Better monsoon precipitation in coupled climate models due to bias compensation
Authors: Yang Ben , Zhang Yaocun , Qian Yun , Song Fengfei , Leung L. Ruby , Wu Peili , Guo Zhun , Lu Yixiong , Huang Anning
Published: November 2019

Monsoon precipitation is a dominant driver of floods and droughts over East Asia, which affect billions of people. The lack of air-sea coupling has been blamed for the poor East Asian monsoon precipitation simulations in atmosphere-only models because coupled models generally do better. Based on analysis of simulations from 18 pairs of atmosphere-only and coupled models from the Coupled Model Intercomparison Project phase 5, we show that the improved monsoon precipitation in coupled models is largely due to compensation from sea surface temperature (SST) biases that originate from atmosphere model biases. Such bias compensation is demonstrated using surface energy budgets and a process chain to improve both the climatological mean and interannual precipitation patterns in coupled models. Models with larger atmosphere model errors benefit more from coupling and models with smaller errors benefit less. Hence the key to simultaneously improving the simulations of East Asian monsoon precipitation and SST is a better atmosphere model.
Many-body effects in doped WS2 monolayer quantum disks at room temperature
Authors: Lin T. N. , Santiago S. R. M. , Caigas S. P. , Yuan C. T. , Lin T. Y. , Shen J. L. , Chen Y. F.
Published: November 2019

Due to strong Coulomb interactions, reduced screening effects, and quantum confinement, transition-metal dichalcogenide (TMD) monolayer quantum disks (MQDs) are expected to exhibit large exciton binding energy, which is beneficial for the investigation of many-body physics at room temperature. Here, we report the first observations of room-temperature many-body effects in tungsten disulfide (WS2) MQDs by both optical measurements and theoretical studies. The band-gap renormalization in WS2 MQDs was about 250 ± 15 meV as the carrier density was increased from 0.6(±0.2) × 1012 to 8.3(±0.2) × 1012 cm−2. We observed a striking exciton binding energy as large as 990 ± 30 meV at the lowest carrier density, which is larger than that in WS2 monolayers. The huge exciton binding energy in WS2 MQDs is attributed to the extra quantum confinement in the lateral dimension. The band-gap renormalization and exciton binding energies are explained using efficient reduced screening. On the basis of the Debye screening formula, the Mott density in WS2 MQDs was estimated to be ~3.95 × 1013 cm−2. Understanding and manipulation of the many-body effects in two-dimensional materials may open up new possibilities for developing exciton-based optoelectronic devices.
Mitochondria-enriched protrusions are associated with brain and intestinal stem cells in Drosophila
Authors: Endow Sharyn A. , Miller Sara E. , Ly Phuong Thao
Published: November 2019

Brain stem cells stop dividing in late Drosophila embryos and begin dividing again in early larvae after feeding induces reactivation. Quiescent neural stem cells (qNSCs) display an unusual cytoplasmic protrusion that is no longer present in reactivated NSCs. The protrusions join the qNSCs to the neuropil, brain regions that are thought to maintain NSCs in an undifferentiated state, but the function of the protrusions is not known. Here we show that qNSC protrusions contain clustered mitochondria that are likely maintained in position by slow forward-and-backward microtubule growth. Larvae treated with a microtubule-stabilizing drug show bundled microtubules and enhanced mitochondrial clustering in NSCs, together with reduced qNSC reactivation. We further show that intestinal stem cells contain mitochondria-enriched protrusions. The qNSC and intestinal stem-cell protrusions differ from previously reported cytoplasmic extensions by forming stem-cell-to-niche mitochondrial bridges that could potentially both silence genes and sense signals from the stem cell niche.
A TonB-dependent receptor constitutes the outer membrane transport system for a lignin-derived aromatic compound
Authors: Fujita Masaya , Mori Kosuke , Hara Hirofumi , Hishiyama Shojiro , Kamimura Naofumi , Masai Eiji
Published: November 2019

TonB-dependent receptors (TBDRs) mediate substrate-specific transport across the outer membrane, utilizing energy derived from the proton motive force transmitted from the TonB−ExbB−ExbD complex located in the inner membrane (TonB system). Although a number of TonB systems involved in the uptake of siderophores, vitamin B12 and saccharides have been identified, their involvement in the uptake and catabolism of aromatic compounds was previously unknown. Here, we show that the outer membrane transport of a biphenyl compound derived from lignin is mediated by the TonB system in a Gram-negative bacterium capable of degrading lignin-derived aromatic compounds, Sphingobium sp. strain SYK-6. Furthermore, we found that overexpression of the corresponding TBDR gene enhanced the uptake of this biphenyl compound, contributing to the improved rate of platform chemical production. Our results will provide an important basis for establishing engineered strains optimized for use in lignin valorisation.
Genetic variation associated with infection and the environment in the accidental pathogen Burkholderia pseudomallei
Authors: Chewapreecha Claire , Mather Alison E. , Harris Simon R. , Hunt Martin , Holden Matthew T. G. , Chaichana Chutima , Wuthiekanun Vanaporn , Dougan Gordon , Day Nicholas P. J. , Limmathurotsakul Direk , Parkhill Julian , Peacock Sharon J.
Published: November 2019

The environmental bacterium Burkholderia pseudomallei causes melioidosis, an important endemic human disease in tropical and sub-tropical countries. This bacterium occupies broad ecological niches including soil, contaminated water, single-cell microbes, plants and infection in a range of animal species. Here, we performed genome-wide association studies for genetic determinants of environmental and human adaptation using a combined dataset of 1,010 whole genome sequences of B. pseudomallei from Northeast Thailand and Australia, representing two major disease hotspots. With these data, we identified 47 genes from 26 distinct loci associated with clinical or environmental isolates from Thailand and replicated 12 genes in an independent Australian cohort. We next outlined the selective pressures on the genetic loci (dN/dS) and the frequency at which they had been gained or lost throughout their evolutionary history, reflecting the bacterial adaptability to a wide range of ecological niches. Finally, we highlighted loci likely implicated in human disease.
Author Correction: High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity
Authors: Zhu Wen , Radadiya Ashish , Bisson Claudine , Wenzel Sabine , Nordin Brian E. , Martínez-Márquez Francisco , Imasaki Tsuyoshi , Sedelnikova Svetlana E. , Coricello Adriana , Baumann Patrick , Berry Alexandria H. , Nomanbhoy Tyzoon K. , Kozarich John W. , Jin Yi , Rice David W. , Takagi Yuichiro , Richards Nigel G. J.
Published: November 2019

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Reaction parameter comparison and optimization of multiple displacement amplification
Authors: Huang Mengting , Yang Fang , Fu Jiye , Xiao Pengfeng , Tu Jing , Lu Zuhong
Published: November 2019

After analysed MDA under different conditions, we found that different DNA denaturation methods before isothermal incubation can influence the amplification speed of MDA, and genome coverage uniformity was correlated with the amplification temperature.
A water soluble carbazolyl-BODIPY photosensitizer with an orthogonal D–A structure for photodynamic therapy in living cells and zebrafish
Authors: Wang Chengjun , Qian Ying
Published: November 2019

A photosensitizer Cz-BODIPY with an orthogonal D–A structure was developed and displayed promising potential in real PDT application.
A self-assembling amphiphilic dendrimer nanotracer for SPECT imaging
Authors: Ding Ling , Lyu Zhenbin , Tintaru Aura , Laurini Erik , Marson Domenico , Louis Beatrice , Bouhlel Ahlem , Balasse Laure , Fernandez Samantha , Garrigue Philippe , Mas Eric , Giorgio Suzanne , Pricl Sabrina , Guillet Benjamin , Peng Ling
Published: November 2019

An amphiphilic dendrimer bearing SPECT imaging reporters is self-assembled into supramolecular nanomicelles for effective tumor imaging.
An ionic liquid incorporated in a quasi-solid-state electrolyte for high-temperature supercapacitor applications
Authors: Lee Jeong Han , Chae Ji Su , Jeong Jun Hui , Ahn Hyo-Jun , Roh Kwang Chul
Published: November 2019

An ionic liquid incorporated in a cross-linked quasi-solid-state electrolyte is prepared for high-temperature application of supercapacitors.
A new type of composite MOFs based on high-valent Sb(v)-based units and cuprous-halide clusters
Authors: Lin Li-Dan , Li Zhong , Liu Jin-Hua , Sun Yan-Qiong , Li Xin-Xiong , Zheng Shou-Tian
Published: November 2019

In this work, an unusual high-valent Sb(v)-based [SbL2]− unit was developed for the first time to combine with various cuprous-halide clusters for the construction of a brand-new class of heterometallic MOFs.
Recent advances in transition metal based compound catalysts for water splitting from the perspective of crystal engineering
Authors: Ju Min , Wang Xiaoting , Long Xia , Yang Shihe
Published: November 2019

A review of the recent progress on the transition metal based catalysts for water splitting with emphasis on crystal engineering.
Ionic liquid-mediated low-temperature formation of hexagonal titanium-oxyhydroxyfluoride particles
Authors: Voepel Pascal , Sieland Melanie , Yue Junpei , Djerdj Igor , Smarsly Bernd M.
Published: November 2019

We present a low-temperature synthesis of Ti(OH)OF in ionic liquids, and its structure and electrochemical properties were elucidated.
The pH dependent mechanisms of non-enzymatic peptide bond cleavage reactions
Authors: Sun Yi , Frenkel-Pinter Moran , Liotta Charles L. , Grover Martha A.
Published: November 2019

Peptide cleavage can occur through scission and backbiting, depending on the pH.
Prediction of two-dimensional PC6 as a promising anode material for potassium-ion batteries
Authors: Dou Kaiying , Ma Yandong , Zhang Ting , Huang Baibiao , Dai Ying
Published: November 2019

We propose that the PC6 monolayer is a promising anode material for potassium ion batteries due to its several favorable properties.
A new methodology for a detailed investigation of quantized friction in ionic liquids
Authors: Lhermerout Romain , Perkin Susan
Published: November 2019

When confined at the nanoscale between smooth surfaces, an ionic liquid forms a structured film responding to shear in a quantized way,i.e.with a friction coefficient indexed by the number of layers in the gap.
Polarizable MD simulations of ionic liquids: How does additional charge transfer change the dynamics?
Authors: Schröder Christian , Lyons Alex , Rick Steven W.
Published: November 2019

A new model for treating charge transfer in ionic liquids is developed and applied to 1-ethyl-3-methylimidazolium tetrafluoroborate. The model allows for us to examine the roles of charge transfer, polarizability, and charge scaling effects on the dynamics of ionic liquids.
Magnetic anisotropy of iridium dimers on two-dimensional materials
Authors: Guo Miaomiao , Liang Xiaoqing , Wang Han , Zhang Junfeng
Published: November 2019

The magnetic anisotropy energy of Ir2 dimers on germanene with different adsorption sites and areal densities.
First-principles prediction of large thermoelectric efficiency in superionic Li2SnX3 (X = S, Se)
Authors: Haque Enamul , Cazorla Claudio , Hossain M. Anwar
Published: November 2019

Thermoelectric materials can be used to harvest waste heat into electricity and in thermal management applications. A new family of Li-based fast-ion conductors are shown to be promising thermoelectric materials.
Stabilizing atomic Pt with trapped interstitial F in alloyed PtCo nanosheets for high-performance zinc-air batteries
Authors: Li Zhao , Niu Wenhan , Yang Zhenzhong , Zaman Nusaiba , Samarakoon Widitha , Wang Maoyu , Kara Abdelkader , Lucero Marcos , Vyas Manasi V. , Cao Hui , Zhou Hua , Sterbinsky George E. , Feng Zhenxing , Du Yingge , Yang Yang
Published: November 2019

A novel strategy is designed to stabilize atomic Pt catalysts in alloyed platinum cobalt nanosheets with trapped interstitial fluorine (SA-PtCoF) for zinc-air batteries.
Hydrophilic trace organic contaminants in urban stormwater: occurrence, toxicological relevance, and the need to enhance green stormwater infrastructure
Authors: Spahr Stephanie , Teixidó Marc , Sedlak David L. , Luthy Richard G.
Published: November 2019

Urban stormwater transports hydrophilic trace organic contaminants that need study to ensure safe stormwater discharge or stormwater harvesting for water supply.
Alginate and HM-pectin in sports-drink give rise to intra-gastric gelation in vivo
Authors: Marciani Luca , Lopez-Sanchez Patricia , Pettersson Stefan , Hoad Caroline , Abrehart Nichola , Ahnoff Martin , Ström Anna
Published: November 2019

A polysaccharide drink containing 14% maltodextrin/fructose shows in vivo gelling behaviour as evidenced by magnetic resonance imaging.
Rapid exfoliation for few-layer enriched black phosphorus dispersion via a superhydrophobic silicon-nanowire-embedded microfluidic process
Authors: Choi Chang-Ho , Ko Dong-Hyeon , Jun Ho Young , Ryu Si Ok , Kim Dong-Pyo
Published: November 2019

The strategic separation between the fragmentation and the delamination under the controlled cavitation effect leads to rapid production of few-layer enriched BP flakes with high uniformity in an aqueous medium.
Pentanoic acid from γ-valerolactone and formic acid using bifunctional catalysis
Authors: Al-Naji Majd , Van Aelst Joost , Liao Yuhe , d'Hullian Martin , Tian Zhipeng , Wang Chenguang , Gläser Roger , Sels Bert F.
Published: November 2019

The production of pentanoic acid from γ-valerolactone and the one-pot route from levulinic acid both over bifunctional catalyst with formic acid as H2 source is an example for an integrated biorefinery in the direction to an industrial application.
Efficient reductive amination of HMF with well dispersed Pd nanoparticles immobilized in a porous MOF/polymer composite
Authors: Karve Vikram V. , Sun Daniel T. , Trukhina Olga , Yang Shuliang , Oveisi Emad , Luterbacher Jeremy , Queen Wendy L.
Published: November 2019

Making heterogeneous catalysis greener by improving nanoparticle stability in a MOF support modified with short polymeric chains.
A tannin-derived zirconium-containing porous hybrid for efficient Meerwein–Ponndorf–Verley reduction under mild conditions
Authors: Leng Yan , Shi Langchen , Du Shengyu , Jiang Jiusheng , Jiang Pingping
Published: November 2019

Tannin-derived zirconium-containing porous hybrid exhibits excellent activity and stability for Meerwein–Ponndorf–Verley reduction under mild conditions.
Preparation and clinical translation of99mTc-PSMA-11 for SPECT imaging of prostate cancer
Authors: Vats Kusum , Agrawal Kanhaiyalal , Sharma Rohit , Sarma Haladhar Dev , Satpati Drishty , Dash Ashutosh
Published: November 2019

This study explores the feasibility of radiolabeling the HBED-CC-PSMA (PSMA-11) ligand with Tc-99m for SPECT imaging of prostate cancer patients.
Three dimensional Ni3S2 nanorod arrays as multifunctional electrodes for electrochemical energy storage and conversion applications
Authors: Cui Kexin , Fan Jincheng , Li Songyang , Khadidja Moukaila Fatiya , Wu Jianghong , Wang Mingyu , Lai Jianxin , Jin Hongguang , Luo Wenbin , Chao Zisheng
Published: November 2019

3D Ni3S2 nanorod arrays/Ni foam as multifunctional electrodes for electrochemical energy storage and conversion applications have been achieved, demonstrating outstanding galvanization charging/discharging, hydrogen evolution reaction and oxygen evolution reaction performances.
Anisotropic and magnetic properties in non-metal and non-radical organic aggregates of tri-substituted phenyl derivatives
Authors: Tun Nur Iskandar Nur Amanina Juniasari , Guan-Yeow Yeap , Maeta Nobuyuki , Ito Masato M. , Nakamura Yoshiyuki , Gas Katarzyna , Sawicki Maciej
Published: November 2019

A new series of tri-substituted phenyl derivatives containing an aromatic imine unit and biphenyl ester possessing various numbers of carbon atoms at the terminal alkoxy chain, OCnH2n+1(n= 7–12), along with a lateralo-ethoxy substituent.
A MOF functionalized with CdTe quantum dots as an efficient white light emitting phosphor material for applications in displays
Authors: Mondal Tuhina , Haldar Dhrubaa , Ghosh Arnab , Ghorai Uttam Kumar , Saha Shyamal K.
Published: November 2019

Cysteamine capped CdTe QD functionalized CP1 as a white light emitter in LED applications.
Hierarchical construction and characterization of lanthanum molybdate nanospheres as an unassailable electrode material for electrocatalytic sensing of the antibiotic drug nitrofurantoin
Authors: Karuppaiah Balamurugan , Ramachandran Rajakumaran , Chen Shen-Ming , Wan-Ling Shih , Wan Jun Yu
Published: November 2019

In this work, lanthanum molybdate nanospheres (LMNSs) were prepared by employing a co-precipitation methodology, and their electrochemical activity against nitrofurantoin (NF) was reported.
Bimetal–organic framework MIL-53(Co–Fe): an efficient and robust electrocatalyst for the oxygen evolution reaction
Authors: Xie Maowen , Ma Yan , Lin Dunmin , Xu Chenggang , Xie Fengyu , Zeng Wen
Published: November 2019

MIL-53(Co–Fe)/NF behaves as a durable catalytic electrode for water oxidation, offering 100 mA cm−2 at an overpotential of only 262 mV.
Orthogonal deposition of Au on different facets of Ag cuboctahedra for the fabrication of nanoboxes with complementary surfaces
Authors: Ahn Jaewan , Kim Junki , Qin Dong
Published: November 2019

We report the fabrication of Ag–Au cuboctahedral nanoboxes enclosed by {100} and {111} facets, respectively, through the orthogonal deposition of Au on two different facets of Ag cuboctahedra.
A Ni/Fe-based heterometallic phthalocyanine conjugated polymer for the oxygen evolution reaction
Authors: Qi Dongdong , Chen Xin , Liu Wenping , Liu Chenxi , Liu Wenbo , Wang Kang , Jiang Jianzhuang
Published: November 2019

A Ni/Fe-based heterometallic phthalocyanine polymer Fe0.5Ni0.5Pc-CP has been prepared, exhibiting high catalytic activity towards the oxygen evolution reaction due to the electronic interactions between the neighboring Fe and Ni atoms.
Practical fluorothiolation and difluorothiolation of alkenes using pyridine-HF and N-thiosuccinimides
Authors: Liu Shiwen , Zeng Xiaojun , Xu Bo
Published: November 2019

Fluorothiolation and difluorothiolation of alkenes using pyridine-HF and N-thiosuccinimides.
New insights into the organic fouling mechanism of an in situ Ca2+ modified thin film composite forward osmosis membrane
Authors: Hao Xiujuan , Gao Shanshan , Tian Jiayu , Wang Songxue , Zhang Huizhong , Sun Yan , Shi Wenxin , Cui Fuyi
Published: November 2019

In this study, the effect of organic substances on the fouling behavior of a thin film composite (TFC) membrane with in situ Ca2+ addition (TFC-Ca membrane) was evaluated.
Self-assembled pearl-necklace patterned upconverting nanocrystals with highly efficient blue and ultraviolet emission: femtosecond laser based upconversion properties
Authors: Modak Monami Das , Damarla Ganesh , Maity Somedutta , Chaudhary Anil K. , Paik Pradip
Published: November 2019

Self-assembled pearl necklace patterned-upconverting nanoparticles and their femtosecond laser based upconversion properties.
Highly sensitive and specific screening of EGFR mutation using a PNA microarray-based fluorometric assay based on rolling circle amplification and graphene oxide
Authors: Xu Xiaojun , Xing Shu , Xu Mengjia , Fu Pan , Gao Tingting , Zhang Xiaokang , Zhao Yang , Zhao Chao
Published: November 2019

A facile peptide nucleic acid microarray-based fluorometric method was developed for sensitive and specific detection of EGFR mutation by using rolling circle amplification, graphene oxide, and a fluorescently-labeled detection probe.
Micro-to-nanometer patterning of solution-based materials for electronics and optoelectronics
Authors: Suh Yo-Han , Shin Dong-Wook , Chun Young Tea
Published: November 2019

Technologies for micro-to-nanometer patterns of solution-based materials (SBMs) contribute to a wide range of practical applications in the fields of electronics and optoelectronics.
Retracted Article: Long non-coding RNA MEG3 inhibits cell proliferation, migration, invasion and enhances apoptosis in non-small cell lung cancer cells by regulating the miR-31-5p/TIMP3 axis
Authors: Li Kui , Wang Xiaodan , Huang Zhen , Xu Hui , Zheng Songbai , Qiu Yurong
Published: November 2019

Non-small cell lung cancer (NSCLC) is a malignant lung cancer and accounts for 80% of lung cancer-related deaths.
Synthesis of a semi-conductor-like MOF with black phosphorous as a composite for visible light-driven photocatalysis
Authors: Hlophe Philani Vusumuzi , Dlamini Langelihle Nsikayezwe
Published: November 2019

The fabrication of nanocomposites of a metal–organic framework with two-dimensional materials for photocatalytic water splitting and environmental remediation has been the focus of the scientific community for many years now.
Different phase-dominated chiral assembly of polyfluorenes induced by chiral solvation: axial and supramolecular chirality
Authors: Li Shuai , Miao Tengfei , Cheng Xiaoxiao , Zhao Yin , Zhang Wei , Zhu Xiulin
Published: November 2019

The chiral solvation induced chirality in achiral polyfluorenes showed the axial chirality for PF2/6 with branched side alkyl chain, but supramolecular chirality for PF8 with linear side alkyl chain.
Self-photosensitized [2 + 2] cycloaddition for synthesis of high-energy-density fuels
Authors: Xie Junjian , Zhang Xiangwen , Shi Chengxiang , Pan Lun , Hou Fang , Nie Genkuo , Xie Jiawei , Liu Qing , Zou Ji-Jun
Published: November 2019

High-energy-density fuels are synthesized through self-photosensitized [2 + 2] cycloaddition of isophorone and a wide range of olefins.
Flexible perovskite solar cells fabricated by a gradient heat treatment process
Authors: Xiao Yue Yue , Meng Yongqiang , Gao Hongli , Chen Yichuan , Meng Qi , Bai Yanjie , Wang Hao , Zhang Yongzhe , Yan Hui , Han Chang Bao
Published: November 2019

A gradient heat treatment process can effectively improve the quality of perovskite films and the efficiency of flexible perovskite solar cells.
Metal–organic frameworks: preparation and applications in highly efficient heterogeneous photocatalysis
Authors: Huang Chao-Wei , Nguyen Van-Huy , Zhou Shi-Rong , Hsu Shu-Yu , Tan Jia-Xuan , Wu Kevin C.-W.
Published: November 2019

Metal–organic frameworks (MOFs) attract considerable attention due to tunable structures, tailorable functionalities, and replaceable metal centers, leading to comprehensive applications, such as semiconductors, catalysts, and photocatalysts.
Targeting the lysyl oxidases in tumour desmoplasia
Authors: Chitty Jessica L. , Setargew Yordanos F.I. , Cox Thomas R.
Published: November 2019

The extracellular matrix (ECM) is a fundamental component of tissue microenvironments and its dysregulation has been implicated in a number of diseases, in particular cancer. Tumour desmoplasia (fibrosis) accompanies the progression of many solid cancers, and is also often induced as a result of many frontline chemotherapies. This has recently led to an increased interest in targeting the underlying processes. The major structural components of the ECM contributing to desmoplasia are the fibrillar collagens, whose key assembly mechanism is the enzymatic stabilisation of procollagen monomers by the lysyl oxidases. The lysyl oxidase family of copper-dependent amine oxidase enzymes are required for covalent cross-linking of collagen (as well as elastin) molecules into the mature ECM. This key step in the assembly of collagens is of particular interest in the cancer field since it is essential to the tumour desmoplastic response. LOX family members are dysregulated in many cancers and consequently the development of small molecule inhibitors targeting their enzymatic activity has been initiated by many groups. Development of specific small molecule inhibitors however has been hindered by the lack of crystal structures of the active sites, and therefore alternate indirect approaches to target LOX have also been explored. In this review, we introduce the importance of, and assembly steps of the ECM in the tumour desmoplastic response focussing on the role of the lysyl oxidases. We also discuss recent progress in targeting this family of enzymes as a potential therapeutic approach.
Amphipathic molecules modulate PIEZO1 activity
Authors: Cox Charles D. , Gottlieb Philip A.
Published: November 2019

PIEZO proteins are large eukaryotic mechanically-gated channels that function as homotrimers. The basic PIEZO1 structure has been elucidated by CryoEM and it assembles into a protein–lipid dome. A curved lipid region allows for the transition to the lipid bilayer from the dome (footprint). Gating PIEZO1 is mediated by bilayer tension that induces an area change in the lipid dome. The footprint region is thought to be energetically important for changes in lateral tension. Amphipathic molecules can modulate channel function beyond the intrinsic gating properties of PIEZO1. As a result, molecules that modify lipid properties within the lipid–channel complex (footprint and dome) will profoundly affect channel kinetics. In this review, we summarize the effects some amphipathic molecules have on the lipid bilayer and PIEZO1 function. PIEZO1 has three states, closed, open and inactivated and amphipathic molecules influence these transitions. The amphipathic peptide, GsMTx4, inhibits the closed to open transition. While saturated fatty acids also prevent PIEZO1 gating, the effect is mediated by stiffening the lipids, presumably in both the dome and footprint region. Polyunsaturated fatty acids can increase disorder within the lipid–protein complex affecting channel kinetics. PIEZO1 can also form higher-ordered structures that confers new kinetic properties associated with clustered channels. Cholesterol-rich domains house PIEZO1 channels, and depletion of cholesterol causes a breakdown of those domains with changes to channel kinetics and channel diffusion. These examples underscore the complex effects lipophilic molecules can have on the PIEZO1 lipid dome structure and thus on the mechanical response of the cell.
Attention Performance in People Who Clutter: A Pilot Study
Authors: Gosselin Elizabeth , Ward David
Published: November 2019

Background

Cluttering is a fluency disorder that is mainly characterized by an abnormally rapid or irregular rate of speech. Additional symptoms have also been linked to cluttering, making it challenging to define and diagnose. One such feature contributing to this difficulty is poor attention. However, little evidence exists that explores attention performance in people who clutter (PWC) compared to the typical adult populations. This pilot study aimed to expand the evidence base by using a Stroop task to investigate attention performance in PWC.

Method

Four PWC and 4 gender-matched typical language controls completed a Stroop color-word task that looked specifically at interference and reactive inhibition, 2 aspects of attention. A 2 Groups (typical language controls, PWC) × 4 Conditions (neutral, incongruent, incongruent probe, congruent) repeated-measures analysis of variance was carried out for both dependent variables of reaction time and accuracy.

Results

There were no significant differences between groups for reaction time or accuracy. However, Stroop tasks require large sample sizes to yield significant results. A closer inspection of mean reaction time and accuracy data as well as the pairwise comparisons indicated that PWC performed similarly to controls on the components of the task that investigated interference. However, PWC performed differently on aspects of the task that tested reactive inhibition.

Conclusions

The results from this study indicate that PWC may have reduced inhibition. However, findings are preliminary, and further research with larger cohorts is needed to explore inhibition in PWC. In the interim, greater attention difficulties should not be ruled out and should be given consideration in the diagnosis and management of PWC.
Nonlinear diffusion of cosmic rays escaping from supernova remnants: Cold partially neutral atomic and molecular phases
Authors: Brahimi L. , Marcowith A. , Ptuskin V. S.
Published: November 2019

Aims. We aim to elucidate cosmic ray (CR) propagation in the weakly ionized environments of supernova remnants (SNRs) basing our analysis on the cosmic ray cloud (CRC) model.

Methods. We solved two transport equations simultaneously: one for the CR pressure and one for the Alfvén wave energy density where CRs are initially confined in the SNR shock. Cosmic rays trigger a streaming instability and produce slab-type resonant Alfvén modes. The self-generated turbulence is damped by ion-neutral collisions and by noncorrelated interaction with Alfvén modes generated at large scales.

Results. We show that CRs leaking in cold dense phases such as those found in cold neutral medium (CNM) and diffuse molecular medium (DiM) can still be confined over distances of a few tens of parsecs from the CRC center for a few thousand years. At 10 TeV, CR diffusion can be suppressed by two or three orders of magnitude. This effect results from a reduced ion-neutral collision damping in the decoupled regime. We calculate the grammage of CRs in these environments. We find that in both single and multi-phase setups at 10 GeV, CNM and DiM media can produce grammage in the range 10–20 g cm−2 in the CNM and DiM phases. At 10 TeV, because of nonlinear propagation the grammage increases to values in the range 0.5–20 g cm−2 in these two phases. We also present preliminary calculations in inhomogeneous interstellar medium combining two or three different phases where we obtain the same trends.
Decision support systems for scheduling tasks in Biosystems Engineering
Authors: Knapczyk Adrian , Francik Sławomir , Wróbel Marek , Jewiarz Marcin , Mudryk Krzysztof
Published: November 2019

Modern decision support systems have many applications, including assistance in scheduling tasks. Biosystems engineering combines engineering sciences and physical sciences in order to understand and improve biological systems in agriculture, food production, environment, etc. The work reviews the decision support systems in the aspect of scheduling tasks in the field of biosystems engineering. The analysis was based on documents (articles and proceedings paper) indexed in the Web of Science Core Collection (WoS-CC) database from 1945-2018. The search has been limited to the category of WoS-CC related to agriculture, water resources, food processing, horticulture and forestry. The main research topics, areas of application and methods used were determined. In the analyzed documents, task scheduling was mainly used in irrigation and harvest scheduling. Simple and advanced optimization tools were used.