bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular Dynamics of Lithium Ion Transport in a Model Solid Electrolyte Interphase
Authors: Muralidharan Ajay , Chaudhari Mangesh I. , Pratt Lawrence R. , Rempe Susan B.
Published: July 2018

Li+ transport within a solid electrolyte interphase (SEI) in lithium ion batteries has challenged molecular dynamics (MD) studies due to limited compositional control of that layer. In recent years, experiments and ab initio simulations have identified dilithium ethylene dicarbonate (Li2EDC) as the dominant component of SEI layers. Here, we adopt a parameterized, non-polarizable MD force field for Li2EDC to study transport characteristics of Li+ in this model SEI layer at moderate temperatures over long times. The observed correlations are consistent with recent MD results using a polarizable force field, suggesting that this non-polarizable model is effective for our purposes of investigating Li+ dynamics. Mean-squared displacements distinguish three distinct Li+ transport regimes in EDC — ballistic, trapping, and diffusive. Compared to liquid ethylene carbonate (EC), the nanosecond trapping times in EDC are significantly longer and naturally decrease at higher temperatures. New materials developed for fast-charging Li-ion batteries should have a smaller trapping region. The analyses implemented in this paper can be used for testing transport of Li+ ion in novel battery materials. Non-Gaussian features of van Hove self -correlation functions for Li+ in EDC, along with the mean-squared displacements, are consistent in describing EDC as a glassy material compared with liquid EC. Vibrational modes of Li+ ion, identified by MD, characterize the trapping and are further validated by electronic structure calculations. Some of this work appeared in an extended abstract and has been reproduced with permission from ECS Transactions, 77, 1155–1162 (2017). Copyright 2017, Electrochemical Society, INC.
A spike-modified Middle East respiratory syndrome coronavirus (MERS-CoV) infectious clone elicits mild respiratory disease in infected rhesus macaques
Authors: Cockrell Adam S. , Johnson Joshua C. , Moore Ian N. , Liu David X. , Bock Kevin W. , Douglas Madeline G. , Graham Rachel L. , Solomon Jeffrey , Torzewski Lisa , Bartos Christopher , Hart Randy , Baric Ralph S. , Johnson Reed F.
Published: July 2018

The recurrence of new human cases of Middle East respiratory syndrome coronavirus (MERS-CoV) underscores the need for effective therapeutic countermeasures. Nonhuman primate models are considered the gold standard for preclinical evaluation of therapeutic countermeasures. However, MERS-CoV-induced severe respiratory disease in humans is associated with high viral loads in the lower respiratory tract, which may be difficult to achieve in nonhuman primate models. Considering this limitation, we wanted to ascertain the effectiveness of using a MERS-CoV infectious clone (icMERS-0) previously shown to replicate to higher titers than the wild-type EMC 2012 strain. We observed respiratory disease resulting from exposure to the icMERS-0 strain as measured by CT in rhesus monkeys with concomitant detection of virus antigen by immunohistochemistry. Overall, respiratory disease was mild and transient, resolving by day 30 post-infection. Although pulmonary disease was mild, these results demonstrate for the first time the utility of CT imaging to measure disease elicited by a MERS-CoV infectious clone system in nonhuman primate models.
Evolutionary dynamics of mycorrhizal symbiosis in land plant diversification
Authors: Feijen Frida A. A. , Vos Rutger A. , Nuytinck Jorinde , Merckx Vincent S. F. T.
Published: July 2018

Mycorrhizal symbiosis between soil fungi and land plants is one of the most widespread and ecologically important mutualisms on earth. It has long been hypothesized that the Glomeromycotina, the mycorrhizal symbionts of the majority of plants, facilitated colonization of land by plants in the Ordovician. This view was recently challenged by the discovery of mycorrhiza-like associations with Mucoromycotina in several early diverging lineages of land plants. Utilizing a large, species-level database of plants’ mycorrhiza-like associations and a Bayesian approach to state transition dynamics we here show that the recruitment of Mucoromycotina is the best supported transition from a non-mycorrhizal state. We further found that transitions between different combinations of either or both of Mucoromycotina and Glomeromycotina occur at high rates, and found similar promiscuity among combinations that include either or both of Glomeromycotina and Ascomycota with a nearly fixed association with Basidiomycota. Our results portray an evolutionary scenario of evolution of mycorrhizal symbiosis with a prominent role for Mucoromycotina in the early stages of land plant diversification.
Publisher Correction: Interactions of the Calcite {10.4} Surface with Organic Compounds: Structure and Behaviour at Mineral – Organic Interfaces
Authors: Hakim S. S. , Olsson M. H. M. , Sørensen H. O. , Bovet N. , Bohr J. , Feidenhans’l R. , Stipp S. L. S.
Published: July 2018

A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has been fixed in the paper.
Fabrication of graphene film composite electrochemical biosensor as a pre-screening algal toxin detection tool in the event of water contamination
Authors: Zhang Wei , Jia Baoping , Furumai Hiroaki
Published: July 2018

In this work, we fabricated a novel graphene film composite biosensor for microcystin-LR detection as an alternative to time-consuming, expensive, non-portable and often skills-demanding conventional methods of analysis involved in water quality monitoring and assessment. Excellent linear correlation (R2 = 0.99) of the electron-transfer resistance was achieved over a wide range of microcystin-LR (MC-LR) concentration, i.e. 0.005–10 μg/L. As-prepared graphene film composite biosensors can specifically detect MC-LR with remarkable sensitivity and detection limit (2.3 ng/L) much lower than the World Health Organization (WHO) provisional guideline limit of microcystin-LR concentration (i.e. 1 μg/L) in different water sources. Their great potential can be attributed to large active surface area of graphene film and efficient charge transfer process enabled by their high conductivity. Developed graphene film composite biosensors were also successfully applied to determination of MC-LR in several environmental water samples with high detection recovery, which offers a promising possibility of large-scale manufacture of sensor tips due to their macroscopic free-standing nature, the scalable fabrication route and easily tunable size.
Transient and Persistent UP States during Slow-wave Oscillation and their Implications for Cell-Assembly Dynamics
Authors: Fung Chi Chung Alan , Fukai Tomoki
Published: July 2018

The membrane potentials of cortical neuronsin vivoexhibit spontaneous fluctuations between a depolarized UP state and a resting DOWN state during the slow-wave sleeps or in the resting states. This oscillatory activity is believed to engage in memory consolidation although the underlying mechanisms remain unknown. Recently, it has been shown that UP-DOWN state transitions exhibit significantly different temporal profiles in different cortical regions, presumably reflecting differences in the underlying network structure. Here, we studied in computational models whether and how the connection configurations of cortical circuits determine the macroscopic network behavior during the slow-wave oscillation. Inspired by cortical neurobiology, we modeled three types of synaptic weight distributions, namely, log-normal, sparse log-normal and sparse Gaussian. Both analytic and numerical results suggest that a larger variance of weight distribution results in a larger chance of having significantly prolonged UP states. However, the different weight distributions only produce similar macroscopic behavior. We further confirmed that prolonged UP states enrich the variety of cell assemblies activated during these states. Our results suggest the role of persistent UP states for the prolonged repetition of a selected set of cell assemblies during memory consolidation.
A lower dose of intravitreal conbercept effectively treats retinopathy of prematurity
Authors: Cheng Yong , Meng Qingyu , Linghu Dandan , Zhao Mingwei , Liang Jianhong
Published: July 2018

Intravitreal Conbercept (IVC) is the latest applied and effective treatment for the management of retinopathy of prematurity (ROP). However, conbercept escapes from the vitreous into the general circulation and reduce systemic VEGF concentrations. Thus, there are concerns about systemic complications, in these premature infants who are developing vital organ systems. This study is to determine whether a low dosage (0.15 mg/0.015 mL) of IVC is effective in the treatment of Zone II Stage 2/3 + ROP. A total of 38 eyes of 20 infants were analyzed retrospectively. We identified treatment effectiveness as complete regression of retinopathy and retinal vascularisation to zone III. The mean gestational age (GA), postmenstrual age (PMA) at treatment and birth weights (BW) were 28.6 ± 2.2 weeks, 39.3 ± 3.0 weeks and 1297.5 ± 429.2 g respectively. Primary effectiveness (react to IVC 0.15 mg alone) was found in 32/38 eyes (84.2%). Secondary effectiveness (a second IVC was required) was found in 6/38 eyes (15.8%). Follow-up continued until 90 weeks’ postmenstrual age and showed no recurrences of plus disease or neovascularization. The study suggests 0.15 mg IVC is effective for Zone II Stage 2/3 + ROP, and there is no adverse ocular outcomes during the follow-up period.
Arylic C–X Bond Activation by Palladium Catalysts: Activation Strain Analyses of Reactivity Trends
Authors: Vermeeren Pascal , Sun Xiaobo , Bickelhaupt F. Matthias
Published: July 2018

We have quantum chemically explored arylic carbon–substituent bond activation via oxidative insertion of a palladium catalyst in C6H5X + PdLnmodel systems (X = H, Cl, CH3; Ln = no ligand, PH3, (PH3)2, PH2C2H4PH2) using relativistic density functional theory at ZORA-BLYP/TZ2P. Besides exploring reactivity trends and comparing them to aliphatic C–X activation, we aim at uncovering the physical factors behind the activity and selectivity. Our results show that barriers for arylic C–X activation are lower than those for the corresponding aliphatic C–X bonds. However, trends along bonds or upon variation of ligands are similar. Thus, bond activation barriers increase along C–Cl < C–H < C–C and along Pd < Pd(PH3) or Pd(PH2C2H4PH2) < Pd(PH3)2. Activation strain analyses in conjunction with quantitative molecular orbital theory trace these trends to the rigidity and bonding capability of the various C–X bonds, model catalysts, and ligands.
Timing correlations between cerebellar interpositus neuronal firing and classically conditioned eyelid responses in wild-type and Lurcher mice
Authors: López-Ramos Juan C. , Houdek Zbynek , Cendelín Jan , Vožeh Frantisek , Delgado-García José M.
Published: July 2018

Classical eyeblink conditioning is an experimental model widely used for the study of the neuronal mechanisms underlying the acquisition of new motor and cognitive skills. There are two principal interpretations of the role of the cerebellum in the learning of eyelid conditioned responses (CRs). One considers that the cerebellum is the place where this learning is acquired and stored, while the second suggests that the cerebellum is mostly involved in the proper performance of acquired CRs, implying that there must be other brain areas involved in the learning process. We checked the timing of cerebellar interpositus nucleus (IPN) neurons’ firing rate with eyelid CRs in both wild-type (WT) and Lurcher (a model of cerebellar cortex degeneration) mice. We used delay and trace conditioning paradigms. WT mice presented a better execution for delay vs. trace conditioning and also for these two paradigms than did Lurcher mice. IPN neurons were activated during CRs following the activation of the orbicularis oculi muscle. Firing patterns of IPN neurons were altered in Lurcher mice. In conclusion, the cerebellum seems to be mostly related with the performance of conditioned responses, rather than with their acquisition.
Structural cortical network reorganization associated with early conversion to multiple sclerosis
Authors: Tur C. , Eshaghi A. , Altmann D. R. , Jenkins T. M. , Prados F. , Grussu F. , Charalambous T. , Schmidt A. , Ourselin S. , Clayden J. D. , Wheeler-Kingshott C. A. M. G. , Thompson A. J. , Ciccarelli O. , Toosy A. T.
Published: July 2018

Brain structural covariance networks (SCNs) based on pairwise statistical associations of cortical thickness data across brain areas reflect underlying physical and functional connections between them. SCNs capture the complexity of human brain cortex structure and are disrupted in neurodegenerative conditions. However, the longitudinal assessment of SCN dynamics has not yet been explored, despite its potential to unveil mechanisms underlying neurodegeneration. Here, we evaluated the changes of SCNs over 12 months in patients with a first inflammatory-demyelinating attack of the Central Nervous System and assessed their clinical relevance by comparing SCN dynamics of patients with and without conversion to multiple sclerosis (MS) over one year. All subjects underwent clinical and brain MRI assessments over one year. Brain cortical thicknesses for each subject and time point were used to obtain group-level between-area correlation matrices from which nodal connectivity metrics were obtained. Robust bootstrap-based statistical approaches (allowing sampling with replacement) assessed the significance of longitudinal changes. Patients who converted to MS exhibited significantly greater network connectivity at baseline than non-converters (p = 0.02) and a subsequent connectivity loss over time (p = 0.001–0.02), not observed in non-converters’ network. These findings suggest SCN analysis is sensitive to brain tissue changes in early MS, reflecting clinically relevant aspects of the condition. However, this is preliminary work, indicated by the low sample sizes, and its results and conclusions should be treated with caution and confirmed with larger cohorts.
Hyperthermia induces therapeutic effectiveness and potentiates adjuvant therapy with non-targeted and targeted drugs in an in vitro model of human malignant melanoma
Authors: Mantso T. , Vasileiadis S. , Anestopoulos I. , Voulgaridou G. P. , Lampri E. , Botaitis S. , Kontomanolis E. N. , Simopoulos C. , Goussetis G. , Franco R. , Chlichlia K. , Pappa A. , Panayiotidis M. I.
Published: July 2018

In the present study, we have aimed to characterize the intrinsic, extrinsic and ER-mediated apoptotic induction by hyperthermia in an in vitro model of human malignant melanoma and furthermore, to evaluate its therapeutic effectiveness in an adjuvant therapeutic setting characterized by combinational treatments with non-targeted (Dacarbazine & Temozolomide) and targeted (Dabrafenib & Vemurafenib) drugs. Overall, our data showed that both low (43 °C) and high (45 °C) hyperthermic exposures were capable of inducing cell death by activating all apoptotic pathways but in a rather distinct manner. More specifically, low hyperthermia induced extrinsic and intrinsic apoptotic pathways both of which activated caspase 6 only as opposed to high hyperthermia which was mediated by the combined effects of caspases 3, 7 and 6. Furthermore, significant involvement of the ER was evident (under both hyperthermic conditions) suggesting its role in regulating apoptosis via activation of CHOP. Our data revealed that while low hyperthermia activated IRE-1 and ATF6 only, high hyperthermia induced activation of PERK as well suggesting that ultimately these ER stress sensors can lead to the induction of CHOP via different pathways of transmitted signals. Finally, combinational treatment protocols revealed an effect of hyperthermia in potentiating the therapeutic effectiveness of non-targeted as well as targeted drugs utilized in the clinical setting. Overall, our findings support evidence into hyperthermia’s therapeutic potential in treating human malignant melanoma by elucidating the underlying mechanisms of its complex apoptotic induction.
Phenotype of p53 wild-type epitope-specific T cells in the circulation of patients with head and neck cancer
Authors: Albers Andreas E. , Qian Xu , Kaufmann Andreas M. , Mytilineos Daphne , Ferris Robert L. , Hoffmann Thomas K. , DeLeo Albert B.
Published: July 2018

CD8+ cytotoxic T-cell (CTL) specific for non-mutated, wild type (wt) sequence p53 peptides derived from wt or mutant p53 molecules expressed in head and neck squamous cell carcinomas (HNSCC) have been detected in the circulation of patients with this disease. The frequency and differentiation/maturation phenotypes of these anti-tumor specific CTL can reflect the host’s immunologic response. Therefore, we investigated the frequency and phenotypes of wt sequence p53 peptide-specific CTL in patients with HNSCC (n = 33) by flow cytometric analysis using HLA-A*0201 tetrameric peptides (tet) complexed with the wt sequence p53264–272 or p53149–157 peptide and co-staining with phenotypic markers. One main finding was that increasing frequencies of tet+ CD8+ T cells in patients’ circulation correlated with increased frequencies of inactive naïve tet+ cells, while those with effector memory and terminally differentiated phenotypes, which are associated with positive anti-tumor immune responses, decreased. We also found that the frequency of circulating tet+ CD8+ T cells negatively correlated with p53 expression in tumor tissues and tumor stage. Our findings support further clinical-based investigations to define the frequencies and phenotypes of wt sequence p53 peptide-specific CD8+ T cells to predict disease severity, enhance selection of patients for inclusion in vaccination trials and highlight prerequisites to enhance immune susceptibility by activation of inactive naïve tet+ T cells and/or enhancing circulating effector T cell activity by checkpoint blockage.
Structural Insight into Substrate Specificity of 3-Hydroxypropionyl-Coenzyme A Dehydratase from Metallosphaera sedula
Authors: Lee Donghoon , Kim Kyung-Jin
Published: July 2018

Metallosphaera sedulais a thermoacidophilic autotrophic archaeon known to utilize the 3-hydroxypropionate/4-hydroxybutyrate cycle (3-HP/4-HB cycle) as carbon fixation pathway. 3-Hydroxypropionyl-CoA dehydratase (3HPCD) is an enzyme involved in the 3-HP/4-HB cycle by converting 3-hydroxypropionyl-CoA to acryloyl-CoA. To elucidate the molecular mechanism of 3HPCD fromM. sedula(Ms3HPCD), we determined its crystal structure in complex with Coenzyme A (CoA).Ms3HPCD showed an overall structure and the CoA-binding mode similar to other enoyl-CoA hydratase (ECH) family enzymes. However, compared with the other ECHs,Ms3HPCD has a tightly formed α3 helix near the active site, and bulky aromatic residues are located at the enoyl-group binding site, resulting in the enzyme having an optimal substrate binding site for accepting short-chain 3-hydroxyacyl-CoA as a substrate. Moreover, based on the phylogenetic tree analysis, we propose that the 3HPCD homologues from the phylumCrenarchaeotahave an enoyl-group binding pocket similar to that of bacterial short-chain ECHs.
Genetic characterization and pathogenic potential of H10 avian influenza viruses isolated from live poultry markets in Bangladesh
Authors: El-Shesheny Rabeh , Franks John , Marathe Bindumadhav M. , Hasan M. Kamrul , Feeroz Mohammed M. , Krauss Scott , Vogel Peter , McKenzie Pamela , Webby Richard J. , Webster Robert G.
Published: July 2018

Fatal human cases of avian-origin H10N8 influenza virus infections have raised concern about their potential for human-to-human transmission. H10 subtype avian influenza viruses (AIVs) have been isolated from wild and domestic aquatic birds across Eurasia and North America. We isolated eight H10 AIVs (four H10N7, two H10N9, one H10N1, and one H10N6) from live poultry markets in Bangladesh. Genetic analyses demonstrated that all eight isolates belong to the Eurasian lineage. HA phylogenetic and antigenic analyses indicated that two antigenically distinct groups of H10 AIVs are circulating in Bangladeshi live poultry markets. We evaluated the virulence of four representative H10 AIV strains in DBA/2J mice and found that they replicated efficiently in mice without prior adaptation. Moreover, H10N6 and H10N1 AIVs caused high mortality with systemic dissemination. These results indicate that H10 AIVs pose a potential threat to human health and the mechanisms of their transmissibility should be elucidated.
Design principles of the paradoxical feedback between pancreatic alpha and beta cells
Authors: Garzilli Immacolata , Itzkovitz Shalev
Published: July 2018

Mammalian glucose homeostasis is controlled by the antagonistic hormones insulin and glucagon, secreted by pancreatic beta and alpha cells respectively. These two cell types are adjacently located in the islets of Langerhans and affect each others’ secretions in a paradoxical manner: while insulin inhibits glucagon secretion from alpha cells, glucagon seems to stimulate insulin secretion from beta cells. Here we ask what are the design principles of this negative feedback loop. We systematically simulate the dynamics of all possible islet inter-cellular connectivity patterns and analyze different performance criteria. We find that the observed circuit dampens overshoots of blood glucose levels after reversion of glucose drops. This feature is related to the temporal delay in the rise of insulin concentrations in peripheral tissues, compared to the immediate hormone action on the liver. In addition, we find that the circuit facilitates coordinate secretion of both hormones in response to protein meals. Our study highlights the advantages of a paradoxical paracrine feedback loop in maintaining metabolic homeostasis.
In utero gene expression in the Slc39a8(neo/neo) knockdown mouse
Authors: Chen Jing , Gálvez-Peralta Marina , Zhang Xiang , Deng Jingyuan , Liu Zijuan , Nebert Daniel W.
Published: July 2018

Slc39a8 encodes ZIP8, a divalent cation/bicarbonate symporter expressed in pluripotent mouse embryonic stem cells, and therefore ubiquitous in adult tissues; ZIP8 influxes Zn2+, Mn2+and Fe2+.Slc39a8(neo/neo)knockdown mice exhibit 10–15% of wild-type ZIP8 mRNA and protein levels, and show pleiotropic phenotype of stunted growth, neonatal lethality, multi-organ dysmorphogenesis, and dysregulated hematopoiesis manifested as severe anemia. Herein we performed RNA-seq analysis of gestational day (GD)13.5 yolk sac and placenta, and GD16.5 liver, kidney, lung, heart and cerebellum, comparingSlc39a8(neo/neo)withSlc39a8(+/+) wild-type. Meta-data analysis of differentially-expressed genes revealed 29 unique genes from all tissues — having enriched GO categories associated with hematopoiesis and hypoxia and KEGG categories of complement, response to infection, and coagulation cascade — consistent with dysregulated hematopoietic stem cell fate. Based on transcription factor (TF) profiles in the JASPAR database, and searching for TF-binding sites enriched by Pscan, we identified numerous genes encoding zinc-finger and other TFs associated with hematopoietic stem cell functions. We conclude that, in this mouse model, deficient ZIP8-mediated divalent cation transport affects zinc-finger (e.g. GATA proteins) and other TFs interacting with GATA proteins (e.g. TAL1), predominantly in yolk sac. These data strongly support the phenotype of dysmorphogenesis and anemia seen inSlc39a8(neo/neo)mice in utero.
Iodine k-edge dual energy imaging reveals the influence of particle size distribution on solute transport in drying porous media
Authors: Shokri-Kuehni Salomé M. S. , Bergstad Mina , Sahimi Muhammad , Webb Colin , Shokri Nima
Published: July 2018

Increasing salinity in groundwater and soil poses a threat to water and land resources. With the expectation of major changes to the hydrological cycle through climate change, the need for understanding the fundamental processes governing solute transport through soil has grown significantly. We provide experimentally verified insights into the influence of particle size distribution on solute transport in porous media during evaporation at the pore- and macro-scales. To do so, we utilized four-dimensional (space plus time) synchrotron X-ray tomography for iodine k-edge dual energy imaging to obtain solute concentration profiles in every single pore during saline water evaporation from coarse- and fine-grained sands. Close to the surface of the coarse-grained sand significantly higher salt concentrations were observed when compared to fine-grained sand with the same porosity under similar cumulative evaporative mass losses. The physics behind this behaviour was delineated using the recorded data with high spatial and temporal resolutions. Moreover, the measured data enabled us to quantify the variations of the effective dispersion coefficient during evaporation and how it is influenced by the particle size distribution. We show that, contrary to common assumption in modelling of solute transport during evaporation, the effective dispersion coefficient varies as a function of liquid saturation and the length of the invaded zone during evaporation from porous media, and that it increases as liquid saturation decreases.
Removal of Mn (II) by Sodium Alginate/Graphene Oxide Composite Double-Network Hydrogel Beads from Aqueous Solutions
Authors: Yang Xiuzhen , Zhou Tengzhi , Ren Bozhi , Hursthouse Andrew , Zhang Yuezhou
Published: July 2018

After the successful preparation of empirical double network hydrogel beads from graphene oxide/sodium alginate(GO/SA), its cationic metal adsorption performance in aqueous solutions were investigated. Taking Mn(II) as an example, the contribution of several factors including pH, bead dosage, temperature, contact time and initial concentration ions to adsorption efficiency were examined. The Transmission Electron Microscopy (TEM) results indicate that the GO/SA double (GAD) network hydrogel bead strongly interpenetrate and the adsorption of Mn(II) is mainly influenced by solution pH, bead dose and temperature. The GAD beads exhibit an excellent adsorption capacity of 56.49 mg g−1. The adsorption process fit both Pseudo-second order kinetic model (R2 > 0.97) and the Freundlich adsorption isotherm (R2 > 0.99) and is spontaneous. After seven rounds of adsorption-desorption cycle, the adsorption capacity of GAD hydrogel remained unchanged at 18.11 mg/g.
Control of neural systems at multiple scales using model-free, deep reinforcement learning
Authors: Mitchell B. A. , Petzold L. R.
Published: July 2018

Recent improvements in hardware and data collection have lowered the barrier to practical neural control. Most of the current contributions to the field have focus on model-based control, however, models of neural systems are quite complex and difficult to design. To circumvent these issues, we adapt a model-free method from the reinforcement learning literature, Deep Deterministic Policy Gradients (DDPG). Model-free reinforcement learning presents an attractive framework because of the flexibility it offers, allowing the user to avoid modeling system dynamics. We make use of this feature by applying DDPG to models of low-level and high-level neural dynamics. We show that while model-free, DDPG is able to solve more difficult problems than can be solved by current methods. These problems include the induction of global synchrony by entrainment of weakly coupled oscillators and the control of trajectories through a latent phase space of an underactuated network of neurons. While this work has been performed on simulated systems, it suggests that advances in modern reinforcement learning may enable the solution of fundamental problems in neural control and movement towards more complex objectives in real systems.
Disentangling vehicular emission impact on urban air pollution using ethanol as a tracer
Authors: Brito Joel , Carbone Samara , A. Monteiro dos Santos Djacinto , Dominutti Pamela , de Oliveira Alves Nilmara , V. Rizzo Luciana , Artaxo Paulo
Published: July 2018

The Sao Paulo Metropolitan Area is a unique case worldwide due to the extensive use of biofuel, particularly ethanol, by its large fleet of nearly 8 million cars. Based on source apportionment analysis of Organic Aerosols in downtown Sao Paulo, and using ethanol as tracer of passenger vehicles, we have identified primary emissions from light-duty-vehicles (LDV) and heavy-duty-vehicles (HDV), as well as secondary process component. Each of those factors mirror a relevant primary source or secondary process in this densely occupied area. Using those factors as predictors in a multiple linear regression analysis of a wide range of pollutants, we have quantified the role of primary LDV or HDV emissions, as well as atmospheric secondary processes, on air quality degradation. Results show a significant contribution of HDV emissions, despite contributing only about 5% of vehicles number in the region. The latter is responsible, for example, of 40% and 47% of benzene and black carbon atmospheric concentration, respectively. This work describes an innovative use of biofuel as a tracer of passenger vehicle emissions, allowing to better understand the role of vehicular sources on air quality degradation in one of most populated megacities worldwide.
The acoustic phase resonances and surface waves supported by a compound rigid grating
Authors: Beadle Joseph G. , Starkey Timothy , Dockrey Joseph A. , Sambles J. Roy , Hibbins Alastair P.
Published: July 2018

We study the radiative and bound acoustic modes supported by a rigid grating formed of three same-depth, narrow grooves per unit cell. One of the grooves is twice the width of the other two, forming a ‘compound’ grating. The structure supports so-called ‘phase’ resonances where the phase difference of the pressure field between the grooves on resonance varies by multiples of π. We explore the dispersion of these modes experimentally by monitoring the specularly reflected signal as a function of the angle of incidence. In addition, by near-field excitation, the dispersion of the non-radiative surface modes has been characterised. Our results are compared with the predictions of a finite element method model.
Circulating microRNAs are associated with Pulmonary Hypertension and Development of Chronic Lung Disease in Congenital Diaphragmatic Hernia
Authors: Herrera-Rivero Marisol , Zhang Rong , Heilmann-Heimbach Stefanie , Mueller Andreas , Bagci Soyhan , Dresbach Till , Schröder Lukas , Holdenrieder Stefan , Reutter Heiko M. , Kipfmueller Florian
Published: July 2018

Pulmonary hypertension (PH) contributes to high mortality in congenital diaphragmatic hernia (CDH). A better understanding of the regulatory mechanisms underlying the pathology in CDH might allow the identification of prognostic biomarkers and potential therapeutic targets. We report the results from an expression profiling of circulating microRNAs (miRNAs) in direct post-pulmonary blood flow of 18 CDH newborns. Seven miRNAs differentially expressed in children that either died or developed chronic lung disease (CLD) up to 28 days after birth, compared to those who survived without developing CLD during this period, were identified. Target gene and pathway analyses indicate that these miRNAs functions include regulation of the cell cycle, inflammation and morphogenesis, by targeting molecules responsive to growth factors, cytokines and cellular stressors. Furthermore, we identified hub molecules by constructing a protein-protein interaction network of shared targets, and ranked the relative importance of the identified miRNAs. Our results suggest that dysregulations in miRNAs let-7b-5p, -7c-5p, miR-1307-3p, -185-3p, -8084, -331-3p and -210-3p may be detrimental for the development and function of the lungs and pulmonary vasculature, compromise cardiac function and contribute to the development of CLD in CDH. Further investigation of the biomarker and therapeutic potential of these circulating miRNAs is encouraged.
Adaptive metabolic pattern biomarker for disease monitoring and staging of lung cancer with liquid biopsy
Authors: Garcia-Algar Manuel , Fernandez-Carrascal Ana , Olano-Daza Ana , Guerrini Luca , Feliu Neus , Parak Wolfgang J. , Guimera Roger , Garcia-Rico Eduardo , Alvarez-Puebla Ramon A.
Published: July 2018

In this manuscript, we demonstrate the applicability of a metabolic liquid biopsy for the monitoring and staging of patients with lung cancer. This method provides an unbiased detection strategy to establish a more precise correlation between CTC quantification and the actual burden of disease, therefore improving the accuracy of staging based on current imaging techniques. Also, by applying statistical analysis techniques and probabilistic models to the metabolic status and distribution of peripheral blood mononuclear cell (PBMC) populations “perturbed” by the presence of CTCs, a new category of adaptive metabolic pattern biomarker (AMPB) is described and unambiguously correlated to the different clinical stages of the patients. In fact, this strategy allows for classification of different categories of disease within a single stage (stage IV) before computed tomography (CT) and positron emission tomography (PET) scans and with lower uncertainty.
Breakdown in the directional transport of droplets on the peristome of pitcher plants
Authors: Li Jiaqian , Zheng Huanxi , Yang Zhengbao , Wang Zuankai
Published: July 2018

Over the centuries, scientists and engineers have been fascinated by the directional transport of water on the peristome of pitcher plant. Through experimental investigation and theoretical analysis, here we reveal the more complex picture of droplet transport on this peculiar natural surface. First, we demonstrate that in addition to the presence of the asymmetric arch-shaped microcavity with gradient wedge corners and sharp edges, the structural gradient in the first-tier microgroove of the pitcher’s peristome also plays an important role in the regulation of the directional droplet transport. Moreover, the directional liquid transport only occurs in a limited condition. Without the intricate control of the interplay between its multiscale structures and multiscale sources of water, as well as the dynamic conditions of water, the preferential directional droplet transport will collapse. The new transport phenomenon and the mechanisms we reveal will provide important insights for the design of asymmetric morphologies for droplet manipulation.
Detection of bisphenol A and derivatives in human urineviacyclodextrin-promoted fluorescence modulation
Authors: DiScenza Dana J. , Lynch Julie , Feder Ezra , Levine Mindy
Published: July 2018

Reported herein is the first application of cyclodextrin-promoted fluorescence modulation for the detection of bisphenol A and its derivatives in human urine.
Silver nanowire net knitted anisotropic aerogel as an ultralight and sensitive physiological activity monitor
Authors: Dong Lina , Wang Wenyan , Chen Jinghuang , Ding Xingwei , Fang Bixing , Miao Xinxin , Liu Yu , Yu Fen , Xin Hongbo , Wang Xiaolei
Published: July 2018

A versatile and ultralight physiological activity monitor using celery derived inherent anisotropic aerogels with silver nanowire knitted net decoration.
Amines as effective ligands in iridium-catalyzed decarbonylative dehydration of biosourced substrates
Authors: Ternel Jérémy , Léger Bastien , Monflier Eric , Hapiot Frédéric
Published: July 2018

Linear α-olefins (LAOs) and linear internal olefins (LIOs) are essential intermediates in the synthesis of surfactants, lubricants, and polymers.
The effect of preparation methods on the thermal and chemical reducibility of Cu in Cu–Al oxides
Authors: Teixeira Camila de O. P. , Montani Samara da S. , Palacio Luz Amparo , Zotin Fatima Maria Zanon
Published: July 2018

The influence of the preparation methods on the physicochemical properties of Cu and Al oxides was studied. The mixed oxide obtained from hydrotalcite type precursor presented advantages when compared to the oxides prepared by other methods.
Covalently linking CuInS2 quantum dots with a Re catalyst by click reaction for photocatalytic CO2 reduction
Authors: Huang Jing , Gatty Mélina Gilbert , Xu Bo , Pati Palas Baran , Etman Ahmed S. , Tian Lei , Sun Junliang , Hammarström Leif , Tian Haining
Published: July 2018

Covalently linking a Re catalyst to CuInS2 QDs through a facile click reaction for efficient electron transfer to improve photocatalytic CO2 reduction is reported.
A 3D MoOx/carbon composite array as a binder-free anode in lithium-ion batteries
Authors: Herdt Tim , Bruns Michael , Schneider Jörg J.
Published: July 2018

A 3D aligned MoOx/carbon composite anode displays good cycle capacity in binder free lithium ion battery applications.
Lactobacillus plantarumZDY04 exhibits a strain-specific property of lowering TMAOviathe modulation of gut microbiota in mice
Authors: Qiu Liang , Tao Xueying , Xiong Hua , Yu Jun , Wei Hua
Published: July 2018

L. plantarumZDY04 reduced choline-induced TMAO levels by remodeling the intestinal flora compositions and development of TMAO-induced atherosclerosis.
Retracted Article: MicroRNA-451 blockade promotes osteoblastic differentiation and skeletal anabolic effects by promoting YWHAZ-mediated RUNX2 protein stabilization
Authors: Pan Jieen , Huang Chenglong , Chen Gang , Cai Zhenhai , Zhang Zhongwei
Published: July 2018

MicroRNA-451 blockade promotes osteoblastic differentiation in vitro and skeletal anabolic effects in vivo by promoting YWHAZ-mediated RUNX2 protein stabilization.
Au3Cu tetrapod nanocrystals: highly efficient and metabolizable multimodality imaging-guided NIR-II photothermal agents
Authors: Wang Zhiyi , Ju Yanmin , Tong Shiyan , Zhang Hongchen , Lin Jian , Wang Baodui , Hou Yanglong
Published: July 2018

Au3Cu tetrapod nanocrystals were synthesized. After surface modification, the obtained monodisperse Au3Cu@PEG-Cy5,FA showed great potential as a fluorescence imaging and MSOT imaging-guided photothermal agent in the NIR-II region, which could be metabolized in vitro after treatment.
A novel α-enolase-targeted drug delivery system for high efficacy prostate cancer therapy
Authors: Wang Luyao , Qu Mengke , Huang Shiqi , Fu Yu , Yang Liuqing , He Shanshan , Li Lin , Zhang Zhirong , Lin Qing , Zhang Ling
Published: July 2018

The current work has designed a novel α-enolase-targeted drug delivery system for high efficacy prostate cancer therapy using the pHCT74 peptide.
A spring-assisted hybrid triboelectric–electromagnetic nanogenerator for harvesting low-frequency vibration energy and creating a self-powered security system
Authors: Wang Weichao , Xu Jiancheng , Zheng Haiwu , Chen Fangqi , Jenkins Kory , Wu Yonghui , Wang Heyi , Zhang Weifeng , Yang Rusen
Published: July 2018

A novel spring-assisted hybrid nanogenerator (HG) was developed for harvesting low-frequency vibration energy, which enabled us to develop a self-powered safety system and to power LEDs, and drive some electronic devices.
Base controlled diverse reactivity of allyl cyanide for synthesis of multi-substituted benzenes
Authors: Yadav Pratik , Shaw Ranjay , Elagamy Amr , Kumar Abhinav , Pratap Ramendra
Published: July 2018

A base controlled regioselective 1,6-cyanoallylation of suitably functionalized 2H-pyran-2-ones has been demonstrated for the synthesis of various multi-substituted benzenes through a tandem process.
Molecular-level anchoring of polymer cathodes on carbon nanotubes towards rapid-rate and long-cycle sodium-ion storage
Authors: Hu Yuxiang , Zhang Kai , Hu Han , Wang Songcan , Ye Delai , Monteiro Michael J. , Jia Zhongfan , Wang Lianzhou
Published: July 2018

A non-covalent functionalized radical polymer anchored on CNTs through π–π interactions with remarkable sodium-ion battery performance as a novel cathode.
Aerogel templating on functionalized fibers of nanocellulose networks
Authors: Nguyen Thanh-Dinh , Hamad Wadood Y. , MacLachlan Mark J.
Published: July 2018

Structural replication of injectable gelatin-functionalized cellulose spaghetti-like gels by aerogel templating has been explored to construct hierarchically nanostructured semiconductor fibers at the macroscopic scale.
Preparation of polymethacrylate monolith modified with cysteine for the determination of Cr(iii) ions
Authors: Liu Dan , Pan Junli , Tang Jianghong , Lian Ning
Published: July 2018

In this study, a simple and rapid polymer monolith microextraction procedure was developed for the determination of Cr(iii) ions by inductively coupled plasma-atomic emission spectrometry.
BxCyNz hybrid graphenylene: stability and electronic properties
Authors: Freitas A. , Machado L. D. , Bezerra C. G. , Tromer R. M. , Pereira L. F. C. , Azevedo S.
Published: July 2018

We combine density functional theory and molecular dynamics to investigate the stability and electronic properties of 20 structures composed of boron, carbon, and nitrogen arranged in the pattern of the two-dimensional carbon allotrope graphenylene.
Expression of phosphotransacetylase in Rhodosporidium toruloides leading to improved cell growth and lipid production
Authors: Yang Xiaobing , Sun Wenyi , Shen Hongwei , Zhang Sufang , Jiao Xiang , Zhao Zongbao K.
Published: July 2018

Microbial lipids (MLs) are potential alternatives to vegetable oils and animal fats for production of biofuels and oleochemicals.
Pre-clinical pharmacokinetic-pharmacodynamic modelling and biodistribution studies of donepezil hydrochloride by a validated HPLC method
Authors: Krishna Kowthavarapu Venkata , Saha Ranendra Narayana , Singhvi Gautam , Dubey Sunil Kumar
Published: July 2018

A simple, sensitive and robust HPLC–PDA assay was developed and validated for rapid determination of donepezil hydrochloride (DNP), a potent acetylcholinesterase inhibitor in rat plasma and tissues.
A model study on the photodecarbonyl reaction of (η5-C5H5)M(CO)2 (M = Co, Rh, Ir)
Authors: Zhang Zheng-Feng , Su Ming-Der
Published: July 2018

Theoretical observations show that the triplet cobalt photoproduct [η5-CpCo(CO)] activates Si–H bonds much more readily than its singlet counterpart. The conical intersection mechanism may play a decisive role in photodecarbonyl reactions of (η5-C5H5)M(CO)2 (M = Rh and Ir).
Enhanced photocatalytic and antibacterial activity of plasma-reduced silver nanoparticles
Authors: Chandana L. , Ghosal P. , Shashidhar T. , Subrahmanyam Ch.
Published: July 2018

A non-thermal atmospheric pressure plasma jet has been used for the green synthesis of highly dispersed colloidal silver nanoparticles.
Inverted (p–i–n) perovskite solar cells using a low temperature processed TiOxinterlayer
Authors: Hailegnaw Bekele , Adam Getachew , Heilbrunner Herwig , Apaydin Dogukan H. , Ulbricht Christoph , Sariciftci Niyazi Serdar , Scharber Markus C.
Published: July 2018

A low temperature solution processed TiOxinterlayer was used to improve the performance and stability of mixed-cation–mixed-halide perovskite solar cells.
Sulfate radical-induced transformation of trimethoprim with CuFe2O4/MWCNTs as a heterogeneous catalyst of peroxymonosulfate: mechanisms and reaction pathways
Authors: Kong Jing , Li Ruobai , Wang Fengliang , Chen Ping , Liu Haijin , Liu Guoguang , Lv Wenying
Published: July 2018

The degradation of trimethoprim (TMP) in heterogeneously activated peroxymonosulfate (PMS) oxidation processes using CuFe2O4/MWCNTs as the catalyst.
Halogen bond triggered aggregation induced emission in an iodinated cyanine dye for ultra sensitive detection of Ag nanoparticles in tap water and agricultural wastewater
Authors: Abdelbar Mostafa F. , El-Sheshtawy Hamdy S. , Shoueir Kamel R. , El-Mehasseb Ibrahim , Ebeid El-Zeiny M. , El-Kemary Maged
Published: July 2018

Based on AIE triggered by halogen bond (XB) formation, we established an ultrasensitive and selective sensor for picomolar detection of Ag nanoparticles (Ag NPs).
Free-standing graphene/bismuth vanadate monolith composite as a binder-free electrode for symmetrical supercapacitors
Authors: Deng Lingjuan , Liu Jiahuan , Ma Zhanying , Fan Guang , Liu Zong-huai
Published: July 2018

A symmetrical supercapacitor with a high energy density has been assembled based on a free-standing GR/BiVO4 monolith composite.
Novel sustainable synthesis of vinyl ether ester building blocks, directly from carboxylic acids and the corresponding hydroxyl vinyl ether, and their photopolymerization
Authors: Finnveden Maja , Brännström Sara , Johansson Mats , Malmström Eva , Martinelle Mats
Published: July 2018

Synthesis of bifunctional vinyl ether ester monomers directly from the corresponding alcohol and carboxylic acid.
Becquerelite mineral phase: crystal structure and thermodynamic and mechanical stability by using periodic DFT
Authors: Colmenero Francisco , Fernández Ana María , Timón Vicente , Cobos Joaquin
Published: July 2018

The full crystal structure of becquerelite mineral phase was successfully determined using theoretical solid-state methods for the first time. Additionally, a complete study of its thermodynamic and mechanical properties and stability is reported.
Oscillating Seebeck coefficients in π-stacked molecular junctions
Authors: Al-Khaykanee Mohsin K. , Ismael Ali K. , Grace Iain , Lambert Colin J.
Published: July 2018

When two adjacent molecules are slid across each other, quantum interference causes oscillations in their conductance and Seebeck coefficient.
Exploration of immobilization conditions of cellulosic lyotropic liquid crystals in monomeric solvents by in situ polymerization and achievement of dual mechanochromism at room temperature
Authors: Miyagi K. , Teramoto Y.
Published: July 2018

We obtained cellulosic/synthetic polymer composites incorporating a cholesteric liquid crystalline structure by in situ polymerization and accomplished dual mechanochromism at room temperature.
Microwave absorption properties of lightweight and flexible carbon fiber/magnetic particle composites
Authors: Ye Wei , Li Wei , Sun Qilong , Yu Jin , Gao Qiang
Published: July 2018

Hybridized-carbon-based materials with magnetic metals and oxides have attracted much attention because of their enhanced electromagnetic wave loss.
Ultrafine SiOx/C nanospheres and their pomegranate-like assemblies for high-performance lithium storage
Authors: Yu Qiang , Ge Peipei , Liu Zhenhui , Xu Ming , Yang Wei , Zhou Liang , Zhao Dongyuan , Mai Liqiang
Published: July 2018

Pomegranate-like SiOx/C microspheres demonstrate high specific capacity and outstanding cyclability (1024 mA h g−1 after 200 cycles) for lithium storage.
A spheres-in-tube carbonaceous nanostructure for high-capacity and high-rate lithium–sulfur batteries
Authors: Ge Yuanhang , Chen Ze , Ye Sunjie , Zhu Zhifeng , Tu Yingfeng , Yang Xiaoming
Published: July 2018

A spheres-in-tube carbonaceous nanostructure has been prepared as an effective sulfur host, exhibiting large reversible capacity and good cycling stability.
Template free growth of robustly stable nanophotonic structures: broadband light superabsorbers
Authors: Wattoo Abdul Ghafar , Bagheri Robabeh , Ding Xuefeng , Zheng Bizhang , Liu Jikang , Xu Cheng , Yang Lijing , Song Zhenlun
Published: July 2018

TiAlN based nanophotonic coatings show almost complete absorption (≥95%) of light and robust stability in adverse environments. Their simple fabrication process, wideband ultrahigh absorption and superb stability enable their widespread application in optoelectronic industry.
Fabrication of a flexible and stretchable three-dimensional conductor based on Au–Ni@graphene coated polyurethane sponge by electroless plating
Authors: Han Fei , Su Xingyu , Huang Mingqi , Li Jinhui , Zhang Yuan , Zhao Songfang , Liu Feng , Zhang Bo , Wang Ying , Zhang Guoping , Sun Rong , Wong Ching-Ping
Published: July 2018

A flexible and stretchable 3D graphene-coated polyurethane sponge-based conductor was fabricated by electroless plating and vacuum encapsulation. The fabricated flexible conductor exhibited high conductive stability in different deformation states.