bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical prediction of some layered Pa2O5 phases: structure and properties
Authors: Liu Tao , Li Shichang , Gao Tao , Ao Bingyun
Published: October 2019

Density functional theory (DFT) was used to predict and study protactinium pentoxide (Pa2O5), which presents a fluorite and layered protactinium oxide-type structure.
FeII-catalysed insertion reaction of α-diazocarbonyls into X–H bonds (X = Si, S, N, and O) in dimethyl carbonate as a suitable solvent alternative
Authors: Tanbouza Nour , Keipour Hoda , Ollevier Thierry
Published: October 2019

The insertion reaction of a broad range of diazo compounds into Si–H bonds was found to be efficiently catalysed by Fe(OTf)2 in an emerging green solvent i.e. dimethyl carbonate (DMC).
Iodine-catalyzed sulfonylation of sulfonyl hydrazides with tert-amines: a green and efficient protocol for the synthesis of sulfonamides
Authors: Chen Jinyang , Han Xiaoran , Mei Lan , Liu Jinchuan , Du Kui , Cao Tuanwu , Li Qiang
Published: October 2019

Sustainable and eco-friendly method for the synthesis of various sulfonamides.
Anion carriers as potential treatments for cystic fibrosis: transport in cystic fibrosis cells, and additivity to channel-targeting drugs
Authors: Li Hongyu , Valkenier Hennie , Thorne Abigail G. , Dias Christopher M. , Cooper James A. , Kieffer Marion , Busschaert Nathalie , Gale Philip A. , Sheppard David N. , Davis Anthony P.
Published: October 2019

Synthetic anion transporters are active in cystic fibrosis cells, and are additive to clinically-approved drugs, suggesting new combination therapies for this lethal genetic condition.
Mechano-chromic protein–polymer hybrid hydrogel to visualize mechanical strain
Authors: Taki Masumi , Yamashita Tadahiro , Yatabe Kazuki , Vogel Viola
Published: October 2019

A mechano-chromic hydrogel was synthesized here via chemoenzymatic click conjugation of fluorophore-labeled fibronectin into a synthetic hydrogel copolymers. The optical FRET response could be tuned by macroscopic stretching.
Fabrication of soft-nanocomposites from functional molecules with diversified applications
Authors: Choudhury Pritam , Dinda Soumik , Kumar Das Prasanta
Published: October 2019

Development of novel soft-nanocomposites by the amalgamation of supramolecular self-assemblies of various functional molecules with nanomaterials from different origins to explore their application in diversified fields.
Interaction between capped tetrahedral gold nanocrystals: dependence on effective softness
Authors: Liu Xuepeng , Ni Yong , He Linghui
Published: October 2019

The interaction between capped tetrahedral gold nanocrystals is anisotropic at small softness but becomes isotropic for sufficiently large softness.
Structure and dynamics of a two-dimensional colloid of liquid droplets
Authors: Klopp Christoph , Trittel Torsten , Eremin Alexey , Harth Kirsten , Stannarius Ralf , Park Cheol S. , Maclennan Joseph E. , Clark Noel A.
Published: October 2019

Droplets in thin freely suspended smectic films interact repulsively with each other and form a colloidal structure with 2D hydrodynamics.
A synergistic self-assembled 3D PEDOT:PSS/graphene composite sponge for stretchable microsupercapacitors
Authors: Yan Wenrong , Li Jinhui , Zhang Guoping , Wang Lei , Ho Derek
Published: October 2019

A novel stretchable MSC with laser-patterned 3D PEDOT:PSS/rGO electrodes synthesized by synergistic self-assembly exhibits excellent specific capacitance and stretchability.
Plasma assisted vapor solid deposition of Co3O4 tapered nanorods for energy applications
Authors: Gilzad Kohan Mojtaba , Mazzaro Raffaello , Morandi Vittorio , You Shujie , Concina Isabella , Vomiero Alberto
Published: October 2019

Self-standing, 1-dimensional (1D) structures of p-type metal oxide (MOx) have been the focus of considerable attention, due to their unique properties in energy storage and solar light conversion.
Large-scale evaluation of cascaded adsorption heat pumps based on metal/covalent–organic frameworks
Authors: Li Wei , Xia Xiaoxiao , Li Song
Published: October 2019

High-throughput computational screening of millions of cascaded adsorption heat pumps based on metal–organic frameworks and covalent–organic frameworks.
Direct monitoring of the recombination zone in highly efficient phosphorescent organic light-emitting diodes based on a high-doping concentration emitting system
Authors: Xue Jianan , Liang Jie , Liu Xinze , Zhang Hao , Ye Kaiqi , Liu Yu , Wang Yue
Published: October 2019

The high-content bipolar phosphor (ppy)2Ir(dipba) can dominate the EL process and the recombination zone is almost broadened as wide as the whole EML in D4, leading to remarkably higher efficiency level of D4 than that of D2 based on (ppy)2Ir(acac).
Thyroid endocrine status and biochemical stress responses in adult male Wistar rats chronically exposed to pristine polystyrene nanoplastics
Authors: Amereh Fatemeh , Eslami Akbar , Fazelipour Simin , Rafiee Mohammad , Zibaii Mohammad Ismail , Babaei Mohammad
Published: October 2019

Toxicity evaluations of micro- or nano-sized plastics in rodent species commonly employed for toxicity analyses based on which risk assessment for humans could be performed are still largely lacking. Given this knowledge gap, the present work was aimed at determining the potential impact of chronic exposure to polystyrene nanoplastics (PS NPs) on the thyroid endocrine status and biochemical stress in a rat model. Young adult male rats were orally administered with PS NPs (1, 3, 6 and 10 mg kg−1 day−1) for five weeks. Thyroid hormones (THs) l-thyroxine (T4), l-triiodothyronine (T3), l-free triiodothyronine (FT3), and l-free thyroxine (FT4) as well as thyroid stimulating hormone (TSH) serum levels of normal rats and those exposed to PS NPs were compared. Serum levels of high-density lipoprotein (HDL), low-density lipoprotein (LDL), cholesterol, and creatinine, as well as glutamic oxaloacetic transaminase (GOT) and glutamic pyruvic transaminase (GPT) enzymes were also measured. Exposure to PS NPs suppressed the serum levels of T3 and circulating levels of THs, whereas TSH increased significantly. Though exposure to PS NPs did not affect the molar ratios of T3/T4, it induced a slight, but significant, increase in FT3/FT4. In addition, exposure to plastic nanoparticles showed signs of nephrotoxicity induction and kidney injury in exposed organisms as can be inferred from the significantly higher serum levels of creatinine in exposed groups. Our results provide clear evidence of an association between exposure to plastic NPs and thyroid endocrine disruption as well as metabolic deficit, and generate new leads for future research efforts.
Origin of hydrogen fluoride emission in the Orion Bar
Authors: Kavak Ü. , van der Tak F. F. S. , Tielens A. G. G. M. , Shipman R. F.
Published: October 2019

Context. The hydrogen fluoride (HF) molecule is seen in absorption in the interstellar medium (ISM) along many lines of sight. Surprisingly, it is observed in emission toward the Orion Bar, which is an interface between the ionized region around the Orion Trapezium stars and the Orion molecular cloud.

Aims. We aim to understand the origin of HF emission in the Orion Bar by comparing its spatial distribution with other tracers. We examine three mechanisms to explain the HF emission: thermal excitation, radiative dust pumping, and chemical pumping.

Methods. We used a Herschel/HIFI strip map of the HF J = 1 → 0 line, covering 0.5′ by 1.5′ that is oriented perpendicular to the Orion Bar. We used the RADEX non-local thermodynamic equilibrium (non-LTE) code to construct the HF column density map. We use the Meudon PDR code to explain the morphology of HF.

Results. The bulk of the HF emission at 10 km s−1 emerges from the CO-dark molecular gas that separates the ionization front from the molecular gas that is deeper in the Orion Bar. The excitation of HF is caused mainly by collisions with H2 at a density of 105 cm−3 together with a small contribution of electrons in the interclump gas of the Orion Bar. Infrared pumping and chemical pumping are not important.

Conclusions. We conclude that the HF J = 1 → 0 line traces CO-dark molecular gas. Similarly, bright photodissociation regions associated with massive star formation may be responsible for the HF emission observed toward active galactic nuclei.
Cluster counts
Authors: Ilić Stéphane , Sakr Ziad , Blanchard Alain
Published: October 2019

The Lambda cold dark matter (ΛCDM) concordance model is very successful at describing our Universe with high accuracy and only a few parameters. Despite its successes, a few tensions persist; most notably, the best-fit ΛCDM model, as derived from the Planck cosmic microwave background (CMB) data, largely overpredicts the abundance of Sunyaev–Zel’dovich (SZ) clusters when using their standard mass calibration. Whether this is the sign of an incorrect calibration or the need for new physics remains a matter of debate. In this study, we examined two simple extensions of the standard model and their ability to release the aforementioned tension: massive neutrinos and a simple modified gravity model via a non-standard growth index γ. We used both the Planck CMB power spectra and SZ cluster counts as datasets, alone and in combination with local X-ray clusters. In the case of massive neutrinos, the cluster-mass calibration (1 − b) is constrained to 0.585+0.031−0.037 (68% limits), more than 5σ away from its standard value (1 − b)∼0.8. We found little correlation between neutrino masses and cluster calibration, corroborating previous conclusions derived from X-ray clusters; massive neutrinos do not alleviate the cluster-CMB tension. With our simple γ model, we found a large correlation between the calibration and the growth index γ, but contrary to local X-ray clusters, SZ clusters are able to break the degeneracy between the two parameters thanks to their extended redshift range. The calibration (1 − b) was then constrained to 0.602+0.053−0.065, leading to an interesting constraint on γ = 0.60 ± 0.13. When both massive neutrinos and modified gravity were allowed, preferred values remained centred on standard ΛCDM values, but a calibration (1 − b)∼0.8 was allowed (though only at the 2σ level) provided ∑mν ∼ 0.34 eV and γ ∼ 0.8. We conclude that massive neutrinos do not relieve the cluster-CMB tension, and that a calibration close to the standard value (1 − b)∼0.8 would call for new physics in the gravitational sector.
Arthrose beim Hund multimodal managen
Authors: Keller Alexandra
Published: October 2019

Arthrose ist eine der häufigsten Erkrankungen des Bewegungsapparats beim Hund. Rund 20 % aller Hunde erkranken im Laufe ihres Lebens daran [1]. Schmerzen und Einschränkungen in der Beweglichkeit sind die Folge. Neue Erkenntnisse in der Pathophysiologie und Diagnostik ermöglichen eine individuell gelenks- und patientenspezifisch angepasste Therapie mittels multimodalem Management. Neben medikamentellen Methoden sind hier physikalische und manuelle Methoden zu nennen. Der Physiotherapie kommt dabei eine zentrale Rolle zu.
Netzwerk Faszien – use it or lose it?
Authors: Börner Doris , Klingler Werner
Published: October 2019

Faszien sind heutzutage in aller Munde, aber welche Funktion haben sie eigentlich und welche Rolle spielen sie bei der Entstehung des Schmerzes?
Top-Ten Tips for Effective Imaging of Axial Spondyloarthritis
Authors: Reijnierse Monique , Eshed Iris , Gaalen Floris van
Published: October 2019

Axial spondyloarthritis (axSpA) is a chronic inflammatory condition that encompasses ankylosing spondylitis as well as nonradiographic axSpA and can lead to chronic pain, structural damage, and disability. The disease is strongly associated with the presence of human leukocyte antigen-B27. Early diagnosis of axSpA is significant due to new treatment regimens leading to reduction of inflammation and potentially delaying disease progression. Imaging of the sacroiliac joints and the spine plays an important role in the early diagnosis of spondyloarthritis. In the current review, the top-ten tips for the effective imaging of axSpA are presented to help both radiologists and rheumatologists in using imaging properly and effectively in their clinical practice.
Physiologic and Pathologic Development of the Infantile and Adolescent Hip Joint: Descriptive and Functional Aspects
Authors: Heimkes Bernhard , Wegener Veronika , Birkenmaier Christof , Ziegler Christian M.
Published: October 2019

The basic law of mechanobiology states that the external form and internal architecture of the skeleton and joints follow the functional stimuli that act upon them. Radiographs and magnetic resonance imaging reflect the loading history of the growing child, enabling an experienced radiologist to analyze the clinical functioning of patients by interpreting imaging studies. Concerning the hip joint, the physes of the coxal femoral end, the coxal femoral epiphysis with its epiphyseal growth plate, as well as the apophysis of the greater trochanter with its trochanteric growth plate, are the essential organ structures subject to internal forces. They determine the definitive geometric shape of the proximal femur. Indirectly they influence the appearance of the acetabulum and the centration of the hip joint.
Vertebrae, Vertebral End Plates, and Disks: Concepts and Specific Pathologies
Authors: Gersing Alexandra S. , Woertler Klaus , Jungmann Pia M. , Bollwein Christine , Schwaiger Benedikt J.
Published: October 2019

Vertebral end plates cover the osseous vertebral body. The integrity of the cartilaginous end plates is of great importance for the entire vertebral segment because the vascularized end plate provides the nutrition for the avascular disk. Yet several pathologies may occur at these end plates at the embryonic stage, in childhood to adolescence (e.g., ossification and segmentation disorders of the spine, persistent notochord, slippage of the growth plate), as well as in the mature spine of an adult (degenerative disk disease), that may impact the integrity of the cartilaginous end plate and therefore lead to severe diseases of the spine. This article reviews specific congenital, developmental, and degenerative disorders of the vertebral end plate as well as both established and newly introduced imaging techniques, such as ultrashort echo time imaging based on magnetic resonance imaging, that are suitable for imaging of the end plate.
Plicae: Where Do They Come from and When Are They Relevant?
Authors: Wong Jenn Shiunn , Lalam Radhesh
Published: October 2019

Synovial plicae are vestigial folds of synovium in a joint, most widely recognized in the knee and also in the elbow and hip joints. The most commonly shared theory on the origin of plicae is that they are the remnants of the membranes that divide the synovial cavitations during normal joint development. Synovial folds do not generally cause any symptoms. However, they can become inflamed, thickened, fibrosed, and also impinged in the joint, leading to mechanical symptoms and chondral damage. This article presents an overview of the embryological origin of plicae, their anatomy, pathologies, and appearances on imaging. We also discuss the lesser known plicae in various other areas.
Immobilization of Urease on DEAE-Cellulose Strips for One Step Urea Detection
Authors: Kayastha Arvind M.
Published: October 2019

Urease isolated from pigeonpeas was immobilized on 1 cm × 6 cm diethylaminoethyl (DEAE)-cellulose strips. The optimum immobilization (55% activity) was observed at 4°C, with a protein concentration of 1 mg per strip at pH 6.5. Immobilized strips stored at 4°C showed an increased shelf-life and there was no leaching of enzyme from the immobilized strips for 6 months. Enzyme could be eluted on application of 0.2 M KCl in buffer, which showed that the binding of the enzyme was tight on DEAE-cellulose strips. These strips when used along with dye, phenol red (coimmobilized) gave different shades from light yellow to dark magenta depending upon the concentration of urea. The ease of immobilization of urease on DEAE-cellulose strips and easy availability of pigeonpeas urease described in the present study makes it a suitable product for potential applications in urea diagnostics.
Multiparametric Magnetic Resonance Imaging of the Prostate: An Update
Authors: Kapur Savinay , Das Chandan J. , Sharma Sanjay
Published: October 2019

Multiparametric magnetic resonance imaging (mp-MRI) has emerged as an important tool for the detection and characterization of prostatic lesions. It now plays a quintessential role in the surveillance, diagnosis, and staging of prostate cancer (PCa), as well as for the detection of local recurrence. As reliance on serum prostate-specific antigen has declined in the recent times, mp-MRI has emerged as the go-to tool for urologists all over the world. Hence, for the clinician, it has become necessary to be well versed with the technique, image interpretation, and fallacies of mp-MRI. Since mp-MRI has the advantage of better contrast resolution, combining PSMA PET (prostate-specific membrane antigen-positron emission tomography) with MRI could provide additional functional information. However, due to the absence of enough evidence supporting its routine use, mp-MRI still has the unsurpassed role in the initial diagnosis and local staging of PCa.
Top-Ten Tips for Ultrasound-Guided Joint Injection
Authors: Lee Ryan Ka Lok , Griffith James F.
Published: October 2019

Ultrasound-guided joint injection is more accurate than palpation-guided injection and performed more frequently. Joint injection is helpful for therapeutic and diagnostic purposes as well as for injecting contrast agents for magnetic resonance imaging or computed tomography arthrography. Ultrasound-guided joint injection helps ensure intra-articular injection and minimizes injury to para-articular soft tissues.
Osteonecrosis of the Upper Extremity: MRI-Based Zonal Patterns and Differential Diagnosis
Authors: Schmitt Rainer , Kalb K.H. , Christopoulos G. , Grunz J.P.
Published: October 2019

Regarding the upper extremity, osteonecrosis can relate to the humeral head and to any carpal bone, most commonly the lunate (Kienböck's disease), scaphoid (Preiser's disease and nonunion), and capitate bone (osteonecrosis of the capitate head). In children and adolescents, osteochondrosis is an important differential diagnosis at the epiphyses. Appropriate imaging of osteonecrosis depends on knowledge about blood supply, biomechanical load, and bone repair mechanisms. Contrast-enhanced MRI (ceMRI) enables the differentiation of up to three mostly band-shaped zones: necrotic tissue (proximal), hypervascular repair tissue (intermediate), and viable bone (distal). To distinguish between necrotic and repair zones, intravenous gadolinium is recommended in MRI. Osteosclerosis and insufficiency fractures in early and intermediate stages as well as osteoarthritis in advanced stages are best depicted using high-resolution CT (HRCT). The combination of HRCT and ceMRI allows for exact classification of osteonecrosis regarding morphology and viability.
Normal Variations and Pathologic Disorders of Chondrification and Ossification of the Foot and Related Diseases
Authors: Steinborn Marc , Glaser Christian
Published: October 2019

Formation of the skeletal elements of the foot involves different stages of development. Failure in segmentation of the cartilaginous plate is supposed to be the underlying mechanism leading to tarsal coalition. Variants or disorders in ossification might result in harmless osseous anomalies or symptomatic disease. When the ossification is almost completed, several secondary ossification centers start to ossify. They are usually incidental findings. In symptomatic patients they have to be differentiated from fractures or can be the source of complaints by themselves.
Clinical Practice of Palliative Care: Current Concepts and Future Perspectives
Authors: Saxena Ashok Kumar , Saxena Anupriya , Chopra Anand Kumar , Talwar Hazel , Bajaj Megha , Yadav Nitika
Published: October 2019

Pain is a distressing symptom having biological, psychological, and social consequences. A large number of cancer patients are in advanced stages of the disease and for these patients the only positive and realistic option is pain management and palliative care. These patients have complex needs that have to be taken care of in order to improve the quality of life of such patients and their family members. Surgical treatment along with chemotherapy and radiotherapy is the mainstay for the treatment of cancer, but these modalities also have limitations. The main aim behind palliative care is to allay the sufferings of a terminally ill patient by responding to pain using multimodal analgesia including opioids. According to WHO step ladder, other symptoms like breathlessness, fatigue, delirium etc., are also needed to be managed adequately along with psychosocial and spiritual support. Along with it patients and his family members should be well explained that palliative care is a multidimensional approach directed to the best possible care for that stage of their illness, which may not be curative in nature. There are multiple obstacles in the growth of palliative care in India. Nonetheless we have overcome many such hurdles and there has been a noticeable change regarding palliative care in the mindset of health care providers in the last 2 decades.
Health System Implementation of a Tobacco Quitline eReferral
Authors: Hood-Medland Eve Angeline , Stewart Susan L. , Nguyen Hien , Avdalovic Mark , MacDonald Scott , Zhu Shu-Hong , Mayoral Antonio , Tong Elisa K.
Published: October 2019

Background Proactive referrals through electronic orders (eReferrals) can increase patient connection with tobacco quitlines. More information is needed on “real-world” implementation of electronic health record tools to promote tobacco cessation while minimizing provider burden.

Objectives This paper examines the health system implementation of an eReferral to a tobacco quitline without best practice alerts in primary care, specialty, and hospital settings in an academic health system.

Methods This is a prospective implementation study of a health system tobacco eReferral to a state quitline that was completed with an approach to minimize provider cognitive burden. Data are drawn from electronic health record data at University of California, Davis Health Systems (March 2013–February 2016).

Results Over 3 years, 16,083 encounters with smokers resulted in 1,137 eReferral orders (7.1%). Treatment reach was 1.6% for quitline services and 2.3% for outpatient group classes. While the group classes were offered to outpatient smokers, the eReferral order was included in an outpatient order set and eventually an automated inpatient discharge order set; no provider alerts were implemented. Referrals were sustained and doubled after inpatient order set implementation. Among all first time eReferral patients, 12.2% had a 6 to 12 month follow-up visit at which they were documented as nonsmoking.

Conclusion This study demonstrates a quitline eReferral order can be successfully implemented and sustained with minimal promotion, without provider alerts and in conjunction with group classes. Reach and effectiveness were similar to previously described literature.
Two-state lasing at room temperature in InAs/InP quantum dots
Authors: Xiong Yiling , Zhang Xiupu
Published: October 2019

The two-state lasing conditions at room temperature in InAs/InP quantum dot (QD) lasers under a continuous wave electrical bias current are studied. It is found that excited state (ES) lasing is promoted by moderately decreasing spacer thickness and increasing dot-size dispersion in a QD stack, and the physical origins are due to the increased bottleneck effect and inhomogeneous broadening. Moreover, it is proved theoretically that ground state (GS) lasing with high inhomogeneous broadening may result in high phase and intensity noise at a high bias current. Therefore, an appropriate spacer thickness together with appropriate inhomogeneous broadening is critical to the GS and/or ES lasing, which helps an optimal design of laser geometry.
A compact time-gated instrument for QDs with low excitation energy and millisecond fluorescence lifetime as signal reporters, and its detection application
Authors: Gallian Brandon , Dong Guoquan , Zhu Xiaoshan
Published: October 2019

Recently, bright quantum dots (QDs) possessing low energy for excitation and long fluorescence lifetime in milliseconds have been reported. These QDs such as Mn doped I(II)-III-VI nanocrystals are promising for highly sensitive time-gated sensing applications with a portable or small benchtop “personal” instrument because their unique optical properties not only ensure a high signal-to-background ratio in time-gated fluorescence-intensity (TGFI) measurement but also significantly simplify the TGFI measurement instrument design criteria. In this work, following up the research progress on these QDs, we developed a compact TGFI measurement instrument with high sensitivity and cost-effectiveness for these QDs (more specifically Mn:AZIS/ZnS QDs) as signal reporters. We applied the instrument for sensitive detection of copper(ii) ions in highly autofluorescent rum (alcoholic beverage) in a fluorescence quenching assay utilizing these QDs for signal transduction. The results from this work suggest that this instrument together with bright QDs with low-energy for excitation and long fluorescence lifetimes should have potential to not only convert many regular (non-time-gated) QD-based fluorescence assays to time-gated assays for higher sensitivities or lower LODs, but also facilitate the development of highly sensitive assays for in-field or point-of-care testing.
Michelson interferometer modulator based on hybrid silicon and lithium niobate platform
Authors: Xu Mengyue , Chen Wenjun , He Mingbo , Wen Xueqin , Ruan Ziliang , Xu Jian , Chen Lifeng , Liu Liu , Yu Siyuan , Cai Xinlun
Published: October 2019

We propose and demonstrate a hybrid silicon and lithium niobate Michelson interferometer modulator (MIM) with a reduced half-wave voltage-length product compared to a Mach-Zehnder modulator. The modulator is based on seamless integration of a high-contrast waveguide based on lithium niobate—a widely used modulator material—with compact, low-loss silicon circuitry. The present device demonstrates a half-wave voltage-length product as low as 1.2 V cm and a low insertion loss of 3.3 dB. The 3 dB electro-optic bandwidth is approximately 17.5 GHz. The high-speed modulations are demonstrated at 32 Gbit/s and 40 Gbit/s with the extinction ratio of 8 dB and 6.6 dB, respectively. The present device avoids absorption loss and nonlinearity in conventional silicon modulators and demonstrates the lowest half-wave voltage-length product in lithium niobate modulators. The hybrid MIM demonstrates high-speed data modulation showing potential in future optical interconnects.
Studying vapor-liquid transition using a generalized ensemble
Authors: Ballal Deepti , Lu Qing , Raju Muralikrishna , Song Xueyu
Published: October 2019

Homogeneous vapor-liquid nucleation is studied using the generalized Replica Exchange Method (gREM). The generalized ensemble allows the study of unstable states that cannot directly be studied in the canonical ensemble. Along with replica exchange, this allows for efficient sampling of the multiple states in a single simulation. Statistical Temperature Weighted Histogram Analysis Method is used for postprocessing to get a continuous free energy curve from bulk vapor to bulk liquid. gREM allows the study of planar, cylindrical, and spherical interfaces in a single simulation. The excess Gibbs free energy for the formation of a spherical liquid droplet in vapor for a Lennard-Jones system is calculated from the free energy curve and compared against the umbrella sampling results. The nucleation free energy barrier obtained from gREM is then used to calculate the nucleation rate without relying on any classification scheme for separating the vapor and liquid.
The role of the free surface on interfacial solitary waves
Authors: la Forgia G. , Sciortino G.
Published: October 2019

We investigated theoretically and experimentally internal solitary waves (ISWs) in a two-layer fluid system with a top free surface. Laboratory experiments are performed by lock-release, under Boussinesq and non-Boussinesq conditions. Experimental results are compared with those obtained by the analytical solution of the Korteweg–de Vries (KdV) weakly nonlinear equation and by the strongly nonlinear Miyata-Choi-Camassa (MCC) model. We analyze the initial conditions which allow to find soliton solutions for both rigid-lid (-RL) and free-surface (-FS) boundary conditions. For the MCC-FS model, we employ a new mathematical procedure to derive the ISW-induced free surface displacement. The density structure strongly affects the elevation of the free surface predicted by the MCC-FS model. The free surface maximum displacement increases mostly with the density difference, assuming non-negligible values also for smaller interfacial amplitudes. Larger displacements occur for thinner upper layer thickness. The MCC-FS model gives the best prediction in terms of both internal waves geometric/kinematic features and surface displacements. The existence of a free surface allows the ISW to transfer part of its energy to the free surface: the wave celerity assumes lower values with respect to ISW speed resulting from the MCC-RL model. For ISWs with a very large amplitude, this behavior tends to fade, and the MCC-RL and the MCC-FS model predict approximately the same celerity and interfacial geometric features. For small-amplitude waves also, the predictions of the KdV-RL equation are consistent with experimental results. Thus, ISWs with an intermediate amplitude should be modeled taking into account a free top surface as the boundary condition.
Ultra-fast analog ensemble using kd-tree
Authors: Yang Dazhi
Published: October 2019

Analog ensemble (AnEn) is a popular probabilistic weather forecasting method based on similarity search. In that, forecasters are tasked to search for the top-m nearest neighbors (e.g., in terms of Euclidean distance) to a length-k query, from a set of historical data points in k-dimensional space. This is a straightforward yet time-consuming procedure, and few methods seem to be significantly better than a brute-force computation of all distances. To that end, I recommend using a kd-tree to perform AnEn, which appears to be one of (if not) the fastest approaches.
Interactions between soybean, Bradyrhizobium japonicum and Soybean mosaic virus: the effects depend on the interaction sequence
Authors: Andreola Sofía , Rodriguez Marianela , Parola Rodrigo , Alemano Sergio , Lascano Ramiro
Published: October 2019

The symbiotic interaction between soybean and nitrogen-fixing rhizobia can lead to plant growth promotion and induced systemic responses. Symbiotic interactions may increase tolerance/resistance to abiotic/biotic stress conditions, but are also sensitive to environmental conditions. Soybean mosaic virus (SMV), which is transmitted by seed and aphids, severely affects crop yields in many areas of the world, consequently virus infection may precede rhizobium infection or vice versa in the field. With the hypothesis that sequence of interaction is a key determinant of the resulting responses; growth, primary metabolism and defence responses were evaluated in different interaction sequences. Results showed that vegetative growth was promoted by Bradyrhizobium japonicum (Bj) inoculation and drastically impaired by SMV infection. The negative effect of SMV single infection on soybean growth parameters was correlated with photosynthesis decrease, sugar accumulation, oxidative damage, and increases in salicylic acid levels. Bj inoculation partially reversed virus-induced symptoms, mainly at Bj-SMV sequence. However, this symptom attenuation did not correlate with less virus accumulation. Nodulation was negatively affected by SMV, particularly when virus infection was previous to Bj inoculation (SMV-Bj). Defence related hormones (salicylic acid (SA)/jasmonic acid (JA)) and the expression of defence-related genes were dependent on the sequence of tripartite interaction. The present study showed that the sequence of the tripartite interaction among soybean, Bj and SMV determinates the tolerance/susceptibility to SMV infection, through changes in the defence mechanism and metabolic alteration.
The role of seedbanks in invasions by Hyparrhenia hirta (L.) Stapf in Australia
Authors: Chejara Vinod K. , Kristiansen Paul , Whalley R. D. B. (Wal) , Sindel Brian M. , Nadolny Christopher
Published: October 2019

Hyparrhenia hirta (L.) Stapf (also known as Coolatai grass, South African bluestem or thatching grass) has become a serious invasive weed in Australia. Within its native range, it is generally regarded as a useful grass particularly for thatching, and seed production is low with a low soil seed bank of from 2 to 200seedsm–2. Several hundred accessions of H. hirta were deliberately introduced into Australia up until the 1980s and nearly all were discarded because of poor seed production. However, at least one introduction in the 1890s in northern New South Wales (NSW), Australia, has possibly contributed to the present serious weed problem. Annual seed production from roadside stands in northern NSW ranged from 7000 to 92000seedsm–2 in 2015. The soil seed bank under dense H. hirta infestations in the same region in 2006 and 2007, was found to be ~30000seedsm–2 mostly confined to the top 2cm, with few dormant seeds and a large reduction of these numbers over the next 12 months when further seed input was prevented. Similar studies of other perennial grass weeds have found seed banks of similar sizes, but dormancy mechanisms ensure that their seed banks last for at least 10 years without further seed input. These results suggest that the present weedy populations of H. hirta have dramatically increased fecundity enabling a large seed bank to develop beneath dense stands. The development of seed dormancy and consequently a long-lived seed bank would make this weed even more difficult to control. Until seed dormancy develops, control of H. hirta in northern NSW can be effective provided further input into the seed bank can be prevented.
Applications of simulation-based burn probability modelling: a review
Authors: Parisien Marc-André , Dawe Denyse A. , Miller Carol , Stockdale Christopher A. , Armitage O. Bradley
Published: October 2019

Wildland fire scientists and land managers working in fire-prone areas require spatial estimates of wildfire potential. To fulfill this need, a simulation-modelling approach was developed whereby multiple individual wildfires are modelled in an iterative fashion across a landscape to obtain location-based measures of fire likelihood and fire behaviour (e.g. fire intensity, biomass consumption). This method, termed burn probability (BP) modelling, takes advantage of fire spread algorithms created for operational uses and the proliferation of available data representing wildfire patterns, fuels and weather. This review describes this approach and provides an overview of its applications in wildland fire research, risk analysis and land management. We broadly classify the application of BP models as (1) direct examination, (2) neighbourhood processes, (3) fire hazard and risk and (4) integration with secondary models. Direct examination analyses are those that require no further processing of model outputs; they range from a simple visual examination of outputs to an assessment of alternate states (i.e. scenarios). Neighbourhood process analyses examine patterns of fire ignitions and subsequent spread across land designations. Fire hazard combines fire probability and a quantitative assessment of fire behaviour, whereas risk is the product of fire likelihood and potential impacts of wildfire. The integration with secondary models represents situations where BP model outputs are integrated into, or used in conjunction with, other models or modelling platforms.
Mapping low-affinity/high-specificity peptide–protein interactions using ligand-footprinting mass spectrometry
Authors: Parker Benjamin W. , Goncz Edward J. , Krist David T. , Statsyuk Alexander V. , Nesvizhskii Alexey I. , Weiss Eric L.
Published: October 2019

Short linear peptide motifs that are intracellular ligands of folded proteins are a modular, incompletely understood molecular interaction language in signaling systems. Such motifs, which frequently occur in intrinsically disordered protein regions, often bind partner proteins with modest affinity and are difficult to study with conventional structural biology methods. We developed LiF-MS (ligand-footprinting mass spectrometry), a method to map peptide binding sites on folded protein domains that allows consideration of their dynamic disorder, and used it to analyze a set of D-motif peptide–mitogen-activated protein kinase (MAPK) associations to validate the approach and define unknown binding structures. LiF-MS peptide ligands carry a short-lived, indiscriminately reactive cleavable crosslinker that marks contacts close to ligand binding sites with high specificity. Each marked amino acid provides an independent constraint for a set of directed peptide–protein docking simulations, which are analyzed by agglomerative hierarchical clustering. We found that LiF-MS provides accurate ab initio identification of ligand binding surfaces and a view of potential binding ensembles of a set of D-motif peptide–MAPK associations. Our analysis provides an MKK4–JNK1 structural model, which has thus far been crystallographically unattainable, a potential alternate binding mode for part of the NFAT4–JNK interaction, and evidence of bidirectional association of MKK4 peptide with ERK2. Overall, we find that LiF-MS is an effective noncrystallographic way to understand how short linear motifs associate with specific sites on folded protein domains at the level of individual amino acids.
Allele-specific nonstationarity in evolution of influenza A virus surface proteins
Authors: Popova Anfisa V. , Safina Ksenia R. , Ptushenko Vasily V. , Stolyarova Anastasia V. , Favorov Alexander V. , Neverov Alexey D. , Bazykin Georgii A.
Published: October 2019

Significance

Control of rapidly evolving pathogens requires prediction of evolution. One obstacle to such predictions is the ever-changing environment, which determines strain fitness. Here, we show that fitness conferred by an amino acid variant at surface proteins of influenza A virus changes systematically with time since this variant appeared. The direction of this change depends on its functional role. At antigenic regions, variants become less fit with time. Conversely, variants at internal regions become more fit with time. This dynamic can be explained by a simple model: while the fitness of amino acids deeply embedded in the protein increases due to substitutions elsewhere, that of amino acids exposed to the immune system drops as herd immunity adapts to them.
Nusselt number and friction factor behaviour of circular wavy transverse ribs artificially roughened solar air heater
Authors: Chandel Sheshang S , Verma Ajay , Paulraj Maheandera Prabu , Sahu Santosh Kumar
Published: October 2019

The present study deals about the fluid flow and heat transfer behaviours of circular wavy wall transverse rib artificially roughened SAH. The circular wavy ribs are used in the solar air (SAH) heater with different undulation (N) and constant amplitude (A) below absorbing plate at testing zone for the present numerical investigation. Heat transfer behaviour varies about number of undulation with the intention that the optimum undulation of circular wavy wall transverse rib is necessary for better performance of SAH. The FLUENT v 14.5 is used to solve the governing equations (mass, momentum and energy). The RNG (k- ε) model is utilized to capture the turbulent effects and also the SIMPLE algorithm is used to couple the pressure and velocity. The geometrical parameter, pitch (p/e) ranges from 7.14 to 14.28 and relative roughened height (e/D) ranges from 0.021 to 0.042 are taken. The Reynolds numbers (Re) is varied between 3800 and 18000 for the constant heat (q) flux of plate 1000 W/m2. The results, Nusselt number (Nur/Nus) enhancement, and friction (fr/fs) factor performance are presented.
Performance evaluation of compound parabolic concentrator with evacuated tube heat pipe
Authors: Vijayakumar P. , Kumaresan G. , Anish kumar S. , Mohamed Faizal U. , Vijay Chandran G.R. , Vishnu Adharsh K.S.
Published: October 2019

The keen interest of harvesting solar energy is increasing because of its clean, green and cheap nature. The pv modules collect the energy from the sun and produce electricity. The solar thermal collectors collect the solar energy in the form of heat. Compound parabolic concentrator is a type of solar thermal collector, which has a combined parabolic structure concentrating the solar radiation on a single line focus where the receiver tube is placed. The performance can be further increased by placing the evacuated tube, which traps the heat. The heat is efficiently conducted by using the heat pipe. A heat pipe is a heat-transfer device that transfer the heat between two solid interfaces. It combines the principles of both thermal conductivity and phase transition. The experimental study is carried out to find out the performance characteristics. The results according to the various parameters such as mass flow rate, tilting angles were plotted to find the better performance. The result shows that the maximum efficiency of the CPC is achieved between 12.00hrs. and 15.00hrs. The intensity of radiation during maximum efficiency is 1000 W/m2to 1050 W/m2.
Performance analysis of solar assisted vapour Jet refrigeration system with regenerator (CRMC method)
Authors: Sathiya Prakash P , Kalaisselvane A
Published: October 2019

There are various forms of low-grade thermal energies that could all be useful in powering an ejector refrigeration system. Effective utilization of low-grade thermal energy is feasible from many available sources from industrial areas, solar and the automobile exhausts etc, . The normal Vapour Jet Refrigeration system is compared with the efficient Vapour Jet Refrigeration system fitted with a solar assisted regenerative heat exchanger unit. The ejectoris designed using Constant Rate Momentum change (CRMC) methodology to enhance the Coefficient of Performance by the usage of the refrigerant R134a as the working medium. The ejector cycle has been recognized as the promising technology for utilization of solar energy for cooling. The heat absorbed by the solar flat plate collector is partially used to heat refrigerant in the ejector cycle. Study on the effect of refrigerant temperature due to heat provided by boiler and solar flat plate in the Vapour Jet Refrigeration system on Coefficient of Performance, pumping power, entrainment ratio, diffuser outlet temperature & heat rejected at condenser is carried out. Simulation of ejector designed through Constant Rate Momentum change (CRMC) methodology is done using FLUENT software.
Optimal Energy Scheduling of Renewable Energy Sources in Smart Grid using Cuckoo Optimization Algorithm with Enhanced Local Search
Authors: Antonyraj S , Giftson Samuel G
Published: October 2019

The emerging trend of micro grid enabled technologies with renewable energy sources are used to satisfy the high demand of energy requirement and are preferred over conventional energy sources. However, it has disadvantages like uncertainty in energy on hand with renewable energy sources and unpredictable demand. Optimal scheduling of power generation among the available renewable energy sources is necessary to achieve minimum cost of energy generation with consideration of power loss. In this work, we have used Cuckoo search optimization algorithm with enhanced local search using Tabu search for optimal energy scheduling. This approach is compared with other evolutionary algorithm and existing approaches and results show that our proposed approach performs well.
Production of biodiesel from Aegle marmelos correa seed oil for fuel cell application
Authors: Thangarasu Vinoth , Ramanathan Anand
Published: October 2019

Energy acting an important role in the development of any country. In an emerging country like India, energy plays an important role to fulfil the energy demand by the industry as well as society. Each year there is an increase in demand for energy. Currently, most of the demand for energy is filled with a petrol-based product that creates the problem of sustainable supply of energy and increasing problems like, pollution, global warming, etc. The huge quantities of energy require a huge amount of fuel, spending this huge amount of fuel across the world have adverse effects on the environment which cannot be altered after damage being done. Energy production from fossil fuel is the main reason for environmental degradation which effects on human health, disturbs the ecological equilibrium and biotic diversity. There is a requirement of the alternate and renewable source to tackle the energy demand as well as keeping a safe environment. Bioenergy productions from biofuels have emerged as one of the most popular sources. The biofuels are a promising, renewable and eco-friendly source of energy that can replace fossil. To avoid the effects of growing energy demand on the environment, human life in near future and satisfy present energy demand, these biofuels have the potential to provide energy services with almost zero emissions of air pollutants and greenhouse gases. This paper aims at emphasizing the production of biodiesel from Aegle marmelos Correa seed oil. Maximum biodiesel yield of 95% was obtained using a potassium hydroxide catalyst. Physical and chemical properties of biodiesel were determined as per American Society for Testing Method D6751 standards. It can be concluded that biodiesel produced from Aegle marmelos Correa seed oil can be another energy source to substitute the petroleum diesel fuel. Further, AMC biodiesel can be a promising source to produce hydrogen for fuel cell application.
Experimental Investigation of Drying Potato for Karaikal Climatic Condition
Authors: Natarajan Sendhil Kumar , Elavarasan E
Published: October 2019

Vegetables play an important and irreplaceable role in the human beings daily life and other living animals on the planet. Henceforth, wastage of vegetables should be kept away by developing techniques for conservation and preservation of vegetables to an extended period. In this article, a double slope solar dryer was designed and fabricated at the terrace of the science block, NIT Puducherry, Karaikal. The decrease in the wetness content of specimens in the double slope solar dryer was empirically inspected for Karaikal climatic conditions. The effect of double slope natural convective based solar dryer in drying of potato compared with open sun drying operation adjacent each other in similar condition. Experiments were carried out to determine the dryer surface temperatures, air temperature, and the percentages of the wet basis wetness content from 11.00 am to 6.00 pm for two days. In the investigation, it was clear that designed and fabricated double slope natural convective solar powered dryer removed the high wetness content about 52.29% and in open drying technique it removed wetness content of 42.99% from the potato slices on first day. On second day similar weighted samples were investigated wetness removed by solar dryer is 51% and 43.92% in open drying. So developed solar dryer removed high amount wetness content and quality of dried potato slices was high when compared to open sun dehydrating. Accordingly, the developed double slope natural convective based solar dryer can be effectively utilized to dry the vegetable samples.