bluuebunny/crossref_metadata_2025 huggingface dataset:
Lipid Nanocarriers for Intracellular Delivery
Authors: Fernandes Clara Bernard , Suares Divya , Dhawan Vivek
Published: February 2018

Recent trends in drug delivery indicate a growing trend to utilize nanotechnology to target diseased tissues with minimal adverse effects. However, in such cases, the biggest challenge encountered by the formulator is the intracellular delivery of the actives. Nevertheless, pharmaceutical nanocarriers have proven to possess distinct advantages for intracellular delivery of therapeutics over conventional approaches. They are versatile in terms of engineering and provide attractive options to deliver encapsulated or conjugated cargoes to cellular targets. In this chapter, the authors discuss important aspects of lipid-based nanocarriers for intracellular drug targeting. The chapter provides insight of different pathways to internalize lipid nanocarriers and the physicochemical factors affecting the intracellular fate of nanocarriers. Further, the chapter provides details of different types of lipid-based nanocarriers that have been explored for intracellular delivery in infectious diseases as well as cancer.
Mesoporous Silica Nanoparticles
Authors: Lather Viney , Poonia Neelam , Pandita Deepti
Published: February 2018

Integration of nanotechnology and biomedicine has offered great opportunities for the development of nanoscaled therapeutic platforms. Amongst various nanocarriers, mesoporous silica nanoparticles (MSNs) is one of the most developed and promising inorganic materials-based drug delivery system for clinical translations due to their simple composition and nanoporous structure. MSNs possess unique structural features, for example, well-defined morphology, large surface areas, uniform size, controllable structure, flexible pore volume, tunable pore sizes, extraordinarily high loading efficiency, and excellent biocompatibility. Progress in structure control and functionalization may endow MSNs with functionalities that enable medical applications of these integrated nanoparticles such as molecularly targeted drug delivery, multicomponent synergistic therapy, in vivo imaging and therapeutic capability, on-demand/stimuli-responsive drug release, etc. In this chapter, the authors overview MSNs' characteristics and the scientific efforts developed till date involving drug delivery and biomedical applications.
Multifunctional Nanocomposites for Biotherapeutic Applications
Authors: Souto Eliana B. , Fernandes A. R. , Ferreira J. Dias , da Silva C. F. , Severino Patrícia , Martins-Gomes Carlos , Silva Amélia M.
Published: February 2018

The rationale for administering a drug is usually related to the increase of the drug bioavailability with the aim to achieve a therapeutic effect at a predetermined time. A drug delivery system consists of a formulation or even a device that introduces a drug into the organism being capable of assuring the efficacy and safety by controlling the rate, time, and place of release. With the field of multifunctional nanocomposites, crucial factors such as the improvement on the medicine's efficacy, reduced economic implications, extended life of product patent, better safety and efficacy profile, and increased compliance are the aim. Nowadays, nanocomposites and nanostructured materials are important for several biotherapeutic applications, including their use in drug delivery, in orthopaedics, and in dentistry.
On Formalization and Representation in Collaborative Research
Authors: Diviacco Paolo
Published: February 2018

The aim of this chapter is to delve into the issues related to the formalization and transmission of knowledge within the scope of collaborative scientific research and to propose a new approach to address such difficulties. Analyzing methods and practices of collaborative research, the authors highlight that observation and reasoning are systematically prone to flaws, so that theorization is made highly conjectural. To gain reliability, points of views and visions need then a support from a community; in other words, they become public. To allow convergence to take place, conceptualizations need to be understood by people with possibly different cognitive models. Therefore, the authors propose using artifacts that can be strongly structured in individual use while weakly structured in common use. These artifacts take place generally as graphic representations, and as in the case of the arts, they can be realistic or abstract, they can emphasize, hide, or allow different, contrasting and concurrent interpretations of the exposed knowledge. Keywords: Collaborative Research, Scientific reasoning, Knowledge Representation, Knowledge Formalization, Boundary objects.
Insights into organic-aerosol sources via a novel laser-desorption/ionization mass spectrometry technique applied to one year of PM10 samples from nine sites in central Europe
Authors: Daellenbach Kaspar R. , El-Haddad Imad , Karvonen Lassi , Vlachou Athanasia , Corbin Joel C. , Slowik Jay G. , Heringa Maarten F. , Bruns Emily A. , Luedin Samuel M. , Jaffrezo Jean-Luc , Szidat Sönke , Piazzalunga Andrea , Gonzalez Raquel , Fermo Paola , Pflueger Valentin , Vogel Guido , Baltensperger Urs , Prévôt André S. H.
Published: February 2018

Abstract. We assess the benefits of offline laser-desorption/ionization mass
spectrometry in understanding ambient particulate matter (PM) sources. The
technique was optimized for measuring PM collected on quartz-fiber filters
using silver nitrate as an internal standard for m∕z calibration. This is
the first application of this technique to samples collected at nine sites in
central Europe throughout the entire year of 2013 (819 samples). Different PM
sources were identified by positive matrix factorization (PMF) including also
concomitant measurements (such as NOx, levoglucosan, and
temperature). By comparison to reference mass spectral signatures from
laboratory wood burning experiments as well as samples from a traffic tunnel,
three biomass burning factors and two traffic factors were identified. The
wood burning factors could be linked to the burning conditions; the factors
related to inefficient burns had a larger impact on air quality in southern
Alpine valleys than in northern Switzerland. The traffic factors were
identified as primary tailpipe exhaust and most possibly aged/secondary
traffic emissions. The latter attribution was supported by radiocarbon
analyses of both the organic and elemental carbon. Besides these sources,
factors related to secondary organic aerosol were also separated. The
contribution of the wood burning emissions based on LDI-PMF
(laser-desorption/ionization PMF) correlates well with that based on AMS-PMF
(aerosol mass spectrometer PMF) analyses, while the comparison between the
two techniques for other components is more complex.
Global IWV trends and variability in atmospheric reanalyses and
GPS observations
Authors: Parracho Ana C. , Bock Olivier , Bastin Sophie
Published: February 2018

Abstract. Water vapour plays a key role in the climate system. However, its short residence time in the atmosphere and its high variability in space and time make it challenging when it comes to study trends and variability. There are several sources of water vapour data. In this work we use Integrated Water Vapour (IWV) estimated from GPS observations and atmospheric reanalyses. Monthly and seasonal means, interannual variability, and linear trends are analysed and compared for the period between 1995 and 2010. A general good agreement is found but this study highlights issues in both GPS and reanalysis data sets. In GPS, gaps and inhomogeneities in the time series are evidenced, which affect mainly variability and trend estimation. In ERA-Interim, too strong trends in certain regions (e.g. drying over northern Africa and Australia, and moistening over northern South America) were found. Representativeness differences in coastal areas and regions of complex topography (mountain ranges, islands) are also evidenced as limitations to the intercomparison of the point observations and reanalysis data. A general good agreement is found for the means and variabilities, with the exception of a few stations where representativeness issues are suspected. Monthly IWV trends are also found to be in good sign agreement, with the exception of a handful of stations where, in addition to representativeness errors, there might be inhomogeneities in the GPS time series. Seasonal trends are found to be different and more intense than monthly trends, which emphasizes the influence of atmospheric circulation on IWV trends. In order to assess strong trends over regions lacking GPS stations, a second reanalysis, MERRA-2, is introduced. The period of analysis is extended to 1980–2016 (the longest period the reanalyses have in common) and differences with the shorter period are found. This exemplifies how much IWV trends are dependent on the time period at study and must be interpreted carefully. Temperature trends are also computed for both reanalyses. The Clausius-Clapeyron scaling ratio is found to not be a good humidity proxy at seasonal and regional scales. Regions over northern Africa and Australia, where ERA-Interim and MERRA-2 disagree, are investigated further. Dynamics at these regions is assessed by analyzing the wind fields at 925 hPa and is shown to be tightly linked with the trends and variability in IWV.
Reactive bromine in the low troposphere of Antarctica. Estimations at two research sites
Authors: Prados-Roman Cristina , Gómez-Martín Laura , Puentedura Olga , Navarro-Comas Mónica , Iglesias Javier , de Mingo José Ramón , Pérez Manuel , Ochoa Héctor , Barlasina María Elena , Carbajal Gerardo , Yela Margarita
Published: February 2018

Abstract. For decades, reactive halogen species (RHS) have been subject of detailed scientific research due to their influence on the oxidizing capacity of the atmosphere and on the climate. From the RHS, those containing bromine are of particular interest in the polar troposphere as a result of their link to ozone depletion events (ODEs) and to the perturbation of the cycle of e.g. the toxic mercury. Given its remoteness and related limited accessibility compared to the Arctic region, the RHS in the Antarctic troposphere are still poorly characterized. This work presents ground-based observations of tropospheric BrO from two different Antarctic locations: Marambio (64º13′ S, 56º37′ W) and Belgrano II (77º52′ S, 34º37′ W) during the sunlit period of 2015. By means of MAX-DOAS (Multi-axis Differential Optical Absorption Spectroscopy) measurements of BrO performed from the two research sites, the seasonal variation of this reactive trace gas is described along with its vertical and geographical distribution in the Antarctic environment. Results show an overall vertical profile of BrO mixing ratio decreasing with altitude, with a median value of 1.6 pmol mol−1 in the lowest layers of the troposphere and undetectable values above 2 km at both sites. Additionally, observations show that the polar sunrise triggers a heterogeneous increase of bromine content in the Antarctic troposphere yielding a maximum BrO at Marambio (26 pmol mol−1), amounting threefold the values observed at Belgrano at dawn. Data presented herein are combined with previous studies and ancillary data to update and expand our knowledge of the geographical and vertical distribution of BrO in the Antarctic troposphere, revealing Marambio as one of the locations with highest BrO reported so far in Antarctica. Furthermore, the observations gathered during 2015 serve as a proxy to investigate the budget of reactive bromine (BrOx = Br + BrO) and the bromine-mediated ozone loss rate in the Antarctic troposphere.
The importance of mixed-phase clouds for climate sensitivity in the global aerosol-climate model ECHAM6-HAM2
Authors: Lohmann Ulrike , Neubauer David
Published: February 2018

Abstract. Clouds are important in the climate system because of their large influence on the radiation budget. On the one hand, they scatter solar radiation and with that cool the climate. On the other hand, they absorb and re-emit terrestrial radiation, which causes a warming. How clouds change in a warmer climate is one of the largest uncertainties for the equilibrium climate sensitivity (ECS). While a large spread in the cloud feedback arises from low-level clouds, it was recently shown that also mixed-phase clouds are important for ECS. If mixed-phase clouds in the current climate contain too few supercooled cloud droplets, too much ice will change to liquid water in a warmer climate. As shown by Tan et al. (2016), this overestimates the negative cloud phase feedback and underestimates ECS in the CAM global climate model (GCM). Here we are using the newest version of the ECHAM6-HAM2 GCM to investigate the importance of mixed-phase clouds for ECS. Although we also considerably underestimate the fraction of supercooled liquid water globally in the reference version of ECHAM6-HAM2 GCM, we do not obtain increases in ECS in simulations with more supercooled liquid water in the present-day climate, contrary to the findings by Tan et al. (2016). We hypothesize that it is not the global supercooled liquid water fraction that matters, but only how well low- and mid-level mixed-phase clouds with cloud top temperatures in the mixed-phase temperature range between 0 and −35 ºC are simulated. These occur most frequent in mid-latitudes, in particular over the Southern Ocean where they determine the amount of absorbed shortwave radiation. In ECHAM6-HAM2 the amount of absorbed shortwave radiation over the Southern Ocean is only overestimated if all clouds below 0 ºC consist exclusively of ice and only in this simulation is ECS is significantly smaller than in all other simulations. Hence, the negative cloud phase feedback seems to be important only if the optically thin low- and mid-level mid-latitude clouds have the wrong phase (ice instead of liquid water) in the absence of overlying clouds. In all other simulations, changes in cloud feedbacks associated with cloud amount and cloud top pressure, dominate.
Improved cloud-phase determination of low-level liquid and mixed-phase clouds by enhanced polarimetric lidar
Authors: Stillwell Robert A. , Neely III Ryan R. , Thayer Jeffrey P. , Shupe Matthew D. , Turner David D.
Published: February 2018

Abstract. The unambiguous retrieval of cloud phase from polarimetric lidar observations is dependent on the assumption that only cloud scattering processes affect polarization measurements. A systematic bias of the traditional lidar depolarization ratio can occur due to a lidar system's inability to accurately measure the entire backscattered signal dynamic range, and these biases are not always identifiable in traditional polarimetric lidar systems. This results in a misidentification of liquid water in clouds as ice, which has broad implications on evaluating surface energy budgets. The Clouds Aerosol Polarization and Backscatter Lidar at Summit, Greenland employs multiple planes of linear polarization, and photon counting and analog detection schemes, to self evaluate, correct, and optimize signal combinations to improve cloud classification. Using novel measurements of diattenuation that are sensitive to both horizontally oriented ice crystals and counting system nonlinear effects, unambiguous measurements are possible by over constraining polarization measurements. This overdetermined capability for cloud-phase determination allows for system errors to be identified and quantified in terms of their impact on cloud properties. It is shown that lidar system dynamic range effects can cause errors in cloud-phase fractional occurrence estimates on the order of 30 % causing errors in attribution of cloud radiative effects on the order of 10–30 %. This paper presents a method to identify and remove lidar system effects from atmospheric polarization measurements and uses co-located sensors at Summit to evaluate this method. Enhanced measurements are achieved in this work with non-orthogonal polarization retrievals as well as analog and photon counting detection facilitating a more complete attribution of radiative effects linked to cloud properties.
Effects of moisture absorption on damage progression and strength
of unidirectional and cross-ply fiberglass-epoxy composites
Authors: Nunemaker Jake D. , Voth Michael M. , Miller David A. , Samborsky Daniel D. , Murdy Paul , Cairns Douglas S.
Published: February 2018

Abstract. Fiber-Reinforced-Polymer composites (FRP's) possess superior mechanical properties and formability, making them a desirable material for construction of large optimized mechanical structures, such as aircraft, wind turbines, and marine hydro kinetic (MHK) devices. However, exposure to harsh marine environments can result in moisture absorption into the microstructure of the FRP's comprising these structures and often degrading mechanical properties. Specifically, laminate static and fatigue strengths are often significantly reduced, which must be considered in design of FRP structures in marine environments. A study of fiber-glass epoxy unidirectional and cross-ply laminates was conducted to investigate hygrothermal effects on the mechanical behavior of a common material system used in wind applications. Several laminates were aged in 50 °C distilled water until maximum saturation was reached. Unconditioned control and the saturated samples were tested in quasi-static tension with the accompaniment of Acoustic Emission (AE) monitoring. Cross-ply laminates experienced 54 % reduction in strengths from due to moisture absorption, while unidirectional laminates strengths were reduced by 40 %. Stress-strain curves and AE activity of the samples were analyzed to identify changes in damage progression due to aging.
Orthopaedic Considerations in the Management of Skeletal Sarcoidosis
Authors: Crawford Brooke , Badlissi Fadi , Lozano Calderón Santiago A.
Published: February 2018

Advanced imaging has demonstrated that musculoskeletal manifestations of systemic sarcoidosis are more common than previously thought. A definitive strategy for the management of osseous sarcoidosis has not been defined. Some lesions resolve spontaneously, and no systemic medication for sarcoidosis consistently resolves lesions. The orthopaedic surgeon treating patients with musculoskeletal sarcoidosis must make an appropriate diagnosis of bony lesions, seek multidisciplinary input from specialists in pulmonology and rheumatology regarding systemic treatment, and decide when surgery is necessary to prevent dysfunction.
Selected psychological factors in elite male and female wrestlers
Authors: Rutkowska Katarzyna , Gierczuk Dariusz
Published: February 2018

Introduction. The study was designed to measure emotional intelligence of elite male and female wrestlers and to analyse their stress coping styles.
Material and methods. A group of elite male and female wrestlers aged 18-26 years was studied. The psychological factors were analysed using two research tools: the Two-Dimensional Inventory of Emotional Intelligence (DINEMO) and the Coping Inventory for Stressful Situations (CISS).
Results. The study participants achieved average scores for emotional intelligence and for particular stress-coping styles. Measurements of the selected psychological factors showed that male wrestlers and female wrestlers were significantly different from each other. The female wrestlers had a lower level of intrapersonal emotional intelligence. The male wrestlers had higher scores for the task-oriented style of coping with stress while the female athletes scored higher on the avoidance style.
Conclusions. Emotional intelligence and stress-coping styles are among psychological factors that influence the functioning of male and female wrestlers in sport and personal life. A need has been identified to shape and develop their emotional intelligence and adaptive stress coping styles.
Highlights of the 2nd Brazilian student council symposium, organized by ISCB Regional Student Group Brazil
Authors: Assis Geraldo Juliana , Silva Francislon , Horacio Elvira C. A , Leao Aniele , Brayan Antony , Fernandes Gabriel , Da Rocha Coimbra Nilson
Published: February 2018

This report summarizes the scientific content and activities of the second edition of the Brazilian Student Council Symposium organized by the Regional Student Group Brazil (RSG-Brazil), a branch of the International Society for Computational Biology (ISCB). The event were held preceding the thirteen AB3C Conference (13th X-meeting 2017) in São Pedro, São Paulo, Brazil, on October 4, 2017. The 2nd BR-SCS was attended by 78 delegates from all student level (undergraduate, graduate and post-docs students) and consisted of two keynote presentations, eight students oral presentations and 15 posters presentation.
Long-term changes in diversity in a subtropical estuary in southern Brazil
Authors: Muelbert Jose H , Odebrecht Clarisse , Copertino Margareth , Muxagata Erik , Colling Andre L , Vieira João P , Secchi Eduardo R
Published: February 2018

The Patos Lagoon (10,000 km2) is the dominant feature in the coastal plain of Southern Brazil. The estuary of the Patos Lagoon (32° 05' S, 52° 10'W) and adjacent coast were chosen as a SITE (1,500 km2) for the Brazilian Long Term Ecological Research (LTER). This region presents high biological productivity and at the same time is host of important port and industrial activities. From 2000 to 2015, systematic sampling of physico-chemical variables and of the main constituents from plankton, benthos and nekton was conducted monthly. Species diversity index were calculated to express changes in diversity in the estuary. The estuary is a river-dominated system with discharge maxima associated with strong rainfall and low discharge periods occurring during drought years. This has direct influence on the circulation and salinity variations, with low values recorded during El Niño and high salt-water intrusion during La Niña years. Results reveal that species composition of phytoplankton, zooplankton, benthic flora and macrofauna in the estuary are all affected by different scales of variability. The fact that ENSO is a dominant forcing factor in the region highlights the importance of long term monitoring of biological components of coastal and ocean observing systems.
Spatial structure of disordered proteins dictates conductance and selectivity in nuclear pore complex mimics
Authors: Ananth Adithya N , Mishra Ankur , Frey Steffen , Dwarkasing Arvind , Versloot Roderick , van der Giessen Erik , Görlich Dirk , Onck Patrick , Dekker Cees
Published: February 2018

Nuclear pore complexes (NPCs) lined with intrinsically disordered FG-domains act as selective gatekeepers for molecular transport between the nucleus and the cytoplasm in eukaryotic cells. The underlying physical mechanism of the intriguing selectivity is still under debate. Here, we probe the transport of ions and transport receptors through biomimetic NPCs consisting of Nsp1 domains attached to the inner surface of solid-state nanopores. We examine both wildtype FG-domains and hydrophilic SG-mutants. FG-nanopores showed a clear selectivity as transport receptors can translocate across the pore whereas other proteins cannot. SG mutant pores lack such selectivity. To unravel this striking difference, we present coarse-grained molecular dynamics simulations that reveal that FG-pores exhibit a high-density, nonuniform protein distribution, in contrast to a uniform and significantly less-dense protein distribution in the SG-mutant. We conclude that the sequence-dependent density distribution of disordered proteins inside the NPC plays a key role for its conductivity and selective permeability.
Role of framework mutations and antibody flexibility in the evolution of broadly neutralizing antibodies
Authors: Ovchinnikov Victor , Louveau Joy E , Barton John P , Karplus Martin , Chakraborty Arup K
Published: February 2018

Eliciting antibodies that are cross reactive with surface proteins of diverse strains of highly mutable pathogens (e.g., HIV, influenza) could be key for developing effective universal vaccines. Mutations in the framework regions of such broadly neutralizing antibodies (bnAbs) have been reported to play a role in determining their properties. We used molecular dynamics simulations and models of affinity maturation to study specific bnAbs against HIV. Our results suggest that there are different classes of evolutionary lineages for the bnAbs. If germline B cells that initiate affinity maturation have high affinity for the conserved residues of the targeted epitope, framework mutations increase antibody rigidity as affinity maturation progresses to evolve bnAbs. If the germline B cells exhibit weak/moderate affinity for conserved residues, an initial increase in flexibility via framework mutations may be required for the evolution of bnAbs. Subsequent mutations that increase rigidity result in highly potent bnAbs. Implications of our results for immunogen design are discussed.
Polycystin-2 is an essential ion channel subunit in the primary cilium of the renal collecting duct epithelium
Authors: Liu Xiaowen , Vien Thuy , Duan Jingjing , Sheu Shu-Hsien , DeCaen Paul G , Clapham David E
Published: February 2018

Mutations in the polycystin genes, PKD1 or PKD2, results in Autosomal Dominant Polycystic Kidney Disease (ADPKD). Although a genetic basis of ADPKD is established, we lack a clear understanding of polycystin proteins’ functions as ion channels. This question remains unsolved largely because polycystins localize to the primary cilium – a tiny, antenna-like organelle. Using a new ADPKD mouse model, we observe primary cilia that are abnormally long in cells associated with cysts after conditional ablation of Pkd1 or Pkd2. Using primary cultures of collecting duct cells, we show that polycystin-2, but not polycystin-1, is a required subunit for the ion channel in the primary cilium. The polycystin-2 channel preferentially conducts K+ and Na+; intraciliary Ca2+, enhances its open probability. We introduce a novel method for measuring heterologous polycystin-2 channels in cilia, which will have utility in characterizing PKD2 variants that cause ADPKD.
Muscle Activity during Dryland Swimming while Wearing a Triathlon Wetsuit
Authors: Agnelli Ciro , Mercer John A.
Published: February 2018

Background: Triathletes typically wear a wetsuit during the swim portion of an event, but it is not clear if muscle activity is influenced by wearing a wetsuit. Purpose: To investigate if shoulder muscle activity was influenced by wearing a full-sleeve wetsuit vs. no wetsuit during dryland swimming. Methods: Participants (n=10 males; 179.1±13.2 cm; 91.2±7.25 kg; 45.6±10.5 years) completed two dry land swimming conditions on a swim ergometer: No Wetsuit (NW) and with Wetsuit (W). Electromyography (EMG) of four upper extremity muscles was recorded (Noraxon telemetry EMG, 500 Hz) during each condition: Trapezius (TRAP), Triceps (TRI), Anterior Deltoid (AD) and Posterior Deltoid (PD). Each condition lasted 90 seconds with data collected during the last 60 seconds. Resistance setting was self-selected and remained constant for both conditions. Stroke rate was controlled at 60 strokes per minute by having participants match a metronome. Average (AVG) and Root Mean Square (RMS) EMG were calculated over 45 seconds and each were compared between conditions using a paired t-test (α=0.05) for each muscle. Results: PD and AD AVG and RMS EMG were each greater (on average 40.0% and 66.8% greater, respectively) during W vs. NW (p<0.05) while neither TRAP nor TRI AVG or RMS EMG were different between conditions (p>0.05). Conclusion: The greater PD and AD muscle activity while wearing a wetsuit might affect swimming performance and /or stroke technique on long distance event.
Evaluating Mesoscale Simulations of the Coastal Flow Using Lidar Measurements
Authors: Floors R. , Hahmann A. N. , Peña A.
Published: February 2018

The atmospheric flow in the coastal zone is investigated using lidar and mast measurements and model simulations. Novel dual‐Doppler scanning lidars were used to investigate the flow over a 7 km transect across the coast, and vertically profiling lidars were used to study the vertical wind profile at offshore and onshore positions. The Weather, Research and Forecasting model is set up in 12 different configurations using 2 planetary boundary layer schemes, 3 horizontal grid spacings and varied sources of land use, and initial and lower boundary conditions. All model simulations describe the observed mean wind profile well at different onshore and offshore locations from the surface up to 500 m. The simulated mean horizontal wind speed gradient across the shoreline is close to that observed, although all simulations show wind speeds that are slightly higher than those observed. Inland at the lowest observed height, the model has the largest deviations compared to the observations. Taylor diagrams show that using ERA‐Interim data as boundary conditions improves the model skill scores. Simulations with 0.5 and 1 km horizontal grid spacing show poorer model performance compared to those with a 2 km spacing, partially because smaller resolved wave lengths degrade standard error metrics. Modeled and observed velocity spectra were compared and showed that simulations with the finest horizontal grid spacing resolved more high‐frequency atmospheric motion.
Evaluation of CMAQ Coupled With a State‐of‐the‐Art Mercury Chemical Mechanism (CMAQ‐newHg‐Br)
Authors: Ye Zhuyun , Mao Huiting , Driscoll Charles T. , Wang Yan , Zhang Yanxu , Jaeglé Lyatt
Published: February 2018

Most regional three‐dimensional chemical transport models neglect gaseous elemental mercury (GEM) oxidation by bromine (Br) radicals and Br chemistry. In this study, the Community Multiscale Air Quality model with its default mercury module (CMAQ‐Hg) was modified by implementing a state‐of‐the‐art algorithm depicting Hg reactions coupled with Br chemistry (CMAQ‐newHg‐Br). Using CMAQ‐newHg‐Br with initial and boundary concentrations (ICs and BCs) from global model output, we conducted simulations for the northeastern United States over March–November 2010. Simulated GEM mixing ratios were predominantly influenced by BCs and hence reflected significant seasonal variation that was captured in the global model output as opposed to a lack of seasonal variation using CMAQ‐Hg's default constant BCs. Observed seasonal percentage changes (i.e., seasonal amplitude [=maximum – minimum] in percentage of the seasonal average) of gaseous oxidized mercury (GOM) and particulate bound mercury (PBM) were 76% and 39%, respectively. CMAQ‐newHg‐Br significantly improved the simulated seasonal changes in GOM and PBM to 43% and 23%, respectively, from 18% and 16% using CMAQ‐Hg. CMAQ‐newHg‐Br reproduced observed Hg wet deposition with a remarkably low fractional bias (FB; 0.4%) as opposed to a −56% to 19% FB for CMAQ‐Hg simulations. Simulated Hg dry deposition using CMAQ‐newHg‐Br excluding the GEM + OH reaction agreed well with studies using inferential methods and litterfall/throughfall measurements, and the discrepancy varied over 13%–42%. This study demonstrated the promising capability of CMAQ‐newHg‐Br to reproduce observed concentrations and seasonal variations of GEM, GOM and PBM, and Hg wet and dry deposition fluxes.
Titin Gene (
TTN
): Description of the Gene Coding for Titin, a Giant Protein of Critical Importance for Myofibrillar Integrity and Elasticity in Vertebrate Striated Muscle
Authors: Labeit Siegfried , Labeit Dittmar , Granzier Henk
Published: February 2018

Up to 34 350 residues long, titin is the largest protein described to date. The titin locus in human located on chromosome 2q24 expresses up to 100 kb (kilobase) full‐length mRNAs (messenger ribonucleic acid) that are translated into giant polypeptides. Titin is an abundant vertebrate muscle protein, spanning half of the sarcomere.
In situ
, 1–2
μ
m long titin polypeptides establish a sarcomeric filament system that is critical for myofibrillar integrity and elasticity. Biomechanically, the titin filament is a fine‐tuned component of the muscle passive force that is regulated trough alternative splicing, posttranslational modifications and protein–protein interactions. A variety of molecular interactions with stress‐regulated ligands position titin centrally in stretch‐dependent signalling in muscle. Consistent with this, a plethora of mutations in the titin filament system cause hereditary myopathies affecting heart, diaphragm and skeletal muscles. In particular, stop codons in one titin allele are a major cause of hereditary dilative cardiomyopathy.

Key Concepts

Sarcomeres consist of precisely assembled proteins that together form the basic functional units of striated muscle and that give rise to efficient and finely tuned contraction.

In muscle tissues, 1
–
2 µm single titin polypeptide chains span half of the sarcomere.

The intrasarcomeric filamentous titin protein provides sarcomeres with intrinsic elasticity and couples stretch‐dependent signalling to muscle remodelling.

Titin molecule is tailored to physiological requirements of different muscles through alternative splicing, posttranslational modifications and protein
–
protein interactions.

Consistent with titin's central role in muscle biology, mutations in its gene cause myopathies in heart, skeletal and diaphragm muscle tissues.
2D Nanomaterial Arrays for Electronics and Optoelectronics
Authors: Gong Chuanhui , Hu Kai , Wang Xuepeng , Wangyang Peihua , Yan Chaoyi , Chu Junwei , Liao Min , Dai Liping , Zhai Tianyou , Wang Chao , Li Liang , Xiong Jie
Published: February 2018

Two‐dimensional (2D) materials, benefitting from their unique planar structure and various appealing electronic properties, have attracted much attention for novel electronic and optoelectronic applications. As a basis for practical devices, the study of micro/nano‐2D material arrays based on coupling effects and synergistic effects is critical to the functionalization and integration of 2D materials. Moreover, micro/nano‐2D material arrays are compatible with traditional complementary metal oxide semiconductor (CMOS) electronics, catering well to high‐integration, high‐sensitivity, and low‐cost sensing and imaging systems. This review presents some recent studies on 2D material arrays in sequence from their novel preparations to high‐integration applications as well as explorations on dimension tuning. A first focus is on various typical fabrication methods for 2D material arrays, including photolithography, 2D printing, seeded growth, van der Waals epitaxial growth, and self‐assembly. Then, the applications of 2D material arrays, such as field effect transistors, photodetectors, pressure sensors, as well as flexible electronic devices of photodetectors and strain sensors, are elaborately introduced. Furthermore, the recent burgeoning exploration of mixed‐dimensional heterostructure arrays including 0D/2D, 1D/2D, and 3D/2D is discussed. Ultimately, conclusions and an outlook based on the current developments in this promising field are presented.
Low‐Cost Chitosan‐Derived N‐Doped Carbons Boost Electrocatalytic Activity of Multiwall Carbon Nanotubes
Authors: Qiao Mo , Meysami Seyyed Shayan , Ferrero Guillermo Alvarez , Xie Fei , Meng Han , Grobert Nicole , Titirici Maria‐Magdalena
Published: February 2018

An effective strategy is proposed to enhance the oxygen reduction reaction (ORR) performance of multiwall carbon nanotubes (MWCNTs) in both acid and alkaline electrolytes by coating them with a layer of biomass derivative N‐doped hydrothermal carbons. The N‐doped amorphous carbon coating plays triple roles: it (i) promotes the assembly of MWCNTs into a 3D network therefore improving the mass transfer and thus increasing the catalytic activity; (ii) protects the Fe‐containing active sites, present on the surface of the MWCNTs, from H2O2 poisoning; (iii) creates nitrogenated active sites and hence further enhances ORR activity and robustness.
When 2D Materials Meet Molecules: Opportunities and Challenges of Hybrid Organic/Inorganic van der Waals Heterostructures
Authors: Gobbi Marco , Orgiu Emanuele , Samorì Paolo
Published: February 2018

van der Waals heterostructures, composed of vertically stacked inorganic 2D materials, represent an ideal platform to demonstrate novel device architectures and to fabricate on‐demand materials. The incorporation of organic molecules within these systems holds an immense potential, since, while nature offers a finite number of 2D materials, an almost unlimited variety of molecules can be designed and synthesized with predictable functionalities. The possibilities offered by systems in which continuous molecular layers are interfaced with inorganic 2D materials to form hybrid organic/inorganic van der Waals heterostructures are emphasized. Similar to their inorganic counterpart, the hybrid structures have been exploited to put forward novel device architectures, such as antiambipolar transistors and barristors. Moreover, specific molecular groups can be employed to modify intrinsic properties and confer new capabilities to 2D materials. In particular, it is highlighted how molecular self‐assembly at the surface of 2D materials can be mastered to achieve precise control over position and density of (molecular) functional groups, paving the way for a new class of hybrid functional materials whose final properties can be selected by careful molecular design.
Quartet Sampling distinguishes lack of support from conflicting support in the green plant tree of life
Authors: Pease James B. , Brown Joseph W. , Walker Joseph F. , Hinchliff Cody E. , Smith Stephen A.
Published: February 2018

Premise of the Study

Phylogenetic support has been difficult to evaluate within the green plant tree of life partly due to a lack of specificity between conflicted versus poorly informed branches. As data sets continue to expand in both breadth and depth, new support measures are needed that are more efficient and informative.

Methods

We describe the Quartet Sampling (QS) method, a quartet‐based evaluation system that synthesizes several phylogenetic and genomic analytical approaches. QS characterizes discordance in large‐sparse and genome‐wide data sets, overcoming issues of alignment sparsity and distinguishing strong conflict from weak support. We tested QS with simulations and recent plant phylogenies inferred from variously sized data sets.

Key Results

QS scores demonstrated convergence with increasing replicates and were not strongly affected by branch depth. Patterns of QS support from different phylogenies led to a coherent understanding of ancestral branches defining key disagreements, including the relationships of Ginkgo to cycads, magnoliids to monocots and eudicots, and mosses to liverworts. The relationships of ANA‐grade angiosperms (Amborella, Nymphaeales, Austrobaileyales), major monocot groups, bryophytes, and fern families are likely highly discordant in their evolutionary histories, rather than poorly informed. QS can also detect discordance due to introgression in phylogenomic data.

Conclusions

Quartet Sampling is an efficient synthesis of phylogenetic tests that offers more comprehensive and specific information on branch support than conventional measures. The QS method corroborates growing evidence that phylogenomic investigations that incorporate discordance testing are warranted when reconstructing complex evolutionary histories, in particular those surrounding ANA‐grade, monocots, and nonvascular plants.
Elektrolytadditive für Lithiummetallanoden und wiederaufladbare Lithiummetallbatterien: Fortschritte und Perspektiven
Authors: Zhang Heng , Eshetu Gebrekidan Gebresilassie , Judez Xabier , Li Chunmei , Rodriguez‐Martínez Lide M. , Armand Michel
Published: February 2018

Wiederaufladbare Lithiummetall(Li0)‐Batterien (LMBs), z. B. Systeme mit einer Li0‐Anode und einer Interkalations‐ und/oder Konversionskathode, Lithium‐Schwefel(Li‐S)‐ und Lithium‐Sauerstoff/Luft(Li‐O2/Luft)‐Batterien, erfreuen sich zunehmender Beliebtheit im Zusammenhang mit der Elektrifizierung von Transportsystemen und dem Ziel einer nachhaltigen Mobilität. Einige wiederaufladbare LMBs werden bereits für Nischenanwendungen vermarktet (z. B. Li0/LiFePO4‐Batterien von Bolloré Bluecar, Li‐S‐Batterien von OXIS Energy und Sion Power). Ihrer großflächigen Verbreitung stellen sich allerdings hohe Hindernisse in den Weg, z. B. Bildung von Lithiumdendriten, Elektrolytinstabilität gegenüber Hochspannungskathoden des Interkalationstyps, schlechte Elektronen‐ und Ionenleitfähigkeiten von Schwefel (S8) und O2 sowie der jeweiligen Reduktionsprodukte (z. B. Li2S und Li2O) und das Auflösen und Shuttling von Polysulfid‐Intermediaten (PS). Letztlich ergibt dies eine kurze Lebensdauer, einen geringen Coulomb‐/Energiewirkungsgrad, eine hohe Selbstentladerate und mangelnde Betriebssicherheit. Die Verwendung von Elektrolytadditiven gilt als die praktikabelste, wirtschaftlichste und wirksamste Lösungsstrategie für diese Probleme. Der vorliegende Aufsatz gibt einen detaillierten Einblick in die Forschung auf dem Gebiet der Elektrolytadditive für wiederaufladbare LMBs. Weiterhin enthält er eine Übersicht über Funktionsadditive für Batterien mit Li‐Anode und Interkalationskathode, für Li‐S‐Batterien und für Li‐O2‐Batterien. Die Darstellung des aktuellen Forschungsstands soll zu Überlegungen über neue Wege zu attraktiven Baulementen anregen.
Me3Si−SiMe2[oCON(iPr)2−C6H4]: An Unsymmetrical Disilane Reagent for Regio‐ and Stereoselective Bis‐Silylation of Alkynes
Authors: Xiao Peihong , Cao Yanjun , Gui Yingying , Gao Lu , Song Zhenlei
Published: February 2018

The air‐stable unsymmetrical disilane Me3Si−SiMe2[oCON(iPr)2C6H4] has been developed for bis‐silylation of alkynes. This reagent tolerates a range of functional groups, providing Z‐vinyl disilanes in high yields. It is proposed that the phenyl‐ring‐tethered amide group directs oxidative addition of Pd0 into the Si−Si bond, which might facilitate formation of a six‐membered Pd cycle, generating products with good to excellent regioselectivity.
Capillary breakup extensional rheometry of associative and hydrolyzed polyacrylamide polymers for oil recovery applications
Authors: Azad Madhar S , Dalsania Yogesh Kumar , Trivedi Japan J.
Published: February 2018

High molecular weight polymers used for heavy oil recovery exhibit viscoelasticity that can influence the oil recovery during chemical enhanced oil recovery. Different polymers having similar molecular weight and shear rheology may have different elongation flow behavior depending on their extensional properties. Displacing slugs are more likely to stretch than shear in tortuous porous media. Therefore, it is critical to seek an analytical tool that can characterize extensional parameters to improve polymer selection criteria. This article focuses on the extensional characterization of two polymers (hydrolyzed polyacrylamide and associative polymer) having identical shear behavior using capillary breakup extensional rheometer to explain their different porous media behavior. Maximum extensional viscosity at the critical Deborah number and Deborah number in porous media classified the associative polymer as the one having high elastic‐limit. Extensional characterization results were complemented by significantly higher pressure drop, marginally increased oil recovery of associative polymer in porous media. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46253.
More than ethanol: a techno‐economic analysis of a corn stover‐ethanol biorefinery integrated with a hydrothermal liquefaction process to convert lignin into biochemicals
Authors: Bbosa Denis , Mba‐Wright Mark , Brown Robert C.
Published: February 2018

High‐value chemicals from lignin could increase the profitability of lignocellulosic biorefineries. Besides lignin from the paper and pulp industry, ethanol plants produce lignin as a waste; thus, the objective of this work is to evaluate the techno‐economics of integrating hydrothermal liquefaction of lignin to produce biochemicals within ethanol biorefineries. This paper evaluates a 2000 metric tonne per day (MTPD) corn‐stover biorefinery producing 61 MMgal/yr. of ethanol and different yields of lignin‐derived biochemicals. A minimum ethanol selling price (MESP) of $1.03 ± 0.19 per gallon was computed considering the production of lignin‐derived catechol, phenol, cresols, acetic acid, formic acid, furfural, and acetaldehyde. The most influential factors on MESP identified are fixed capital investment, internal rate of return (IRR), feedstock price, cresols, catechol, and acetic acid prices. In terms of costs, the total purchased equipment cost is $114.5 MM, total installed cost (TIC) is $345.7 MM, and total capital investment is $624.5 MM. However, ethanol biorefineries adopting this lignin‐to‐chemicals strategy could still face higher levels of price uncertainty. The hydrothermal liquefaction process for the production of lignin‐derived chemicals is in the early stages of development; thus more laboratory and pilot‐scale research is needed to establish its potential for commercialization. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
Handheld augmented reality system for resistive electric circuits understanding for undergraduate students
Authors: Reyes‐Aviles Fernando , Aviles‐Cruz Carlos
Published: February 2018

Augmented Reality (AR) is a recognized technology having a great potential to enhance the cognitive learning process. In this paper, a mobile AR system is proposed which helps in the understanding of resistive electric circuits for undergraduate engineering students. The designed system employs a smartphone, a measuring instrument, and a resistive circuit on a breadboard. The smartphone captures a photograph of the electric circuit and receives data from the measuring instrument (current and voltage) to calculate theoretical values and generate a layer of virtual objects which is then merged with the original image and displayed on the screen of the smartphone. In order to display the AR, a markless method is developed for a typical circuit for identifying resistors in a circuit and set virtual objects over it. The developed circuit displays (via AR) the theoretical current, voltage, power, and their measured values, as well as the error for each parameter. Technical efficiency of the developed system is 98%. Additionally, a satisfaction qualitative study is presented.
Lysine‐241 Has a Role in Coupling 2OG Turnover with Substrate Oxidation During KDM4‐Catalysed Histone Demethylation
Authors: Hancock Rebecca L. , Abboud Martine I. , Smart Tristan J. , Flashman Emily , Kawamura Akane , Schofield Christopher J. , Hopkinson Richard J.
Published: February 2018

The JmjC histone lysyl demethylases (KDMs) play important roles in modulating histone methylation states and have the potential to be regulated by oxygen availability. Lys241 of the KDM4 subfamily is proposed to be important in oxygen binding by KDM4A. We report evidence that, although Lys241 is unlikely to be directly involved in oxygen binding, it has an important role in coupling 2‐oxoglutarate cosubstrate oxidation with lysine demethylase activity. The results suggest that compounds promoting the uncoupling of substrate oxidation are of interest as JmjC‐KDM inhibitors.
Regioselective C−H Alkylation via Carboxylate‐Directed Hydroarylation in Water
Authors: Zhang Guodong , Jia Fan , Gooßen Lukas J.
Published: February 2018

In the presence of catalytic [RuCl2(p‐cym)]2 and using Li3PO4 as the base, benzoic acids react with olefins in water to afford the corresponding 2‐alkylbenzoic acids in moderate to excellent yields. This C−H alkylation process is generally applicable to diversely substituted electron‐rich and electron‐deficient benzoic acids, along with α,β‐unsaturated olefins including unprotected acrylic acid. The widely available carboxylate directing group can be removed or utilized for further derivatization. Mechanistic investigations revealed that the transformation proceeds via a ruthenacycle intermediate.