bluuebunny/crossref_metadata_2025_split huggingface dataset:
Internal water channel formation in CXCR4 is crucial for Gi-protein coupling upon activation by CXCL12
Authors: Chang Chun-Chun , Liou Je-Wen , Dass Kingsley Theras Primus , Li Ya-Tzu , Jiang Shinn-Jong , Pan Sheng-Feng , Yeh Yu-Chen , Hsu Hao-Jen 
Published: October 2020

AbstractChemokine receptor CXCR4 is a major drug target for numerous diseases because of its involvement in the regulation of cell migration and the developmental process. In this study, atomic-level molecular dynamics simulations were used to determine the activation mechanism and internal water formation of CXCR4 in complex with chemokine CXCL12 and Gi-protein. The results indicated that CXCL12-bound CXCR4 underwent transmembrane 6 (TM6) outward movement and a decrease in tyrosine toggle switch by eliciting the breakage of hydrophobic layer to form a continuous internal water channel. In the GDP-bound Gαi-protein state, the rotation and translation of the α5-helix of Gαi-protein toward the cytoplasmic pocket of CXCR4 induced an increase in interdomain distance for GDP leaving. Finally, an internal water channel formation model was proposed based on our simulations for CXCL12-bound CXCR4 in complex with Gαi-protein upon activation for downstream signaling. This model could be useful in anticancer drug development.
Electron heat flux in the near-Sun environment
Authors: Halekas J. S. , Whittlesey P. L. , Larson D. E. , McGinnis D. , Bale S. D. , Berthomier M. , Case A. W. , Chandran B. D. G. , Kasper J. C. , Klein K. G. , Korreck K. E. , Livi R. , MacDowall R. J. , Maksimovic M. , Malaspina D. M. , Matteini L. , Pulupa M. P. , Stevens M. L. 
Published: October 2020

Aims. We survey the electron heat flux observed by the Parker Solar Probe (PSP) in the near-Sun environment at heliocentric distances of 0.125–0.25 AU.
Methods. We utilized measurements from the Solar Wind Electrons Alphas and Protons and FIELDS experiments to compute the solar wind electron heat flux and its components and to place these in context.
Results. The PSP observations reveal a number of trends in the electron heat flux signatures near the Sun. The magnitude of the heat flux is anticorrelated with solar wind speed, likely as a result of the lower saturation heat flux in the higher-speed wind. When divided by the saturation heat flux, the resulting normalized net heat flux is anticorrelated with plasma beta on all PSP orbits, which is consistent with the operation of collisionless heat flux regulation mechanisms. The net heat flux also decreases in very high beta regions in the vicinity of the heliospheric current sheet, but in most cases of this type the omnidirectional suprathermal electron flux remains at a comparable level or even increases, seemingly inconsistent with disconnection from the Sun. The measured heat flux values appear inconsistent with regulation primarily by collisional mechanisms near the Sun. Instead, the observed heat flux dependence on plasma beta and the distribution of suprathermal electron parameters are both consistent with theoretical instability thresholds associated with oblique whistler and magnetosonic modes.
Ni(0)-Catalyzed Synthesis of Polycyclic α,β-Unsaturated γ-Lactams via Intramolecular Carbonylative Cycloaddition of Yne-imines with CO
Authors: Ogoshi Sensuke , Ashida Keita , Hoshimoto Yoichi 
Published: October 2020

AbstractA Ni(0)-catalyzed intramolecular carbonylative cycloaddition between 1,5-yne-imines and carbon monoxide (CO) is disclosed. When Ni(CO)3PCy3 was employed as a pre-catalyst, a variety of polycyclic α,β-unsaturated γ-lactams were prepared in up to 78% yield with 100% atom efficiency. Aza-nickelacycles, generated by the oxidative cyclization of yne-imines on the Ni(0) center, were experimentally confirmed as key intermediates. Moreover, diastereoselective transformations of the obtained products to afford highly substituted polycyclic γ-lactams with three contiguous carbon stereocenters are reported.
One health in policy development: options to prevent rabies in cattle in Bhutan.
Authors: Rinchen Sangay , Tenzin Tenzin , Gurung Ratna B. , Rinzin Karma , Cork Susan 
Published: October 2020

Abstract

This chapter describes the complex issue of handling rabies cases in cattle in Bhutan and illustrates the value of taking a cross-sectoral One Health approach to developing policy options.
A level-set approach based on reaction–diffusion equation applied to inversion problems in acoustic wave propagation
Authors: Lanznaster D L , de Castro P B , Emmendoerfer H , Mendonça P T R , Silva E C N , Fancello E A 
Published: October 2020

Abstract
In this work, a topology optimization procedure based on the level-set method is applied to the solution of inverse problems for acoustic wave propagation in the time-domain. In this class of inverse problems the presence of obstacles in a background medium must be identified. Obstacles and background are defined by means of a level-set function that evolves by following the solution of a reaction–diffusion equation. Within this approach, no initial guess for the topology nor level-set reinitialization procedures are necessary, contrary to what is commonly observed when the Hamilton–Jacobi equation is used. The objective function is defined as the domain and time integration of the squared difference between experimental and simulation pressure signals. The finite element method is used for the spatial and level-set function discretizations and a time-marching procedure (Newmark scheme) is used to solve the wave propagation problem, as well as the adjoint problem for the sensitivity analysis. Both procedures provide the information needed to define the velocity field for the level set evolution. Results show that the proposed technique is capable to find the location and shape of obstacles within a background medium. Systematic tests show that, as expected, the distribution of sources and receivers shows to have a major influence on the final solution. Results also reproduce known difficulties; when the so called inverse crime is avoided, the identification procedure worsens its performance. Filters and smoothing are among different features that deserve further investigation. Although the formulation presented here focuses on the acoustic wave propagation problem, its extension to wave propagation in elastic media is straightforward.
Effect of local strain energy to predict accurate phase diagram of III–V pseudobinary systems: case of Ga(As,Sb) and (In,Ga)As
Authors: Han Gyuseung , Yeu In Won , Park Jaehong , Ye Kun Hee , Lee Seung-Cheol , Hwang Cheol Seong , Choi Jung-Hae 
Published: October 2020

Abstract
This work proposes an efficient and accurate methodology of ab initio thermodynamics to predict phase diagrams of III–V pseudobinary systems. The innumerable configurations of solid solutions are efficiently considered while maintaining accuracy by calculating the energies of freely relaxed configurations with the combined methodology using density functional theory calculations and cluster expansion. Then, the thermodynamic properties are calculated following a grand canonical ensemble framework that takes into account the local compositional fluctuation. The local strain energy induced by this local compositional fluctuation is found to be independent of the configuration; hence, it is calculated separately and added to the energy of a freely relaxed configuration, which significantly reduces the computational cost. This novel methodology is applied to calculate the phase diagrams of Ga(As,Sb) and (In,Ga)As, showing a good agreement with previous experimental reports. Notably, the strain energy is indispensable to predict phase diagrams accurately. It implies both the validity and the applicability of this method to other III–V pseudobinary systems. From an understanding of the crucial role of the strain energy in phase separation, an intuitive prediction is suggested through a simple estimation of the strain energy using the ratio of lattice parameters between various III–V semiconductor materials.
Characteristics of plasma parameters and turbulence in the isotope-mixing and the non-mixing states in hydrogen–deuterium mixture plasmas in the large helical device
Authors: Ida K. , Yoshinuma M. , Tanaka K. , Nakata M. , Kobayashi T. , Fujiwara Y. , Sakamoto R. , Motojima G. , Masuzaki S. 
Published: October 2020

Abstract
Characteristics of plasma parameters and turbulence in the isotope-mixing and the non-mixing states in hydrogen-deuterium mixture plasmas in the large helical device are discussed. The isotope mixing state is characterized by the uniform isotope ratio profile regardless of the location of the particle source of each species in the isotope mixture plasma. The isotope non-mixing state is identified by the non-uniform isotope ratio profile measured with bulk charge exchange spectroscopy when the beam fueling isotope species differs from the recycling isotope species. The effect of collisionality,

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ratio, sign of density gradient on transition between isotope mixing and non-mixing is discussed. The plasma parameters preferable for the non-mixing state are found to be lower collisionality, higher

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, and negative or zero density gradient (peaked or flat density profile). The time scale of transition from non-mixing to mixing is evaluated by the hydrogen and deuterium pellet injection near the plasma edge and is found to be less than 5 ms, which is much shorter than the particle confinement time. The strong correlation between isotope mixing and turbulence characteristics is observed. This strong correlation suggests the change in turbulence is a strong candidate for the mechanism causing the transition between uniform and non-uniform isotope density ratio profiles.
Simultaneous reduction of graphene oxide (GO) and formation of rGO/Gly-Gly composite for sensitive detection of Cu2+ ions
Authors: Sayyad Pasha W. , Shaikh Zeeshan A. , Ingle Nikesh N. , Al-Gahouari Theeazen , Mahadik Manasi M. , Bodkhe Gajanan A. , Shirsat Sumedh M. , Shirsat Mahendra D. 
Published: October 2020

Abstract
Here, we report the sensitive detection of copper (Cu2+) ions using field-effect transistor (FET) based on reduced graphene oxide/glycylglycine (rGO/Gly-Gly) composite. The simultaneous reduction of graphene oxide (GO) using glycylglycine, and formation of rGO/Gly-Gly confirmed by employing X-ray diffraction (XRD), Ultraviolet–visible (UV-vis) spectroscopy, and fourier-transform infrared spectroscopy(FTIR). The formation of rGO/Gly-Gly composite was confirmed by FTIR spectroscopy. Further, the sensing channel was fabricated with rGO/Gly-Gly and explored for the electrical detection of Cu2+ ions between the concentration range of 100 ppb to 600 ppb. Present study recommends that rGO/Gly-Gly are encouraging for low-cost, portable, and real-time detectionof heavy metal ion sensors.
Wet chemical synthesis and investigations of structural and dielectric properties of BaTiO3 nanoparticles
Authors: More S P , Khedkar M V , Jadhav S A , Somvanshi Sandeep B. , Humbe A V , Jadhav K M 
Published: October 2020

Abstract
Abstract In the present study, Barium Titanate (BaTiO3) nanoparticles were synthesized using one of the best route chemical method that is sol-gel auto combustion method. The structural and dielectric properties were investigated by powder X-ray diffraction (XRD), LCR meter and the results are reported herein. The phase purity and structural determination was carried by XRD technique at room temperature. The analysis of XRD patterns revealed of formation of single phase tetragonal structure. The lattice parameters ‘a’ and ‘c’ were obtained using XRD data and obtained lattice parameters matches with reported value. Average crystallite size was determined using Debye–Scherrer’s formula and is found to be 6.4 Å indicating nanocrystalline nature. Dielectric properties like dielectric constant and dielectric loss tangent was investigated using LCR-Q meter method at varying frequencies. Both dielectric constant and dielectric loss tangent decreases with increasing frequencies. The PE characteristics and other studies are in progress.
Structural, Morphological and Magnetic Properties of Cu2+ Doped ZnO Nanoparticles
Authors: Undre Pallavi G. , Kharat Prashant B. , Kounsalye Jitendra S. , Kathare R. V. , Jadhav K. M. 
Published: October 2020

Abstract
Investigations on the structural, morphological and magnetic properties of Zn1-xCuxO (x=0.00 and 0.05) nanoparticles synthesized via simple and low cost sol-gel auto combustion technique. The synthesized samples were characterized by X-ray diffraction technique (XRD), and vibrating sample magnetometer (VSM). XRD pattern reveals the formation of single phase with hexagonal wurtzite structure of both the synthesized samples. It also confirms the sucssefully incorporation of dopant (Cu2+) into the ZnO lattice. The lattice parameter of Cu2+ doped ZnO is slightly greater than that of pure ZnO nanoparticles. The crystallite size of synthesized samples are as 21 and 19 nm in range. Magnetic study carried out by VSM at room temperature and shows the diamagnetic nature of pure ZnO nanoparticles. After the doping of Cu2+ ions in ZnO changes to ferromagnetic nature. The apperance of ferromagnetism due to the presence of free carriers induced by Cu2+ doped into ZnO nanoparticles.
Synthesis of N-Mannich bases from 3, 4-dihydropyrimidin-2(1H)-ones by using nanostructured Cobalt Chloride Doped Polyaniline Composite as Catalyst (PANI-Co)
Authors: Nagrik Deepak M. , Shelke Umesh S. 
Published: October 2020

Abstract
The Mannich reaction is the type proton assisted of carbon-carbon bond formation reaction that involves the addition of resonance-stabilized carbon nucleophiles to iminium salts and imines. The product of the Mannich reaction is (3-amino carbonyl compounds of biological interest synthesized from the aldehyde, amine, and carbonyl compounds. This reaction is very limited to the only highly reactive aldehydes such as formaldehyde and acetaldehyde, a secondary amine. The direct Mannich-type reaction expanded with the development of the scope of Mannich reaction, and very much efficient method for highly stereo selective type Mannich reactions were extensively well studied and reported in the literature. This study aimed at investigating the synthesis of N-Mannich Bases from the 3, 4-Dihydropyrimidin-2(1H)-ones by using nanostructure Cobalt Chloride Doped Polyaniline composite as Catalyst (PANI-Co). The Synthesis of N-Mannich Bases from 3, 4-Dihydropyrimidin-2(1H)-ones by using nanostructure Cobalt Chloride Doped Polyaniline composite as Catalyst (PANI-Co) was carried out. The effective method for the synthesis of the Mannich bases of synthetically important compounds has been coined. We synthesized the different Mannich Bases from 3, 4-Dihydropyrimidin-2(1H)-ones which give up to 94 % yield.
Soil Characterization Using Physical and Chemical Properties
Authors: Disale A S , Chavan D P , Alameen A S , Undre P B 
Published: October 2020

Abstract
This paper presents the influences of soil chemical composition on pH. Surface soil samples from bare ground without vegetation were collected from different locations of Pune district of Maharashtra State from the top 8 inch at each sampling sites using a sterile shovel. A total of 146 samples were collected and directly put into sterile sampling bags. Physical and chemical properties of soil a total of eleven soil properties were assessed, including pH, Organic Carbon (OC), Nitrogen (N), Calcium Carbonate (CaCO3), Sodium (Na), Potassium (K), Phosphorus (P), Iron (Fe), Manganese (Mn), Copper (Cu) and Zinc (Zn). Pearson’s correlation coefficients studies were employed to highlight the influence of the chemical composition on pH values. It was observed that OC, P, and Na have a significant influence on measured pH values. Whereas there was very low correlation with the N, K, CaCO3, Fe, Mn, Cu and Zn.
Microwave Dielectric characterization of Ayurvedic Medicine using Time Domain Reflectometry Technique
Authors: Chavan D. P. , Londhe C. T. , Disale A S , Undre P B 
Published: October 2020

Abstract
The dielectric dispersion e’ and dielectric loss e” of ayurvedic medicine such as arjunarishta, khadirarishta and lohasava as were measured by employing the Time Domain Reflectometry technique over a frequency range 10 MHz to 20 GHz at 15, 25, 35 and 45°C. The accuracy in the measurement of the e’ and e” values obtained from this technique is within ±5%. To evaluate various dielectric parameters, the frequency dependents complex permittivity (e* (co) = e’ - je”) data viz., dielectric constant, relaxation time and permittivity at high frequency (eoo) were fitted by the non-linear least-squares fit method to Debye expression. Temperature dependent dielectric constant (e0), and relaxation time (x) have been determined. Further the variation in dielectric parameters and molecular reorientation due to change in the molecular structure has been explored by comparing the values of dielectric parameters of arjunarishta, khadirarishta and lohasava.
Study of Volumetric and Optical Properties of Cerium Oxide Nano-Fluid
Authors: Yaseen S A , Alameen A S , Saif F A , Undre S B , Undre P B 
Published: October 2020

Abstract
The study of volumetric and optical properties for cerium oxide nanoflakes dispersed in folic acid and water have been reported for entire concentration range (25 to 150 µM) at room temperature. Cerium oxide nanoflakes have unique properties and emerged in biomedical science field applications. The synthesized nanoflakes was investigated by various spectroscopic, structural and morphological techniques. Volumetric properties including density, apparent molar volume and excess molar volume, optical properties such as refractive index, molar refraction and electronic polarizability have been obtained for the nano-fluid system undertaken and optical absorbance spectra were recorded using UV-vis spectrophotometer for fresh sample and after one week suspension at room temperature. The study of volumetric behaviour of solutions may provide useful information about intermolecular interactions that take place in nano-fluids such as solute–solute, solute–solvent, dipole-dipole interactions and other dispersive forces and help to improve industrial productions and medical applications.
A nano polymer aggregate on a substrate: A Theoretical study
Authors: Kumar Mishra Pramod 
Published: October 2020

Abstract
We use lattice model to investigate the thermodynamics of an ideal semi-flexible polymer chain at the nano scale. The polymer chain is assumed to polymerize on the nano size substrate and the conformations of the chain were realized on the substrate using a square lattice. Our analytical estimates show clear distinctions in the thermodynamics of the polymer chain from its corresponding bulk . The persistent length versus stiffness curve varies linearly at the possible small length scale but in the bulk this variation is gradual. The polymer chain is confined from each direction and therefore, the nature of the force of confinement on a flexible and a semi-flexible chains has also been discussed for the proposed nano scale confinement.
Nanocatalyst: A Brief Review on Synthesis to Applications
Authors: Somwanshi Saurabh B. , Somvanshi Sandeep B. , Kharat Prashant B. 
Published: October 2020

Abstract
As the world is at present confronting tremendous issues concerning the atmosphere, energy, and the environment, catalysis innovations have all the earmarks of being getting critical to energy, synthesis process, and environmental areas. In the recent years, transformation of the research on catalytic activities and advanced catalyst was seen with the advancement of nanotechnology. Undoubtedly, the utilization of nanomaterials in catalysis and, all the more especially, inorganic nanoparticles has pulled in many research attempts over the globe to create imaginative and greener conventions. These nanoparticles can be used as the catalyst or as mediator and can encourage the reactant procedure in new medium such as, water. Besides, attributable to their little size and expanded surface area, nano-catalysts have obviously risen as offering an interesting candidate at the interface among homogeneous and heterogeneous catalysis, taking into consideration an expanded response rate. Furthermore, nanoparticles give extra reactant functionalities because of their interesting inherent properties (e.g., nanomagnetism, photocatalytic activity). Along these lines, in this pursuit for eco-friendly and more affordable catalyst, nano-catalysis is turning into a significant field in science, which is applied broadly in the academics and industrial areas. This brief review principally centered around portraying the major comprehension of nano-catalysis, how remarkable catalytic property and other explicit properties of nanomaterials rely upon its size and structure at the nano level.
Synthesis and characterization of highly hydrophobic, oil-absorbing aerogels for oil spill applications; A Review
Authors: Gajanan Patil Pradnya , Sharma R. P. , Chakrabarty Aurab 
Published: October 2020

Abstract
The review report reflects on the potential of highly hydrophobic silica aerogel as a viable material for oil absorption application in the clean-up of oil spills on oceans. The review presents the conventional clean-up technologies, silica aerogel synthesis and coatings by sol-gel method and simulation techniques to predict the maximization of efficiency as well as mechanical characteristics for practical applications.
Synthesis, Structural and Spectroscopic investigation of Gd2(WO4)3 phosphor
Authors: Shruthi D L , Shanker Ojas , Gowda Likith , Kudige Pranav , Jagannatha Reddy A , Anil Kumar G N 
Published: October 2020

Abstract
In the present work we synthesis Gd2(WO4)3 phosphor by hydrothermal method. X-ray diffraction results show that the samples are crystallized in monoclinic crystal structure without any impurity phases. Rietveld refinement data confirms the phosphors belong to space group C2/c. FTIR spectra showed the stretching and bending vibration modes. UV-Visible absorption spectroscopy illustrate the optical band gap (Eg) value of prepared sample. SEM micrographs indicate the agglomerated spherical particles. Gd2(WO4)3 phosphor exhibits high optical and structural stability.
Biodiversity study of several peatland types in Papua
Authors: Sundari S , Ibo L K , Rahajoe J S , Alhamd L , Gunawan H , Priyono N C 
Published: October 2020

Abstract
Research on biodiversity study of several peatland types in Papua had been carried out in Merauke and Mappi. The plot method was used for ecological research and interviews method for ethnobotany research. The results showed that the most important species which have the highest Importance Value Index (IVI) were Beilschmiedia sp., Carallia brachiate (Lour.) Merr., and Kibara coriacea (Blume) Hook. f. & A. Thomps. in Kaliki Village, whereas it was Melaleuca leucadendra (L.) L only in Marga Mulia Village, Merauke. The most important species which have the highest IVI were Semecarpus forstenii Blume, Archidendron clypearia (Jack) I.C. Nielsen, and Campnosperma auriculatum (Blume) Hook.f. in Khanami Village, while they were Calophyllum euryphyllum Lauterb, Diospyros toposiodes King & Gamble, and Syzygium effusum (A.Gray) Müll. Stuttg in Yame Village, Mappi. The plants are used for building materials and ships, medicinal materials, food ingredients, animal feed, energy-producing materials/firewood, and material in traditional rituals.