bluuebunny/crossref_metadata_2025 huggingface dataset:
Cobalt-Catalyzed Cycloisomerization of N,N-Diallylanilines
Authors: Liu Jun , Yang Zhanhui , Zheng Minfang , Wu Hongfei , Chen Ning , Xu Jiaxi
Published: May 2019

Cobalt catalysts bearing 2-imino-1,10-phenanthroline ligands are quite efficient bench-stable catalysts for the oligomerization of ethylenes. Herein, their further application was developed in the catalytic transformation of N,N-diallylanilines to pyrrolidines through a cycloisomerization process. In this protocol, chlorobenzene is a vital additive to promote reaction efficiency.
Assessment of Patellar Tendinopathy in Professional Basketball Players using Algometry
Authors: Benítez-Martínez Josep C. , Martínez-Ramírez Pablo , Valera-Garrido Fermín , Medina-Mirapeix Francesc
Published: May 2019

Introduction Palpation tenderness is one of the clinical signs used in the diagnosis of patellar tendinopathy (PT). Despite the widespread use of pain pressure thresholds (PPTs) for assessment purposes, it is unknown whether other variables may influence the results of this test and its precision to discriminate between knees with and without PT.

Objective To identify the discriminative accuracy of PPTs as a diagnostic test of PT in professional basketball players, used both in an isolated manner and in combination with other tests.

Material and Methods An observational study with professional basketball players in which the main variable measured was the PPT, and the secondary variables were the Victorian Institute of Sport Assessment, Patellar tendon (VISA-P) questionnaire and the visual analogue scale (VAS). Age, weight and height were gathered as potential covariates. The receiver operating characteristic (ROC) curve was constructed with the data of the area under the ROC curve (AUC), used to determine the precision of the PPT applied on its own or combined with other secondary variables and covariates.

Results In total, 146 patellar tendons of 73 players were analyzed. When analyzing the differences between the PPT of healthy tendons and those with PT, differences were found between the dominant leg and the non-dominant leg. Regarding the cut-off points, the most precise discrimination of a tendon with PT was 8.8 kg/cm2 for an isolated PPT test and 14% for its combination with the VAS.

Conclusions This study shows the effectiveness of combining the data from the PPT and the VAS scores. Therefore, both tests should be used for the assessment of PT in professional basketball players, as this combination increases the discriminatory accuracy. Furthermore, these tests are easily applied in clinical practice.
Pathological Sonographic Values in Peripheral Nerve Entrapments—A Literature Review
Authors: Bolívar Gázquez Jesús Miguel , Bellosta-López Pablo
Published: May 2019

Introduction In recent years, musculoskeletal ultrasound has become an important tool for the assessment of peripheral nerve entrapments in human subjects.

Objective To research sonographic pathological values of peripheral nerve entrapments and to verify the usefulness of ultrasound for the assessment of the same.

Material and Methods A literature search was conducted on the EBSCOHost platform between January 2016 and September 2017.

Results Fifty-four articles were included in this review. Ultrasound showed good diagnostic values for the ulnar tunnel syndrome at the level of the tunnel (sensitivity 72–99%; specificity 53–100%) and at the level of the medial epicondyle (sensitivity 72–92%; specificity 75–93%).

Conclusions Sonographic assessments may be considered a valid tool for the assessment of the peripheral nervous system. High diagnostic precision exists for the cross-sectional area in carpal tunnel syndrome and ulnar tunnel syndrome. There is a lack of evidence regarding the diagnosis of other neuropathies.
Pantarsal Arthrodesis to Treat a Full-Thickness Lateral Trochlear Ridge Osteochondritis Dissecans in a Dog
Authors: Massimo Petazzoni , Michela Buiatti
Published: May 2019

A 5-month-old female Golden Retriever dog presented with a 4-week history of right hindlimb lameness. A bone lesion on the proximal lateral trochlear ridge was detected at radiographic and ultrasound examinations. Osteochondritis dissecans (OCD) or an articular fracture was included in the differential diagnoses. Computed tomography revealed an OCD lesion. A pantarsal arthrodesis was performed using a pre-bent arthrodesis locking plate. Histological analysis revealed pathological features typical of OCD. Clinical and radiographical assessments were performed 7, 15, 62 days and 7, 12 months postoperatively. No signs of pain were elicited upon palpation. Mechanical lameness, secondary to tarsal joint immobilization, was detected.
Nonoperative Treatment of Ulnar Carpometacarpal Fracture–Dislocations
Authors: Jiménez Isidro , Sánchez-Hernández Juan , Kiimetoglou Dimosthenis
Published: May 2019

Background Ulnar carpometacarpal (CMC) joint dislocations and fracture–dislocations are uncommon injuries that are often overlooked. Most authors advocate surgical stabilization in order to prevent a secondary dislocation assuming that these injuries are inherently unstable.

Case Description This is a series of eight ulnar CMC joint dislocations and fracture–dislocations treated by closed reduction and splint immobilization after assessing the joint stability. Mean follow-up was 30.2 months, and minimum follow-up was 12 months. Satisfactory results were obtained in range of motion, grip strength, pain, DASH (Disabilities of the Arm, Shoulder and Hand) questionnaire, and time to return to working activities. In the same period, the closed reduction and cast failed two (20%) cases that were referred for surgery.

Literature Review There is little published literature on the nonoperative treatment of these injuries. Most of them are isolated case reports, whereas the largest series reports four cases. All of them have reported satisfactory results.

Clinical Relevance Based on our results, we believe that if the diagnosis of an ulnar CMC joint dislocation or fracture–dislocation is early accomplished and a concentric and stable reduction is initially achieved, the nonoperative treatment may be a successful option to take into account but requiring a close follow-up for the first week.
How closely aligned are China and Russia? Measuring strategic cooperation in IR
Authors: Korolev Alexander
Published: May 2019

Russia’s high-profile “turn to the East,” the deterioration of Russia–US relations after the Ukraine crisis, and China’s “new assertiveness” in the South and East China Seas have led to the perception that China and Russia are now “aligned” in opposition to US-led unipolarity. However, alignment remains an inchoate term that has not been systematically defined in the international relations literature. Thus, it is difficult to assess the degree to which China and Russia are aligned, as well as the extent to which their strategic cooperation has increased over time. This paper develops and applies an ordinal set of objective criteria for military alignment and applies these criteria to measure the degree of strategic cooperation in post-Cold War China–Russia relations. It also explores China–Russia cooperation across economic and diplomatic dimensions to assess the overall progress in the bilateral relationship over time. Drawing on multiple Chinese and Russian sources, it demonstrates that China and Russia have now developed strong military alignment, if not a full-fledged alliance, and that cooperation on each of the other two dimensions, while not yet as strong, has steadily increased since the end of the Cold War.
Weak convergence to equilibrium of statistical ensembles in integrable Hamiltonian systems
Authors: Mitchell Chad
Published: May 2019

This article explores the long-time behavior of the bounded orbits associated with an ensemble of initial conditions in a nondegenerate integrable Hamiltonian system. Such systems are inherently nonlinear and subject to highly regular phase space filamentation that can drive the ensemble of orbits toward a stationary state. Describing the statistical ensemble by a probability density on a neighborhood of a family of invariant tori, it is proved that the probability density describing the ensemble at time t converges weakly to an invariant density as t → ∞. More generally, we provide sufficient conditions for convergence to equilibrium of a multiphase system in action-angle form. These ideas are applied to an illustrative exactly soluble example. This work is relevant for understanding the statistical mechanics of integrable and near-integrable Hamiltonian systems.
Trace estimation of a family of periodic Sturm-Liouville operators with application to Robe’s restricted three-body problem
Authors: Zhou Qinglong
Published: May 2019

In this paper, we consider a family of Sturm-Liouville operators on the ω-periodic domain. The bifurcation with respect to the parameter region is studied, and the elliptic regions are estimated by trace formula. At last, these results are used to study the linear stability of the elliptic equilibrium point along the z-axis in Robe’s restricted three-body problem.
The impact of wind field spatial heterogeneity and variability on short-term wind power forecast errors
Authors: Yang Mao , Zhang Luobin , Cui Yang , Yang Qiongqiong , Huang Binyang
Published: May 2019

Wind power is associated with uncertainties in scheduling and dispatching to the power grid, because the availability of wind speed is unknown in advance, and precise wind power forecasts are crucial to reducing these uncertainties. However, the accuracy of the wind power prediction, which is driven by average wind speed forecasting, is influenced by the spatial variability of the wind field. In this paper, the mechanisms of how wind power prediction errors are caused by the spatial heterogeneity of wind speeds and wind turbine power curves are analyzed. The degree of spatial heterogeneity of wind farms and errors caused by this are defined, and the relationships between various errors are revealed. We choose wind data collected from one observation site in northeast China as a sample; the results indicate that the short-term wind power prediction error is mainly caused by the inhomogeneity of the power curves. Moreover, these forecast errors can vary with season and installed wind farm capacity.
Effect of near-wake jet on the lock-in of a freely vibrating square cylinder
Authors: Narendran K. , Jaiman R. K.
Published: May 2019

We present a numerical study of a freely vibrating square cylinder with steady bleeding at its base side. In particular, we focus on the suppression of vortex-induced vibration (VIV) and the reduction of drag force for the elastically mounted square cylinder at a laminar flow condition via near-wake jet. We examine the base bleeding mechanism in the near-wake region of a square cylinder and its influence over the flow dynamics and the wake characteristics for both stationary (nonlock-in) and freely vibrating (lock-in) conditions. We consider the near-wake jet parameter as a function of the bleed coefficient (Cq), which is the ratio of near-wake jet flow velocity to the freestream velocity and depends on the Reynolds number (Re) based on the diameter of the cylinder. Investigations of the hydrodynamic coefficients and the flow features are carried out for the laminar Re range, namely, Re = 40, 60, 100, and 150. A single dominant frequency peak is observed in the lift coefficient spectrum plot for all the Reynolds numbers considered, but two peaks are observed for Re = 150 at Cq = 0.175 and 0.2. Higher Cq values behave like a splitter plate thereby preventing the interaction of alternating shear layers. The variation of the mean drag is associated with the pressure distribution around the cylinder surface and along the streamwise locations. This leads to a thinner wake width, weaker vortices, and higher vortex shedding frequency as observed earlier in the literature. The sharp spikes of pressure coefficient at the base side of the cylinder are observed for Re ∈ [40, 150] due to the near-wake jet, accounting for the fluctuations of drag force coefficient. We demonstrate the formation of multiple vortices at the wake region due to the near-wake jet from our detailed qualitative analysis. We observe counter-rotating pair of recirculating fluids flanking at the near-wake jet location and examine the recovery of base pressure due to the jet flow. We demonstrate the splitting of big circulation fluid bubble into many smaller counter-rotating fluids due to high-velocity jet flow, resulting into the stabilization of flow profiles in the wake region. We extend this investigation to quantify the effect of the near-wake jet on the two-degree-of-freedom cylinder system at the representative Reynolds number Re = 100 and three mass ratios m* = 1, 2, and 3. We demonstrate the reduction of peak transverse VIV amplitude by 90% in comparison to the plain cylinder counterpart.
Inadequacy of the extrapolation-length method for modeling the interface of a ferroelectric–graphene heterostructure
Authors: Richman Michael S. , Li Xianping , Caruso A. N.
Published: May 2019

To study a ferroelectric–graphene heterostructure, we employ Ginzburg–Landau–Devonshire theory in conjunction with Kretschmer and Binder's extrapolation-length method for modeling interface lattice relaxation. We rigorously justify a selection of model parameters that we use to predict the properties of a system consisting of the ferroelectric lithium niobate (LiNbO3) (0001) sandwiched between graphene monolayers. By comparing our results to those from first-principles density-functional theory calculations performed by Baeumer et al. [Nat. Commun. 6, 6136 (2015)] for the equivalent system, we demonstrate the inadequacy of the extrapolation-length method for modeling this system. We discuss the relevance of our work to predicting electrical gating.
An ab initio molecular dynamics study of the solvation structure and ultrafast dynamics of lithium salts in organic carbonates: A comparison between linear and cyclic carbonates
Authors: Zhang Xiaoliu , Kuroda Daniel G.
Published: May 2019

Carbonate-based lithium-ion electrolytes are of great importance due to their close relationship with the resulting battery efficiency and safety. Modifying the organic electrolyte has been paramount for achieving more efficient and safer lithium-ion batteries. However, the molecular picture of the electrolyte is still under scrutiny. Lately, ultrafast infrared spectroscopic studies have investigated the solvation structure and dynamics of the lithium ion (Li+) in both linear and cyclic carbonates. However, theoretical studies describing the molecular arrangements and transformation occurring in such time scales are scarce. In this study, ab initio molecular dynamics simulations were used to obtain the molecular structure and dynamics of the Li+ solvation shell in cyclic and linear carbonates. The theoretical results showed that molecular arrangement of the carbonates directly coordinating Li+ is not significantly altered by the carbonate chemical nature. However, the cyclic and linear carbonates showed significant different pictures of the overall solvation shell due to the intercalation phenomenon observed for cyclic carbonates, which significantly alters the motions of coordinated solvent. In addition, the intercalation appears to affect the propensity of ion pair formation and/or solvent exchange. Finally, the dynamics of the geometrical changes of the carbonates solvating Li+ is found to occur with characteristic times of tenths of picoseconds, while ion pair and solvent chemical exchange appear to happen in time scales which are at least an order of magnitude larger. Our study provides a comprehensive picture of the structure and dynamics of the molecular components in different carbonate-based lithium-ion electrolytes occurring in picosecond time scales.
Adaptive image features for intra-hour solar forecasts
Authors: Pedro Hugo T. C. , Coimbra Carlos F. M. , Lauret Philippe
Published: May 2019

We introduce a simple and novel technique to extract dynamic features from sky images in order to increase the accuracy of intrahour forecasts for both Global Horizontal Irradiance (GHI) and Direct Normal Irradiance (DNI) values. The proposed methodology is based on a block-matching algorithm that correctly identifies the bulk motion of clouds relative to the position of the Sun in the sky. Adaptive rectangular- and wedge-shaped Regions Of Interest are used to select the image pixels for the new features. The results show an average increase of 6.8% (6.7%) in forecast skill for GHI (DNI) across all horizons tested as measured against a model with global (nonadaptive) image features. Relative to clear-sky persistence, the new model achieves skills ranging from 20% to 30% (22%–35%) for GHI (DNI), among the highest ever reported for these time horizons. An analysis based on Mutual Information and Pearson correlation coefficients between the image features and the training data reveals overall improvements in all metrics. The proposed adaptive method also improves the predictability of the ramp magnitude and direction.
Translational and rotational diffusion of rod shaped molecules by molecular dynamics simulations
Authors: Heyes D. M.
Published: May 2019

The results of molecular dynamics simulations of the dynamical evolution of assemblies of linear rigid rods of variable aspect ratio, a, and number density, ρ, in the isotropic phase are reported. The rods consist of m equally spaced sites interacting with the Weeks-Chandler-Andersen repulsive pair potential, where 2 < m < 16. With increasing m, features specific to long rods, such as anisotropic self-diffusion, become apparent. There is also an increasing separation between the characteristic relaxation times of the torque, angular velocity, and reorientational time correlation functions with increasing density. The latter is exponential at high densities even for dimers. The isotropic translational diffusion coefficient, Di, and rotational diffusion coefficient, Dr, are reported as a function of m and ρ or volume fraction, ξ. The mDi data scale with ξ throughout much of the simulated range, while the rotational diffusion coefficients scale approximately as m3Dr against ρ at low densities but as ∼m6Dr at high ρ, consistent with theories of colloidal and noncolloidal rod-containing liquids. The crossover density between the two regimes is parameterized in analytic form. The probability distribution functions for displacements and angular jumps in a given time show evidence of non-Gaussian behavior with increasing density. The shear viscosity and Di scale approximately as m and m−1, respectively, in the semidilute regime, which is consistent with a Stokes-Einstein-like relationship. At high concentrations, a frustrated or glassy structure formed in which the rods were randomly oriented.
Experimental and numerical study of elasto-inertial focusing in straight channels
Authors: Raoufi Mohammad Amin , Mashhadian Ali , Niazmand Hamid , Asadnia Mohsen , Razmjou Amir , Warkiani Majid Ebrahimi
Published: May 2019

Elasto-inertial microfluidics has drawn significant attention in recent years due to its enhanced capabilities compared to pure inertial systems in control of small microparticles. Previous investigations have focused mainly on the applications of elasto-inertial sorting, rather than studying its fundamentals. This is because of the complexity of simulation and analysis, due to the presence of viscoelastic force. There have been some investigative efforts on the mechanisms of elasto-inertial focusing in straight channels; however, these studies were limited to simple rectangular channels and neglected the effects of geometry and flow rates on focusing positions. Herein, for the first time, we experimentally and numerically explore the effects of elasticity accompanying channel cross-sectional geometry and sample flow rates on the focusing phenomenon in elasto-inertial systems. The results reveal that increasing the aspect ratio weakens the elastic force more than inertial force, causing a transition from one focusing position to two. In addition, they show that increasing the angle of a channel corner causes the elastic force to push the particles more efficiently toward the center over a larger area of the channel cross section. Following on from this, we proposed a new complex straight channel which demonstrates a tighter focusing band compared to other channel geometries. Finally, we focused Saccharomyces cerevisiae cells (3–5 μm) in the complex channel to showcase its capability in focusing small-size particles. We believe that this research work improves the understanding of focusing mechanisms in viscoelastic solutions and provides useful insights into the design of elasto-inertial microfluidic devices.
Experimental verification of anomalous surface tension temperature dependence at the interface between coexisting liquid-gas phases in magnetic and Stockmayer fluids
Authors: Ivanov Aleksey S.
Published: May 2019

Our early experimental investigation has demonstrated the anomalous surface tension temperature dependence σ(T) at the interface between coexisting liquid-gas phases in magnetic fluids that undergo field-induced first-order phase transition. The σ(T) dependence is anomalous because the drops of a liquid phase condensed under the action of the applied magnetic field H at high temperature T2 exhibit larger surface tension σ(T2) > σ(T1) than the drops condensed at low temperature T1 < T2. This study verifies and confirms the results of the previous experimental investigation of σ(T) in magnetic fluids by performing the experiment, which is based on the analysis of the Plateau-Rayleigh instability of a gas-liquid interface in a zero magnetic field. A novel explanation of this phenomenon is given in the framework of the Stockmayer model. The anomalous increase in σ(T) is explained by the increase in particle concentration difference in gas and liquid phases, which can be attributed to the high field intensity H needed to generate the phase transition at high temperature.
Scalable high-throughput acoustophoresis in arrayed plastic microchannels
Authors: Dubay R. , Lissandrello C. , Swierk P. , Moore N. , Doty D. , Fiering J.
Published: May 2019

Microfluidic acoustophoresis is a label-free technique that isolates a purified product from a complex mixture of cells. This technique is well-studied but thus far has lacked the throughput and device manufacturability needed for many medical and industrial uses. Scale-up of acoustofluidic devices can be more challenging than in other microfluidic systems because the channel walls are integral to the resonant behavior and coupling to neighboring channels can inhibit performance. Additionally, the increased device area needed for parallel channels becomes less practical in the silicon or glass materials usually used for acoustofluidic devices. Here, we report an acoustic separator with 12 parallel channels made entirely from polystyrene that achieves blood cell separation at a flow rate greater than 1 ml/min. We discuss the design and optimization of the device and the electrical drive parameters and compare the separation performance using channels of two different designs. To demonstrate the utility of the device, we test its ability to purify lymphocytes from apheresis product, a process that is critical to new immunotherapies used to treat blood cancers. We process a leukapheresis sample with a volume greater than 100 ml in less than 2 h in a single pass without interruption, achieving greater than 90% purity of lymphocytes, without any prepurification steps. These advances suggest that acoustophoresis could in the future aid in cell therapy bioprocessing and that further scale-up is possible.
A review of the characteristics of the dinoflagellate parasite Ichthyodinium chabelardi and its potential effect on fin fish populations
Authors: Gleason Frank H. , Nagarkar Maitreyi , Chambouvet Aurélie , Guillou Laure
Published: May 2019

This paper focuses on the biology and ecological impacts of Ichthyodinium chabelardi (phylum Dinophyta, class Syndiniophyceae, order Syndiniales), a virulent endobiotic parasite of yolk sacs and young larvae of many species of marine fin fish. Its infections have been observed in warm and temperate open oceanic environments and crowded marine fish tanks. The prevalence of I. chabelardi and the range of its host fishes is not well studied, and our understanding of its life cycle is incomplete. Here, we describe what is known about I. chabelardi infections in fish and we compare this with several other protistan parasites of fish, including Amyloodium ocellatum, Saprolegnia parasitica, Sphaerothecum destruens and the ‘X-cell’ clades Gadixcellia and Xcellia, all of which are considered emerging generalist parasites infecting a wide variety of fin fish species. Recent findings suggest that rising seawater temperatures might lead to higher infection rates in fishes, and we expect that these changing conditions could also expand the ranges of some of these parasitic species. Thus, it is essential that the fishing industry effectively monitors fish tanks and water in the surrounding environments for the presence of zoosporic parasites, including I. chabelardi, so as to take steps to prevent large losses in these fisheries.
Emergence of stable striatal D1R and D2R neuronal ensembles with distinct firing sequence during motor learning
Authors: Sheng Meng-jun , Lu Di , Shen Zhi-ming , Poo Mu-ming
Published: May 2019

Significance

The striatum is a brain region critical for motor and procedure learning. The distinct roles of the two neural pathways through the striatum, known as the direct and indirect pathways, remain to be clarified. Using two-photon calcium imaging of neuronal activity of the same population of dorsolateral striatum (DLS) neurons in behaving mice throughout the learning of a cue-triggered motor task, we discovered that DLS neuronal populations in these two pathways developed stable sequential firing patterns of a distinct time course after motor learning, with direct pathway neurons involved in the initiation of the learned motor action and indirect pathways responsible for suppressing erroneous motor actions. Thus, both pathways are required for motor learning and proper execution of learned motor behaviors.
Influence of the breathing pattern during resistance training on intraocular pressure
Authors: Vera Jesús , Perez‐Castilla Alejandro , Redondo Beatríz , De La Cruz Juan Carlos , Jiménez Raimundo , García‐Ramos Amador
Published: May 2019

This study aimed to assess the effect of the breathing pattern during resistance training on intraocular pressure (IOP). Twenty physically active collegiate students (7 women and 13 men) performed sets of 10 repetitions against the 10‐RM (repetition maximum) load during the back‐squat and biceps‐curl exercises following 3 different breathing patterns: (I) Valsalva: holding the breath during the entire repetition; (II) normal breathing: holding the breath and exhaling during the first and second phases of the repetition, respectively; and (III) modified breathing: inhaling and holding the breath during the first and second phases of the repetition, respectively. Rebound tonometry was used to measure IOP before exercise, after each of the 10 repetitions, and after 1 min of recovery. The breathing pattern significantly affected the changes in IOP values (p < 0.001, = 0.509) with the normal breathing pattern providing lower increases in IOP values compared to the Valsalva (p < 0.001, d = 1.47) and modified breathing (p < 0.001, d = 0.96). Higher IOP values were observed for the back‐squat compared to the biceps‐curl exercise (p = 0.003, = 0.384). A normal breathing pattern should be recommended to avoid abrupt increments in IOP during resistance training. These findings may be especially important for individuals at high risk for glaucoma onset or progression due to the necessity of maintaining stable IOP levels to avoid the progression of this disease. In future studies, the inclusion of glaucoma patients would allow to assess the generalizability of these findings.
Comprehensive knockout analysis of the Rab family GTPases in epithelial cells
Authors: Homma Yuta , Kinoshita Riko , Kuchitsu Yoshihiko , Wawro Paulina S. , Marubashi Soujiro , Oguchi Mai E. , Ishida Morié , Fujita Naonobu , Fukuda Mitsunori
Published: May 2019

The Rab family of small GTPases comprises the largest number of proteins (∼60 in mammals) among the regulators of intracellular membrane trafficking, but the precise function of many Rabs and the functional redundancy and diversity of Rabs remain largely unknown. Here, we generated a comprehensive collection of knockout (KO) MDCK cells for the entire Rab family. We knocked out closely related paralogs simultaneously (Rab subfamily knockout) to circumvent functional compensation and found that Rab1A/B and Rab5A/B/C are critical for cell survival and/or growth. In addition, we demonstrated that Rab6-KO cells lack the basement membrane, likely because of the inability to secrete extracellular matrix components. Further analysis revealed the general requirement of Rab6 for secretion of soluble cargos. Transport of transmembrane cargos to the plasma membrane was also significantly delayed in Rab6-KO cells, but the phenotype was relatively mild. Our Rab-KO collection, which shares the same background, would be a valuable resource for analyzing a variety of membrane trafficking events.
Phosphorylation-dependent Regnase-1 release from endoplasmic reticulum is critical in IL-17 response
Authors: Tanaka Hiroki , Arima Yasunobu , Kamimura Daisuke , Tanaka Yuki , Takahashi Noriyuki , Uehata Takuya , Maeda Kazuhiko , Satoh Takashi , Murakami Masaaki , Akira Shizuo
Published: May 2019

Regnase-1 (also known as Zc3h12a or MCPIP-1) is an endoribonuclease involved in mRNA degradation of inflammation-associated genes. Regnase-1 is inactivated in response to external stimuli through post-translational modifications including phosphorylation, yet the precise role of phosphorylation remains unknown. Here, we demonstrate that interleukin (IL)-17 induces phosphorylation of Regnase-1 in an Act1-TBK1/IKKi–dependent manner, especially in nonhematopoietic cells. Phosphorylated Regnase-1 is released from the endoplasmic reticulum (ER) into the cytosol, thereby losing its mRNA degradation function, which leads to expression of IL-17 target genes. By using CRISPR/Cas-9 technology, we generated Regnase-1 mutant mice, in which IL-17–induced Regnase-1 phosphorylation is completely blocked. Mutant mice (Regnase-1AA/AA and Regnase-1ΔCTD/ΔCTD) were resistant to the IL-17–mediated inflammation caused by T helper 17 (Th17) cells in vivo. Thus, Regnase-1 plays a critical role in the development of IL-17–mediated inflammatory diseases via the Act1-TBK1-IKKi axis, and blockade of Regnase-1 phosphorylation sites may be promising for treatment of Th17-associated diseases.
Structural, vibrational and electronic properties of SnMBO4 (M  =  Al, Ga): a predictive hybrid DFT study
Authors: Curti Mariano , Mendive Cecilia B , Bredow Thomas , Mangir Murshed M , Gesing Thorsten M
Published: May 2019

We propose two new members of the mullite-type family, SnAlBO4 and SnGaBO4, and carry out an in-depth study of their crystal properties using the hybrid method PW1PW. Both are isostructural to PbMBO4 (M  =  Fe, Mn, Al, Ga), which show axial negative linear compressibility (ANLC), among other interesting features. We find that, although Sn2+ is susceptible of being oxidized by oxygen, a suitable range of experimental parameters exists in which the compounds could be synthesized. We observe absence of ANLC below 20 GPa and explain it by the small space occupied by the lone electron pairs, as indicated by the small length of the corresponding Liebau Density Vectors. In agreement with this fact, the structures present a low number of negative mode-Grüneisen parameters, which may also suggest lack of negative thermal expansion. The electronic properties show a remarkable anisotropic behaviour, with a strong dependence of the absorption spectra on light polarization direction.
Direct evaluation of the isotope effect within the framework of density functional theory for superconductors
Authors: Lüders Martin , Cudazzo Pierluigi , Profeta Gianni , Continenza Alessandra , Massidda Sandro , Sanna Antonio , Gross E K U
Published: May 2019

Within recent developments of density functional theory, its numerical implementation and of the superconducting density functional theory is nowadays possible to predict the superconducting critical temperature,

, with sufficient accuracy to anticipate the experimental verification. In this paper we present an analytical derivation of the isotope coefficient within the superconducting density functional theory. We calculate the partial derivative of

with respect to atomic masses. We verified the final expression by means of numerical calculations of isotope coefficient in monatomic superconductors (Pb) as well as polyatomic superconductors (CaC6). The results confirm the validity of the analytical derivation with respect to the finite difference methods, with considerable improvement in terms of computational time and calculation accuracy. Once the critical temperature is calculated (at the reference mass(es)), various isotope exponents can be simply obtained in the same run. In addition, we provide the expression of interesting quantities like partial derivatives of the deformation potential, phonon frequencies and eigenvectors with respect to atomic masses, which can be useful for other derivations and applications.
Effect of inhomogeneous broadening on threshold current of GaN-based green laser diodes
Authors: Liang Yipeng , Liu Jianping , Ikeda Masao , Tian Aiqin , Zhou Renlin , Zhang Shuming , Liu Tong , Li Deyao , Zhang Liqun , Yang Hui
Published: May 2019

The inhomogeneous broadening parameter and the internal loss of green LDs are determined by experiments and theoretical fitting. It is found that the inhomogeneous broadening plays an important role on the threshold current density of green LDs. The green LD with large inhomogeneous broadening even cannot lase. Therefore, reducing inhomogeneous broadening is a key issue to improve the performance of green LDs.
Star-shaped cities alleviate trade-off between climate change mitigation and adaptation
Authors: Pierer Carl , Creutzig Felix
Published: May 2019

To deal with climate change, cities must reduce their greenhouse gas (GHG) emissions and at the same time mitigate climate impacts associated with the physical infrastructure of the built environment. One strand of literature demonstrates that compact cities of sufficient density result in lower GHG emissions in the transport and the buildings sectors compared to sprawled cities. Another strand of literature, however, reveals that compactness hinders climate adaptation by amplifying the urban heat island (UHI) effect. As a result, mitigation and adaptation objectives of cities appear to contradict each other. Here, we develop a geometrical optimization framework and model of a three-dimensional city that minimizes this conflict. It makes use of the observation that low-carbon efficient transport can be realized via linear public transport axes, and that GHG emissions and UHI effects scale differently with varying geometric properties, thus enabling design that reflects both the economics and the climate of cities. We find that star-shaped cities, in contrast to radially symmetric cities, are well suited to alleviate the problematic trade-off. We also demonstrate that urban design considerations depend on transport fuel prices. The results are of particular importance for city planners of rapidly urbanizing cities in Asia and Africa who still have the potential to shape urban layout.
Optical properties of high-quality oxide coating materials used in gravitational-wave advanced detectors
Authors: Amato Alex , Terreni Silvana , Dolique Vincent , Forest Danièle , Gemme Gianluca , Granata Massimo , Mereni Lorenzo , Michel Christophe , Pinard Laurent , Sassolas Benoit , Teillon Julien , Cagnoli Gianpietro , Canepa Maurizio
Published: May 2019

High-reflection interference mirrors for current gravitational wave detectors (aLIGO, Advanced Virgo, KAGRA) are made of high-quality oxide multi-layers deposited by ion beam sputtering (IBS) at the Laboratoire des Matériaux Avancés (LMA). For this task, LMA uses a large IBS custom-made machine (the grand coater GC) able to deposit very uniform coatings over very large surfaces, with diameter of some tens of cm. We report for the first time about the optical characterization by spectroscopic ellipsometry of oxide coatings deposited by the GC under strictly the same conditions used for the production of interference mirrors. We have investigated oxide materials like silica (SiO2), tantala (Ta2O5) and titania-doped tantala (Ti:Ta2O5), providing for each material a broad-band (190–1700 nm) accurate determination of the complex index of refraction, with particular attention to wavelengths used in interferometers. Particular focus has been dedicated to the influence of Ti-doping on tantala coating. The doping induces a red-shift of the optical gap and an increase of the NIR refractive index. Furthermore, doping induces a decrease of the so-called Urbach energy, consistent with the well-known reduction of the internal friction in these kind of systems.
You Can’t Drive a Car With Only Three Wheels
Authors: Banack Hailey R
Published: May 2019

Authors aiming to estimate causal effects from observational data frequently discuss 3 fundamental identifiability assumptions for causal inference: exchangeability, consistency, and positivity. However, too often, studies fail to acknowledge the importance of measurement bias in causal inference. In the presence of measurement bias, the aforementioned identifiability conditions are not sufficient to estimate a causal effect. The most fundamental requirement for estimating a causal effect is knowing who is truly exposed and unexposed. In this issue of the Journal, Caniglia et al. (Am J Epidemiol. 2019;000(00):000–000) present a thorough discussion of methodological challenges when estimating causal effects in the context of research on distance to obstetrical care. Their article highlights empirical strategies for examining nonexchangeability due to unmeasured confounding and selection bias and potential violations of the consistency assumption. In addition to the important considerations outlined by Caniglia et al., authors interested in estimating causal effects from observational data should also consider implementing quantitative strategies to examine the impact of misclassification. The objective of this commentary is to emphasize that you can’t drive a car with only three wheels, and you also cannot estimate a causal effect in the presence of exposure misclassification bias.
Characterization of Aerosol Release during Spraying of Isocyanate Products
Authors: Ehnes Colin , Genz Manfred , Duwenhorst Jörn , Krasnow Jurij , Bleeke Jan , Schwarz Katharina , Koch Wolfgang , Schuchardt Sven
Published: May 2019

The aerosol release during the professional application of two different isocyanate based two component spray systems was identified and the physicochemical properties of the released airborne aerosols were characterized. For this purpose, aerosol release fractions were measured using a mass balance method described by Schwarz and Koch. Besides the release of total aerosol mass special emphasis was directed to the content of free monomeric MDI (4,4′- and 2,4′-diphenylmethane diisocyanate) in three particle size fractions relevant for inhalation uptake: inhalable, thoracic, and respirable size fraction. Two products were investigated: a two component PUR (polyurethane) spray foam (Elastopor) and a polyurea spray coating (Elastocoat). The mass fraction of the applied products released with the overspray as inhalable aerosol is 6.3 × 10−4 (Elastopor) and 4.0 × 10−4 (Elastocoat). Of the released total overspray aerosol 75 or 80% were in the thoracic size range, and 26 or 47% in the respirable regime for the PUR spray foam or the polyurea spray coating, respectively. At the time point of release the content of monomeric MDI in the aerosol corresponds to the composition of the bulk product. However, analysis of air samples indicates that <1% of the spray foam aerosol mass release fraction is attributed to free monomeric 4,4′- and 2,4′-MDI. For the Spray Coating the monomeric MDI fraction is <0.1%. Higher oligomers of MDI and prereacted oligomeric reaction products make up a few percent of the aerosol. This results in a total fraction of 0.0023% (spray foam) and 0.00015% (spray coating), respectively, of the sprayed monomeric MDI that is transferred into an inhalable aged aerosol. This data demonstrates, that during professional spraying only a small fraction of the total applied mass is released as airborne aerosol. The potential distribution of the theoretically inhalable aerosol in the respiratory tract and a low residual monomer content is described, significantly contributing to a refined safety assessment of the spray applications at the workplaces.
Genome-wide functional association networks: background, data & state-of-the-art resources
Authors: Guala Dimitri , Ogris Christoph , Müller Nikola , Sonnhammer Erik L L
Published: May 2019

The vast amount of experimental data from recent advances in the field of high-throughput biology begs for integration into more complex data structures such as genome-wide functional association networks. Such networks have been used for elucidation of the interplay of intra-cellular molecules to make advances ranging from the basic science understanding of evolutionary processes to the more translational field of precision medicine. The allure of the field has resulted in rapid growth of the number of available network resources, each with unique attributes exploitable to answer different biological questions. Unfortunately, the high volume of network resources makes it impossible for the intended user to select an appropriate tool for their particular research question. The aim of this paper is to provide an overview of the underlying data and representative network resources as well as to mention methods of integration, allowing a customized approach to resource selection. Additionally, this report will provide a primer for researchers venturing into the field of network integration.
Identifying progressive imaging genetic patterns via multi-task sparse canonical correlation analysis: a longitudinal study of the ADNI cohort
Authors: Du Lei , Liu Kefei , Zhu Lei , Yao Xiaohui , Risacher Shannon L , Guo Lei , Saykin Andrew J , Shen Li ,   Alzheimer’s Disease Neuroimaging Initiative
Published: May 2019

Motivation

Identifying the genetic basis of the brain structure, function and disorder by using the imaging quantitative traits (QTs) as endophenotypes is an important task in brain science. Brain QTs often change over time while the disorder progresses and thus understanding how the genetic factors play roles on the progressive brain QT changes is of great importance and meaning. Most existing imaging genetics methods only analyze the baseline neuroimaging data, and thus those longitudinal imaging data across multiple time points containing important disease progression information are omitted.

Results

We propose a novel temporal imaging genetic model which performs the multi-task sparse canonical correlation analysis (T-MTSCCA). Our model uses longitudinal neuroimaging data to uncover that how single nucleotide polymorphisms (SNPs) play roles on affecting brain QTs over the time. Incorporating the relationship of the longitudinal imaging data and that within SNPs, T-MTSCCA could identify a trajectory of progressive imaging genetic patterns over the time. We propose an efficient algorithm to solve the problem and show its convergence. We evaluate T-MTSCCA on 408 subjects from the Alzheimer’s Disease Neuroimaging Initiative database with longitudinal magnetic resonance imaging data and genetic data available. The experimental results show that T-MTSCCA performs either better than or equally to the state-of-the-art methods. In particular, T-MTSCCA could identify higher canonical correlation coefficients and capture clearer canonical weight patterns. This suggests that T-MTSCCA identifies time-consistent and time-dependent SNPs and imaging QTs, which further help understand the genetic basis of the brain QT changes over the time during the disease progression.

Availability and implementation

The software and simulation data are publicly available at https://github.com/dulei323/TMTSCCA.

Supplementary information

Supplementary data are available at Bioinformatics online.
A joint method for marker-free alignment of tilt series in electron tomography
Authors: Han Renmin , Bao Zhipeng , Zeng Xiangrui , Niu Tongxin , Zhang Fa , Xu Min , Gao Xin
Published: May 2019

Motivation

Electron tomography (ET) is a widely used technology for 3D macro-molecular structure reconstruction. To obtain a satisfiable tomogram reconstruction, several key processes are involved, one of which is the calibration of projection parameters of the tilt series. Although fiducial marker-based alignment for tilt series has been well studied, marker-free alignment remains a challenge, which requires identifying and tracking the identical objects (landmarks) through different projections. However, the tracking of these landmarks is usually affected by the pixel density (intensity) change caused by the geometry difference in different views. The tracked landmarks will be used to determine the projection parameters. Meanwhile, different projection parameters will also affect the localization of landmarks. Currently, there is no alignment method that takes interrelationship between the projection parameters and the landmarks.

Results

Here, we propose a novel, joint method for marker-free alignment of tilt series in ET, by utilizing the information underlying the interrelationship between the projection model and the landmarks. The proposed method is the first joint solution that combines the extrinsic (track-based) alignment and the intrinsic (intensity-based) alignment, in which the localization of landmarks and projection parameters keep refining each other until convergence. This iterative approach makes our solution robust to different initial parameters and extreme geometric changes, which ensures a better reconstruction for marker-free ET. Comprehensive experimental results on three real datasets show that our new method achieved a significant improvement in alignment accuracy and reconstruction quality, compared to the state-of-the-art methods.

Availability and implementation

The main program is available at https://github.com/icthrm/joint-marker-free-alignment.

Supplementary information

Supplementary data are available at Bioinformatics online.