bluuebunny/crossref_metadata_2025 huggingface dataset:
Quantum algorithm for alchemical optimization in material design
Authors: Barkoutsos Panagiotis Kl. , Gkritsis Fotios , Ollitrault Pauline J. , Sokolov Igor O. , Woerner Stefan , Tavernelli Ivano
Published: January 2021

‘Alchemical’ quantum algorithm for the simultaneous optimisation of chemical composition and electronic structure for material design. By exploiting quantum mechanical principles this approach will boost drug discovery in the near future.
Nanopore gatesviareversible crosslinking of polymer brushes: a theoretical study
Authors: Perez Sirkin Yamila A. , Tagliazucchi Mario , Szleifer Igal
Published: January 2021

A molecular theory is used to study the effect of soluble crosslinkers on the structure of a polymer brush confined within a nanopore, as well as the transport efficiency of nanometer-sized cargoes through the pore.
Hydrothermal synthesis of palladium nitrides as robust multifunctional electrocatalysts for fuel cells
Authors: Guo Ruiyun , Zhang Ke , Liu Yaming , He Yucheng , Wu Chao , Jin Mingshang
Published: January 2021

An efficient hydrothermal synthesis has been reported for the preparation of PdNxnanocrystals with controllable stoichiometries, which can exhibit superior catalytic performance toward a wide range of fuel cell reactions.
Surface and interface engineering for highly efficient Cu2ZnSnSe4 thin-film solar cells via in situ formed ZnSe nanoparticles
Authors: Yoo Hyesun , Park Jongsung , Suryawanshi Mahesh P. , Lee Jiwon , Kim JunHo , Eom Kiryung , Seo Hyungtak , Jung HyoRim , Kim Dong Myeong , Shin Seung Wook , Kim Jin Hyeok
Published: January 2021

In situ formed ZnSe NPs on the surface of CZTSe offer surface and interface engineering and provide a favourable band alignment between CZTSe and CdS leading to an improved device efficiency of 10.49%.
Modelling extreme precipitation: an application to two selected rainfall stations in Malaysia
Authors: Mohd Jamil Aida Adha , Mohamad Yunus Rossita , Zubairi Yong Zulina
Published: January 2021

Statistical models of rainfall have been applied in the understanding of the rainfall past trends, identifying for any anomalies, and making projections of future climate change in Malaysia. Herein, we analyse the rainfall data of 7-year period using the gamma and beta regression models to fit Malaysian extreme precipitation events of two stations, each in the West Coast region and the East Coast region, with extreme precipitation calendar date (in the angular form) as the predictor of the models. While the significance test as the p-value is much less than 0.05, it shows that there is a significant relationship between the climatology response variables. The deviance residual plot will be used to check the goodness of fit for diagnostic checking. The results show the models are useful in highlighting the latest trends and projections of climate change in Malaysia.
An indicator for month-trading of stocks
Authors: Koh You Beng , Ng Yew Seong , Pooi Ah Hin
Published: January 2021

Some individual investors who find day-trading of stocks incompatible with their lifestyle might want to adopt month–trading instead. In this paper, we use the historical monthly share prices to construct an indicator to guide us in trading a portfolio of two stocks in the Malaysian stock market on a monthly basis. Apart from helping us in the selection of the two stocks, the indicator also provides guidance on the choice of the weight of each stock in the portfolio and the determination of the time to invest in the portfolio.
Environmental assessment and improvement strategies for electric bus operations
Authors: Teoh Lay Eng , Goh Siew Yoke , Khoo Hooi Ling
Published: January 2021

In accordance with worldwide environmental problems and fossil oil dependency concern, green mobility with electric buses is receiving increasing attention as an essential road transport. Environmentally, electric buses emerge as a promising solution in particular to alleviate the emission and noise pollution. Nevertheless, there is no available method on how to quantify green (environmental) performance of electric buses that could provide proper guidance to the bus operators. Therefore, this study aims to construct a green index assessment and improvement framework for electric buses by capturing bus noise, emission and energy consumption level explicitly. The proposed framework, which is capable of quantifying the green level of electric bus operations, plays a vital role in improving the green performance of bus operating system, by considering numerous operational aspects. In order to examine the applicability of the proposed approach, an illustrative case study, focusing on the electric bus operations of Putrajaya (Malaysia), is analyzed accordingly. The resultant findings show that the green performance of electric buses would be different at varying degrees, depending on various inter-correlated factors. It is anticipated that this study may reveal some beneficial insights for the bus operators to operate environmental-friendly electric buses feasibly.
Robot pathfinding with obstacle avoidance capabilities in a static indoor environment via TOR iterative method using harmonic potentials
Authors: Ahmad Dahalan A’Qilah , Saudi Azali , Sulaiman Jumat
Published: January 2021

Mobile robots are always in a state where they have to find a collision-free path in their environment from start to the target point. This study tries to solve the problem of mobile robot iteratively by using a numerical technique. It is based on potential field technique that was modelled using the Laplace’s equation to restrain the creation of a potential functions across regions in the mobile robot’s configuration space. The gradient formed by the potential field is then used to generate a path for the robot to advance through. The present paper proposes a Two-Parameter Over-Relaxation (TOR) iterative method that is used to solve Laplace’s equation for obtaining the potential field that is then utilized for finding path of the robot, thus solving the robot pathfinding problem. The experiment indicates that it is capable of producing a smooth path between the starting and target points through the use of a finite-difference technique. Furthermore, the simulation results show that this numerical approach executes quicker and provides a smoother trail than to the previous works, that includes Successive Over-Relaxation (SOR) and Accelerated Over-Relaxation (AOR) methods.
The Operational and Financial Value of an Interventional Radiology Clinic at a Large, Academic, Tertiary Public Hospital System
Authors: McDevitt Joseph L. , Quadri Rehan S. , Sutphin Patrick D. , Reddick Mark
Published: January 2021

Purpose To evaluate the operational and financial impact of an interventional radiology (IR) clinic at a tertiary county hospital system.

Methods The IR clinic, which opened in January 2017, evaluates outpatient referrals and completes preprocedure workups, nonimage-guided procedures, and postprocedure follow-up visits. Procedural volumes, locations, start times, and end times were analyzed from September 2015 to June 2018, with comparison of pre- and postclinic values by t-tests.

Results Relative to the preclinic period, the number of IR cases completed each quarter has increased by an average of 12% (pre: 953 ± 63, post: 1063 ± 34, p = 0.01). Procedures that saw the largest quarterly growth included port placements (44% increase; pre: 82 ± 8, post: 118 ± 17, p = 0.002), inferior vena cava (IVC) filter placements (24% increase; pre: 33 ± 12, post: 41 ± 8, p = 0.20), IVC filter removals (72% increase; pre: 18 ± 7, post: 31 ± 8, p = 0.02), and treatments of lower extremity venous disease (100% increase; pre: 7 ± 2, post: 14 ± 6, p = 0.04). Completion of 119 cases/quarter in clinic (removal of tunneled catheters and infusion ports), as well as a reduction of emergent nephrostomy exchanges, reduced quarterly facility charges for these procedures by $350,000. Since the opening of the IR clinic, the first outpatient case started 36 minutes earlier (p < 0.001) and the last case finished 19 minutes earlier (p = 0.004).

Conclusion Opening an IR clinic resulted in a significant increase in case volume while reducing avoidable costs and improving efficiency of the angiography suite.
Thromboelastography Platelet Mapping—A Useful Preoperative Tool to Reduce Transfusion Requirement by Determining Timing of Coronary Artery Bypass Graft Surgery in Patients taking Dual Antiplatelet Medication: A Pilot Study from Eastern India
Authors: Datta Suvro  Sankha , De Dibyendu , Bose Satyajit
Published: January 2021

In this pilot study, we proposed an algorithm to use thromboelastography platelet mapping (TEG-PM) as an effective preoperative platelet function assessment tool in coronary artery bypass graft surgery (CABG) to reduce the transfusion requirement by determining timing of surgery in patients who are on dual antiplatelet therapy (DAPT). Total 15 elective CABG patients who were receiving DAPT were tested by TEG-PM assay after 72 hours’ stoppage of both medications. Four patients who had < 50% inhibition with agonists (arachidonic acid [AA] and adenosine diphosphate [ADP]) were operated within 24 hours of assay. Eight patients who had > 70% inhibition with AA/ADP, surgery was deterred till 48 hours, and 3 patients with > 50% but < 70% inhibition were operated within 24 hours after preoperative prophylactic platelet transfusion. Transfusion requirement was recorded and compared with the previous transfusion data for CABG cases operated without TEG-PM. Distribution of ADP inhibition was 67.54 ± 30.03% and AA inhibition was 60.69 ± 30.14%, showing a variable offset of the effect of both medications starting after 72 hours of cessation. Overall transfusion requirement was decreased by using TEG-PM algorithm. Preoperative platelet function testing to determine the timing of surgery by TEG-PM assay in DAPT-treated patients may be a useful strategy to reduce transfusion requirement in CABG.
Direct democracy integrity and the 2017 constitutional referendum in Turkey: a new research instrument
Authors: Kersting Norbert , Grömping Max
Published: January 2021

In some countries, direct democracy is used successfully to increase legitimacy of decisions or mitigate conflict, and in other countries, authoritarian leaders seem to instrumentalize and manipulate referendums. How can referendum integrity be analyzed? This article presents an empirical instrument to evaluate the variety and integrity of referendums. This encompasses criteria for the analysis of direct democracy. First, we develop a referendum cycle model based on the electoral cycle framework, assessing referendum quality in a number of dimensions from electoral laws and electoral procedures, thematic limitations of referendums, to voter registration, the initiation of referendums, campaign and media coverage as well as campaign financing. The empirical instrument is designed to be used in expert surveys, and piloted in the Turkish constitutional referendum of 2017. The article presents the results of the pilot study, draws out opportunities and limitations of this approach and suggests avenues for its future development.
Low-temperature hall effect and martensitic transition temperatures in magnetocaloric Ni50Mn35Sb15−xGex (x = 0, 1, 3) alloys
Authors: Marchenkov V. V. , Emelyanova S. M.
Published: January 2021

The field dependence of Hall resistivity ρH and magnetization M of the magnetocaloric Ni50Mn35Sb15−xGex (x = 0, 1, 3) alloys were measured at T = 4.2 K and in magnetic fields of up to 70 kOe. The martensitic transitions temperatures, i.e., the martensite start temperature MS, martensite finish temperature MF, austenite start AS and austenite finish AF temperatures, were obtained from the magnetization temperature dependence that measured from 4.2 to 350 K in a field of 1 kOe. It was observed that the martensitic transitions temperatures correlate strongly both with the valence electron concentration e/a and with the electronic transport characteristics, which are the coefficients of normal R0 and anomalous RS Hall effect and the concentration of charge carriers n. Apparently, similar correlations should be observed in other magnetocaloric compounds that could be used to study martensitic transitions.
Plant propagation.
Authors: Cottrell Vicki
Published: January 2021

It is thought that plant propagation, i.e. multiplying plants, preserving their qualities, and tending them, began approx. 10,000 years ago when people began to cultivate plants for food and other products (Hartman et al., 2010). Most basic methods of plant propagation had been discovered before the start of recorded history, and many plant species had already been domesticated (selected and adapted to human use), including cereals and legumes (Hartman et al., 2010). The two main types of plant propagation are sexual and asexual propagation. Sexual propagation usually involves the production of seed, leading to production of progeny with variable characteristics, so it is often used in plant breeding. Asexual propagation leads to clones of the parent plant and is useful when specific characteristics are desired in the new plants. There are many different forms of asexual or vegetative propagation, including cuttings, grafting, division, storage organs and in vitro techniques.
Inner ear malformations and neurological involvement
Authors: Brotto Davide , Bovo Roberto , Martini Alessandro
Published: January 2021

Inner ear malformations are associated with different degrees of hearing loss. Some of these anomalies require cochlear implantation because of the occurrence of profound hearing loss. The radiological imaging necessary for the evaluation of the congenital hearing loss might also reveal the concomitant presence of important collateral findings such as the central nervous system and cranial nerves malformations. These neurological features might be extremely important in the surgical planning of the cochlear implantation and also have a role in the hearing and speech development of the affected children. In addition, anomalies affecting specific structures of the inner ear should be considered predisposing factors for otogenic meningitis and they should be identified as early as possible. The present review aims to summarize the available literature about this specific topic crucial for the patients’ neuropsychological and auditory development.
Shaping Effects on Zonal Flow in Tokamaks
Authors: Li J , Liu S Q , Wang Z T
Published: January 2021

Zonal flows are m = n = 0 electrostatic potential fluctuations with a finite radial wave-number. Plasma shaping effects on zonal flow are studied with gyrokinetic theory. We focus on the effect of the elongation E particularly. A new coordinates which are related to elongation are rigorously developed in the analysis of gyrokinetic equation. The GAM real frequency and damping rates are inversely proportional to elongation E which seems to be consistent with that measured in ASDEX-Upgrade. The lower the GAM frequency the more important it is expected to become in moderating the turbulence via shear decorrelation. Reduction of GAM damping rates could help to generate the zonal flow.
Development of a Nuclear Energy Spectrum Signal Generator
Authors: Zhai Juan , Chen Jiehao , Lin Hongjian , Zhou Jinge , Huang Jinchu
Published: January 2021

A digital nuclear pulse and digital nuclear energy spectrum signal generator was designed using FPGA and digital frequency synthesizer (DDS). It also includes slip signal, triangle wave, square wave, sine wave output. By randomly sampling the amplitude information and time information of the reference spectrum line, the complex algorithm of nuclear signal reproduction is avoided, and the simulation of the nuclear signal random pulse and nuclear energy spectrum (137Cs gamma spectrum) is realized. The signal amplitude is adjustable from 0.1V to 10V, and the frequency is adjustable from 10Hz to 10kHz.
Bifurcation Analysis of a Bistable Nonlinear Vibration Energy Harvester with Elastic Boundary
Authors: Zhang Jingyu , Li Xuefeng , Li Renfu , Yang Kai
Published: January 2021

This paper presents a novel bistable vibration energy harvester with an elastic boundary (BVEH_EB). The bistable nonlinearity of the BVEH_EB is realized by an inclined spring, which could induce a large-amplitude inter-well response to pursue high harvesting efficiency. The elastic boundary brings additional dynamic coupling with the inclined spring to reduce the depth of the potential energy well, which could enhance the inter-well response. The bifurcation responses in terms of different parameters such as the magnet mass, the inclined spring stiffness, the excitation frequency, and the excitation amplitude are numerically investigated. Abundant nonlinear phenomena, such as intra-well oscillation, inter-well oscillation, chaos, etc., are observed. The design guidelines of the BVEH_EB are developed, which could provide a novel harvesting method.
A Model to Design Giant Magnetoresistive Sensor
Authors: Cao Zhiqiang , Chen Weibin , Zhao Hailun , Zhao Weisheng , Leng Qunwen
Published: January 2021

Giant magnetoresistive (GMR) sensor has developed rapidly in automobile, consumer electronics and current sensing areas due to its high sensitivity and low power consumption. In this work, we suggest a method to design GMR sensor based on Stoner-Wohlfarth coherent rotation model. We have investigated the influence of width of GMR sensor to its performance with the model and verified with experiments. And different pinning direction GMR elements are also researched to study Wheatstone bridge structure. The experimental results matched well with the simulation results which proved that the model is efficient in designing GMR sensor.
Solubility of Monolayer MoS2 and Expected Bioabsorbable LED
Authors: Peng Dongsheng , Liu Kailong
Published: January 2021

Transient electronic technology is a new technology, which is characterized by the ability to dissolve, decompose in a controlled way. Expected adhibitions include bioabsorbable or biodegradable medical implants, hardware-safe storage devices and biodegradable sensors.2D materials may play a vital role in these systems due to their unique electrical, thermal, mechanical and optical properties. Monolayer MoS2 is a recently discovered biosoluble two-dimensional material. Monolayer MoS2 has unique semiconductor characteristics and biological absorption properties. Single-layer MoS2 is a direct band gap semiconductor material, and it has a high electron mobility, good current switching ratio, very low power consumption. These characteristics of single-layer MoS2 make it have great potential in electronic/optoelectronic devices, sensors, photothermal therapeutics, and biomedical applications. In this aspect, the ability to dissolve single-layer MoS2 in the biological liquid can be used to regulate the performance and life of the relevant bio-absorbable devices and systems. Based on monolayer MoS2, we designed a bio-absorbable LED. Furthermore, the wet transfer process of single layer MoS2 was optimized to some extent.
Organizing an international conference online during a pandemic: first experience
Authors: Shchur Lev
Published: January 2021

We discuss an international conference, “Computer simulations in Physics and beyond” organized at October 2020 during a pandemic. We pay a particular account for the advantages and disadvantages of holding an international conference online.
Parallel hybrid Monte Carlo / Molecular Statics for Simulation of Solute Segregation in Solids
Authors: Ganesan Hariprasath , Longsworth Margarita , Sutmann Godehard
Published: January 2021

A parallel hybrid Monte Carlo/molecular statics method is presented for studying segregation of interstitial atoms in the solid state. The method is based on the efficient use of virtual atoms as placeholders to find energetically favorable sites for interstitials in a distorted environment. MC trial moves perform an exchange between a randomly chosen virtual atom with a carbon atom followed by a short energy minimization via MS to relax the lattice distortion. The proposed hybrid method is capable of modeling solute segregation in deformed crystalline metallic materials with a moderate MC efficiency. To improve sampling efficiency, the scheme is extended towards a biased MC approach, which takes into account the history of successful trial moves in the system. Parallelization of the hybrid MC/MS method is achieved by a Manager-Worker model which applies a speculative execution of trial moves, which are asynchronously executed on the cores. The technique is applied to an Fe-C system including a dislocation as a symmetry breaking perturbation in the system.
Local time evolution in Personal Communication Service model
Authors: Ziganurova Liliia , Shchur Lev
Published: January 2021

We investigate the local time evolution in the Personal Communication Service (PCS) model simulated with the parallel discrete event simulation method’s optimistic algorithm. We propose a model for the optimistic local virtual time evolution (OLVT) in PCS, which is reminiscent of statistical physics’s surface growth. We use Rensselaer’s optimistic simulation system with the Time Warp implementation. We compare the results of the simulations of both PCS and OLVT models and found good agreement. We discuss the highlights of our approach in the analysis of scalability and synchronization using the OLVT model.
Reweighting in Monte-Carlo calculation Renormalized Coupling Constant for the Three-Dimensional Ising Model
Authors: Brazhnik V , Kostashchuk A , Vakilov A
Published: January 2021

We investigated the thermodynamic behaviour of the three-dimensional Ising model near the critical temperature region using Monte Carlo calculations. The magnetic susceptibility, the correlation-length and renormalized coupling constant were calculated using the reweighting method.
Monte Carlo simulation of the critical behavior near the percolation threshold with invaded cluster algorithm
Authors: Shlyakhtich Maria , Prudnikov Pavel
Published: January 2021

We investigated the critical behavior of the disordered three-dimensional Ising model with an impurity concentration close to the threshold of impurity percolation p = pc
= 0.688 313 500 on high-performance computing systems. The system was updated using Metropolis algorithm and invaded cluster algorithm from initial configurations. The values of dynamic critical exponent z and static critical exponents β and v were obtained in this paper.
On boundaries in social dynamics models with large number of agents
Authors: Ignatovskaya Valeriya , Manita Larisa , Manita Anatoly
Published: January 2021

It is known that community boundaries in social systems evolve in a rather complicated manner. We investigate several well-known models of interpersonal interaction as well as their modifications in order to establish some asymptotic results of the long time behaviour of the edge in large (or infinite) configurations of agents. We also show that the introduction of randomness in such models can lead to promising applications of some powerful probabilistic tools.
Predictive models for metrological data of engineering systems
Authors: Alexander Lukankin , Sergey Slastnikov
Published: January 2021

Paper is devoted to the predictive models for metrological indicators on the real estate engineering infrastructure. The solution is in demand among many enterprises both in terms of security and economic considerations. The key task is to build a mathematical model performing predictions on the real data samples. We study both classical predictive models (ARIMA, SARIMA) and modern machine learning based approaches (RBF, LSTM), and compare them.
Application of multigrid methods for solving systems of linear algebraic equations of large dimension in the context of model differential equations
Authors: Vikulin Sergey Dmitrievich , Pershin Anton Yurevich , Sokolov Alexander Pavlovich
Published: January 2021

The geometric multigrid method has been implemented using the V-cycle for solving the high-dimensional linear algebraic equation systems that appear when applying the finite element and finite difference methods for the problems of mathematical physics. The results of the convergence comparison between the classical iterative methods (Jacobi, Gauss-Seidel or the conjugate gradient method) and the implemented geometric multigrid method have been obtained.
Extending the Problem Data Size for GPU Simulation Beyond the GPU Memory Storage with LRnLA Algorithms
Authors: Perepelkina Anastasia , Levchenko Vadim , Zakirov Andrey
Published: January 2021

To use the CPU RAM to store the data of a GPU simulation, the data exchange between CPU and GPU is required. With LRnLA algorithms, the computation without data exchange is made longer, and the data exchange may be concealed. In this work, the concept is demonstrated with the Lattice Boltzmann method simulation with ConeTorre LRnLA algorithm on GPU. A new method of data storage is proposed. The data on the synchronization planes are stored in tiles, and on the wavefront slopes a new data structure is used, which is optimized for cell data exchange between LRnLA sub-tasks. The performance tests show less than 5% overhead for CPU-GPU communication, and the GPU performance persists for simulations where the main storage site is the CPU RAM.
Efficient implementation of space-time adaptive ADER-DG finite element method with LST-DG predictor and a posteriori sub-cell WENO finite-volume limiting for simulation of non-stationary compressible multicomponent reactive flows
Authors: Popov Ivan S
Published: January 2021

The present work is devoted to the study of efficient implementation of spacetime adaptive ADER finite element discontinuous Galerkin method with a posteriori correction technique of solutions on subcells by the finite-volume ADER-WENO limiter scheme for simulation of non-stationary compressible multicomponent reactive flows. The multicomponent and reaction properties of the flow are considered in the form of convection-reaction equations. Therefore an effective scheme of splitting the original nonlinear system of algebraic equations of LST-DG predictor was developed to obtain an efficient iterative solution method. This approach is based on the use of the linearity property of the system of equations for the discrete spacetime solution for the system of convection equations, which makes it possible to pre-compute the inverse matrices, and allows the vectorized calculation of the transfer of individual components. The change in the concentrations of the components in the convection-reaction equations and the energy yield in the gas-dynamic equations due to the reactions are calculated using the global iterations. The iterative scheme for the original essentially nonlinear system of equations is split into a sequence of smaller systems. The approach is well applicable for the problems, especially in the case of a large number of components and reactions in the flow.
The system of predictive analysis of Bank investments using technologies of supercomputer simulation
Authors: Belov A V , Kurmanova K A
Published: January 2021

The article discusses an approach to building a system for generating a bank investment prediction with the technology of parallel computing. We develop a predictive model of the price of securities for the banking business on the stock market. For predictive analysis of investments, the choice of a mathematical model was justified using the Monte Carlo method. Computer simulation was carried out to form a forecast of securities prices based on historical data on securities of Goldman Sachs. Estimates of the execution time of the forecasting algorithm by the parallel programming method are obtained. The conclusion is made about the applicability of the proposed model when using the method of algorithmic trading in the stock market. The technical requirements for the development of a predictive analytics system for the Bank's investment portfolio are formulated.
Solitary waves in a two-dimensional graphene-based superlattice
Authors: Glazov Sergey , Syrodoev Gennadii
Published: January 2021

The article is about the features of the propagation of solitary electromagnetic waves in the two-dimensional graphene superlattice both in the collisionless mode and in the collision mode. The quasiclassical approach has been used, in which the law of the dispersion of charge carriers is determined by the approximation of the quantum mechanical calculations. The magnitude of the electric current has been calculated by using the classic kinetic Boltzman equation with the model collision integral in the constant relaxation frequency approximation. The effect of the high-frequency electric field and the nonadditivity of the energy spectrum on the propagation of a solitary electromagnetic pulse in the arbitrary directions inside a sample has been determined. The numerical simulation of the evolution of solitary electromagnetic pulses is performed by using the method of difference schemes.
Ensemble approach to weather forecasting
Authors: Astakhova Elena , Alferov Dmitry , Alferov Yuri , Bundel Anastasia
Published: January 2021

Numerical simulations of the Earth System evolution are the basis of weather forecasts. Due to chaotic nature of the atmosphere, an inevitable inaccuracy of initial state information, and models imperfection their results are always uncertain. To be correctly interpreted by a user, each weather forecast should be supplemented by an estimate of its uncertainty. An ensemble approach is the only practically affordable method to solve the problem. With this approach, it is possible not only to get an a priori estimate of forecast uncertainty, but also to improve a mean forecast skill and to present alternative scenarios of future weather evolution. Ensemble prediction systems are highly time-consuming and can be implemented only on powerful supercomputers. A global ensemble medium-range prediction system has been running operationally at the Hydrometcenter of Russia since 2015. A short-range limited-area convection-permitting ensemble prediction system was developed for meteorological support of the Sochi Olympic Games 2014 and is now applied for research. Characteristics of the systems, peculiarities of their computer implementation and verification results are discussed.
Effectiveness and impact of a structured research approach for health-system pharmacy administration and leadership residents
Authors: Vest Tyler A , Amerine Lindsey B , Savage Scott W , Rao Kamakshi V , Eckel Stephen F
Published: January 2021

Purpose

Required competency areas, goals, and objectives for both postgraduate year 1 (PGY1) pharmacy residencies and postgraduate year 2 (PGY2) health-system pharmacy administration and leadership (HSPAL) residencies indicate the importance of research in the residency program by specifying it as a required part of the training process. Research is critical in the field of health-system pharmacy administration, which is built upon the principles of evaluation and assessment, ensuring that all activities implemented in an organization are evaluated through data collection and assessment to determine their impact. Additionally, the research structure provides residents the opportunity to share research broadly, and it also provides the platform for other institutions to implement successful ideas of interest to them.

This article describes the impact of having a structured, publication-focused research program in an HSPAL residency. The research process has provided follow-up projects (n = 7) and grant participation (n = 6). Additionally, the process has yielded a 66% publication rate, with 21 of 32 thesis substitutes published in various journals. The department of pharmacy at the residency site has noticed that the continued refinement, scoping, and robust methodologies of projects have been essential to their impact in the literature and in dissemination of the accumulated body of knowledge.

Conclusion

A structured residency research program has provided direction to HSPAL residents and ensured successful scoping and completion of their research. Intentionality in this aspect has provided HSPAL residents with opportunities for publications, grants, and strong research experiences. Overall, the department of pharmacy has been positively impacted through implementation of services that were evaluated through a structured HSPAL pharmacy residency research program.
Molecular mechanism of negative cooperativity of ferredoxin-NADP+ reductase by ferredoxin and NADP(H): involvement of a salt bridge between Asp60 of ferredoxin and Lys33 of FNR
Authors: Chikuma Yutaro , Miyata Masayuki , Lee Young-Ho , Hase Toshiharu , Kimata-Ariga Yoko
Published: January 2021

Ferredoxin-NADP+ reductase (FNR) in plants receives electrons from ferredoxin (Fd) and converts NADP+ to NADPH at the end of the photosynthetic electron transfer chain. We previously showed that the interaction between FNR and Fd was weakened by the allosteric binding of NADP(H) on FNR, which was considered as a part of negative cooperativity. In this study, we investigated the molecular mechanism of this phenomenon using maize FNR and Fd, as the three-dimensional structure of this Fd:FNR complex is available. NMR chemical shift perturbation analysis identified a site (Asp60) on Fd molecule which was selectively affected by NADP(H) binding on FNR. Asp60 of Fd forms a salt bridge with Lys33 of FNR in the complex. Site-specific mutants of FdD60 and FNRK33 suppressed the negative cooperativity (downregulation of the interaction between FNR and Fd by NADPH), indicating that a salt bridge between FdD60 and FNRK33 is involved in this negative cooperativity.
Bridging the gap from research to practice for enhanced health-related quality of life in people with chronic kidney disease
Authors: Segura-Orti Eva , Koufaki Pelagia , Kouidi Evangelia
Published: January 2021

Improving the health status of people with chronic kidney disease (CKD) through physical activity (PA) or exercise interventions is challenging. One of the gaps in the process of translating the general public PA activity guidelines as well as the CKD-specific guidelines into routine clinical practice is the lack of systematic recording and monitoring of PA and physical function attributes, which can also be used to develop individualized and measurable plans of action to promote PA for health. We aim to present an overview of key considerations for PA, physical function and health-related quality of life (HRQoL) evaluation in people with CKD, with the aim of encouraging health professionals to integrate assessment of these outcomes in routine practices. Physical inactivity and impaired physical function, sometimes to the extent of physical and social disability levels, and subsequently lower perceived HRQoL, are highly prevalent in this population. Enhanced PA is associated with better physical function that also translates into multiple health benefits. Breaking the vicious circle of inactivity and physical dysfunction as early as possible in the disease trajectory may confer huge benefits and enhanced life satisfaction in the longer term. With this in mind, the importance of PA/exercise interventions in CKD to improve HRQoL is also summarized.
Genome analysis of Salmonella enterica serovar Typhimurium bacteriophage L, indicator for StySA (StyLT2III) restriction-modification system action
Authors: Zaworski Julie , McClung Colleen , Ruse Cristian , Weigele Peter R , Hendrix Roger W , Ko Ching-Chung , Edgar Robert , Hatfull Graham F , Casjens Sherwood R , Raleigh Elisabeth A
Published: January 2021

Bacteriophage L, a P22-like phage of Salmonella enterica sv Typhimurium LT2, was important for definition of mosaic organization of the lambdoid phage family and for characterization of restriction-modification systems of Salmonella. We report the complete genome sequences of bacteriophage L cI–40 13–am43 and L cII–101; the deduced sequence of wildtype L is 40,633 bp long with a 47.5% GC content. We compare this sequence with those of P22 and ST64T, and predict 72 Coding Sequences, 2 tRNA genes and 14 intergenic rho-independent transcription terminators. The overall genome organization of L agrees with earlier genetic and physical evidence; for example, no secondary immunity region (immI: ant, arc) or known genes for superinfection exclusion (sieA and sieB) are present. Proteomic analysis confirmed identification of virion proteins, along with low levels of assembly intermediates and host cell envelope proteins. The genome of L is 99.9% identical at the nucleotide level to that reported for phage ST64T, despite isolation on different continents ∼35 years apart. DNA modification by the epigenetic regulator Dam is generally incomplete. Dam modification is also selectively missing in one location, corresponding to the P22 phase-variation-sensitive promoter region of the serotype-converting gtrABC operon. The number of sites for SenLTIII (StySA) action may account for stronger restriction of L (13 sites) than of P22 (3 sites).
Chasing breeding footprints through structural variations inCucumis meloand wild relatives
Authors: Demirci Sevgin , Fuentes Roven Rommel , Dooijeweert Willem van , Aflitos Saulo , Schijlen Elio , Hesselink Thamara , de Ridder Dick , Dijk Aalt D J van , Peters Sander
Published: January 2021

Cucumis melo (melon or muskmelon) is an important crop in the family of the Cucurbitaceae. Melon is cross pollinated and domesticated at several locations throughout the breeding history, resulting in highly diverse genetic structure in the germplasm. Yet, the relations among the groups and cultivars are still incomplete. We shed light on the melonbreeding history, analyzing structural variations ranging from 50 bp up to 100 kb, identified from whole genome sequences of 100 selected melon accessions and wild relatives. Phylogenetic trees based on SV types completely resolve cultivars and wild accessions into two monophyletic groups and clustering of cultivars largely correlates with their geographic origin. Taking into account morphology, we found six mis-categorized cultivars. Unique inversions are more often shared between cultivars, carrying advantageous genes and do not directly originate from wild species. Approximately 60% of the inversion breaks carry a long poly A/T motif, and following observations in other plant species, suggest that inversions in melon likely resulted from meiotic recombination events. We show that resistance genes in the linkage V region are expanded in the cultivar genomes compared to wild relatives. Furthermore, particular agronomic traits such as fruit ripening, fragrance, and stress response are specifically selected for in the melon subspecies. These results represent distinctive footprints of selective breeding that shaped today’s melon. The sequences and genomic relations between land races, wild relatives, and cultivars will serve the community to identify genetic diversity, optimize experimental designs, and enhance crop development.
Local adaptation contributes to gene expression divergence in maize
Authors: Blanc Jennifer , Kremling Karl A G , Buckler Edward , Josephs Emily B
Published: January 2021

Gene expression links genotypes to phenotypes, so identifying genes whose expression is shaped by selection will be important for understanding the traits and processes underlying local adaptation. However, detecting local adaptation for gene expression will require distinguishing between divergence due to selection and divergence due to genetic drift. Here, we adapt a QST−FST framework to detect local adaptation for transcriptome-wide gene expression levels in a population of diverse maize genotypes. We compare the number and types of selected genes across a wide range of maize populations and tissues, as well as selection on cold-response genes, drought-response genes, and coexpression clusters. We identify a number of genes whose expression levels are consistent with local adaptation and show that genes involved in stress response show enrichment for selection. Due to its history of intense selective breeding and domestication, maize evolution has long been of interest to researchers, and our study provides insight into the genes and processes important for in local adaptation of maize.
Reference genome assembly for AustralianAscochyta lentisisolate Al4
Authors: Lee Robert C , Farfan-Caceres Lina , Debler Johannes W , Williams Angela H , Syme Robert A , Henares Bernadette M
Published: January 2021

Ascochyta lentis causes ascochyta blight in lentil (Lens culinaris Medik.) and yield loss can be as high as 50%. With careful agronomic management practices, fungicide use, and advances in breeding resistant lentil varieties, disease severity and impact to farmers have been largely controlled. However, evidence from major lentil producing countries, Canada and Australia, suggests that A. lentis isolates can change their virulence profile and level of aggressiveness over time and under different selection pressures. In this paper, we describe the first genome assembly for A. lentis for the Australian isolate Al4, through the integration of data from Illumina and PacBio SMRT sequencing. The Al4 reference genome assembly is almost 42 Mb in size and encodes 11,638 predicted genes. The Al4 genome comprises 21 full-length and gapless chromosomal contigs and two partial chromosome contigs each with one telomere. We predicted 31 secondary metabolite clusters, and 38 putative protein effectors, many of which were classified as having an unknown function. Comparison of A. lentis genome features with the recently published reference assembly for closely related A. rabiei show that genome synteny between these species is highly conserved. However, there are several translocations and inversions of genome sequence. The location of secondary metabolite clusters near transposable element and repeat-rich genomic regions was common for A. lentis as has been reported for other fungal plant pathogens.
Neighbor QTL: an interval mapping method for quantitative trait loci underlying plant neighborhood effects
Authors: Sato Yasuhiro , Takeda Kazuya , Nagano Atsushi J
Published: January 2021

Phenotypes of sessile organisms, such as plants, rely not only on their own genotypes but also on those of neighboring individuals. Previously, we incorporated such neighbor effects into a single-marker regression using the Ising model of ferromagnetism. However, little is known regarding how neighbor effects should be incorporated in quantitative trait locus (QTL) mapping. In this study, we propose a new method for interval QTL mapping of neighbor effects, designated “neighbor QTL,” the algorithm of which includes: (1) obtaining conditional self-genotype probabilities with recombination fraction between flanking markers; (2) calculating conditional neighbor genotypic identity using the self-genotype probabilities; and (3) estimating additive and dominance deviations for neighbor effects. Our simulation using F2 and backcross lines showed that the power to detect neighbor effects increased as the effective range decreased. The neighbor QTL was applied to insect herbivory on Col × Kas recombinant inbred lines of Arabidopsis thaliana. Consistent with previous results, the pilot experiment detected a self-QTL effect on the herbivory at the GLABRA1 locus. Regarding neighbor QTL effects on herbivory, we observed a weak QTL on the top of chromosome 4, at which a weak self-bolting QTL was also identified. The neighbor QTL method is available as an R package (https://cran.r-project.org/package=rNeighborQTL), providing a novel tool to investigate neighbor effects in QTL studies.
What to do when the parathyroid gland is not found during a transcervical exploration?
Authors:  Planas Georgina , Trujillo-Reyes Juan Carlos , Guarino Mauro , Martínez-Téllez Elisabeth , Cladellas Esther , Pérez Jose Ignacio , Moral Antonio , Belda José
Published: January 2021

The most frequent cause of suboptimal results in a parathyroid adenoma resection is an ectopic location, mainly in the anterior mediastinum. These cases may not always be resected through a traditional cervical access. We present 2 cases of primary hyperparathyroidism who underwent an unsuccessful bilateral cervical exploration due to parathyroid tissue located inside the thymic gland. A video-assisted thoracoscopic surgery thymectomy with intraoperative determination of blood parathormone levels was performed. A 50% reduction of intraoperatory parathyroid hormone blood from the highest basal level at 5 and 10 min after resection was obtained. Final pathological results showed an intra-thymic parathyroid adenoma in the first patient and an intra-thymic focus of parathyroid hyperplasia in the second patient. In conclusion, video-assisted thoracoscopic surgery thymectomy could be the optimal approach to resect ectopic parathyroid adenomas located in the anterior mediastinum.
Electrical Injuries in Children: A 10-Year Experience at a Tertiary Pediatric Burn Center
Authors: Demir Sabri , Demir Tugba Ornek , Erturk Ahmet , Oztorun Can İhsan , Guney Dogus , Erten Elif Emel , Altinok Metin Kaan , Azili Mujdem Nur , Senel Emrah
Published: January 2021

Electrical injuries comprise 4% of cases but have higher morbidity and mortality. This study aims to share our experiences with pediatric electrical injuries and propose strategies to prevent them. The files of pediatric electrical injuries between 2010 and 2020 were reviewed retrospectively. The following were investigated: age, gender, cause, length of stay in the pediatric burn center, total burned surface area, voltage-type, and surgical procedures performed. The patients from low- and high-voltage groups were compared. Eighty-five patients were treated in the last 10 years. Seventy were males, the mean age was 9.9 years, the average length of stay in pediatric burn center was 18.2 days, and the average total burned surface area was 11.7%. Forty-three patients were injured with high-voltage and 42 with low-voltage electricity. Fasciotomy was performed in 25 patients, grafting in 40 patients, and amputation in 12 patients. The most often amputated limb was the right arm/forearm. Psychiatric disorders developed in 24 patients. One patient died. In conclusion, the incidence of high-voltage electrical injuries increases with age. They are more prevalent in males, more often accompanied by additional trauma, and have higher total burned surface area, surgical procedures are performed more often, and hospitalization times are longer. For prevention, precautions should be taken by governments and families, and education is critical.
Suicidality After Burn Injuries: A Systematic Review
Authors: Lerman Sheera F , Sylvester Scott , Hultman C Scott , Caffrey Julie A
Published: January 2021

Burn survivors may be at increased risk for suicide due to the nature of their injury and psychiatric comorbidities. The purpose of this review is to assess the evidence as to the prevalence of suicidal ideations and behaviors (attempts and completed suicides) in burn survivors as well as evaluate risk and protective factors. PubMed, EMBASE, CINAHL, Cochrane, PsycINFO, and Web Science databases were searched using search terms regarding suicide, suicidality, and burn. Fourteen full-text manuscripts and two published abstracts were included in the review. Overall, burn survivors demonstrate elevated suicidal ideations and a higher lifetime prevalence of suicide attempts compared to the general population. There is mixed evidence as to rates of completed suicide postburn injury, though rates appear to be relatively low. Risk factors include pain at discharge, perceived level of disfigurement, premorbid psychiatric comorbidities, and past suicide attempts. Results of this systematic review shed light on the scarcity of data on rates of suicidality among burn survivors, which is surprising given the multiple risk factors burn survivors possess including chronic pain, sleep disturbances, history of substance abuse, posttraumatic stress disorder, social isolation, and depression which are linked to suicidality in the general population. Suicide risk screening should be included as an integral part of burn survivors’ care, and more research is needed to better understand the magnitude of this phenomenon and offer targeted interventions to vulnerable individuals.