Computational Biology: Development in the Field of Medicine

2021 ◽  
Keyword(s):  
Mathematical Modeling ◽  
Computational Biology ◽  
Social Systems ◽  
Computational Simulation ◽  
Analytical Data ◽  
Theoretical Methods ◽  
Simulation Techniques

Computational biology involves the development and application of analytical-data and theoretical methods, computational simulation techniques, and mathematical modeling to the study of biological, behavioral, ecological, and social systems.

scholarly journals Mathematical modeling and estimation for next wave of COVID-19 in Poland

2021 ◽  
Author(s):  
M. K. Arti ◽  
Antoni Wilinski
Keyword(s):  
Mathematical Modeling ◽  
Gaussian Mixture Model ◽  
Mixture Model ◽  
Analytical Data ◽  
Gaussian Mixture ◽  
Actual Data ◽  
Suitable Model ◽  
Close Match ◽  
Corona Virus

AbstractWe investigate the problem of mathematical modeling of new corona virus (COVID-19) in Poland and tries to predict the upcoming wave. A Gaussian mixture model is proposed to characterize the COVID-19 disease and to predict a new / future wave of COVID-19. This prediction is very much needed to prepare for medical setup and continue with the upcoming program. Specifically, data related to the new confirmed cases of COVID-19 per day are considered, and then we attempt to predict the data and statistical activity. A close match between actual data and analytical data by using the Gaussian mixture model shows that it is a suitable model to present new cases of COVID-19. In addition, it is thought that there are N waves of COVID-19 and that information for each future wave is also present in current and previous waves as well. Using this concept, predictions of a future wave can be made. 

scholarly journals Material Disruption

2021 ◽  
pp. 290-296
Author(s):  
Mary Spyropoulos ◽  
Alisa Andrasek
Keyword(s):  
Architectural Design ◽  
Computational Simulation ◽  
Digital Design ◽  
Full Potential ◽  
Virtual Model ◽  
Construction Simulation ◽  
Material Behaviour ◽  
Simulation Techniques ◽  
The Relationship

AbstractThis paper examines the role of computational simulation of material processes with robotics fabrication, with the intent of examining its implications for architectural design and construction. Simulation techniques have been adopted in the automotive industry amongst others, advancing their design and manufacturing outputs. At present, architecture is yet to explore the full potential of this technology and their techniques. The need for simulation is evident in exploring the behaviours of materials and their relative properties. Currently, there is a distinct disconnect between the virtual model and its fabricated counterpart. Through research in simulation, we can begin to understand and clearly visualize the relationship between material behaviours and properties that can lead to a closer correlation between the digital design and its fabricated outcome. As the first phase of investigation, the material of clay is used due to its volatile qualities embedded within the material behaviour. The input geometry is constrained to rudimentary extruded forms in order to not obscure the behaviour of the material, but rather allow for it to drive the machine-making process.

scholarly journals Modelling Photoionisations in Tautomeric DNA Nucleobase Derivatives 7H-Adenine and 7H-Guanine: Ultrafast Decay and Photostability

Photochem ◽  
2021 ◽  
Vol 1 (2) ◽  
pp. 287-301
Author(s):  
Javier Segarra-Martí ◽  
Sara M. Nouri ◽  
Michael J. Bearpark
Keyword(s):  
Biological Sciences ◽  
Ground State ◽  
Radiation Effects ◽  
Decay Channels ◽  
Theoretical Methods ◽  
Simulation Techniques ◽  
Physical Chemical ◽  
Protection Mechanisms ◽  
Single Path ◽  
Sunlight Radiation

The study of radiation effects in DNA is a multidisciplinary endeavour, connecting the physical, chemical and biological sciences. Despite being mostly filtered by the ozone layer, sunlight radiation is still expected to (photo)ionise DNA in sizeable yields, triggering an electron removal process and the formation of potentially reactive cationic species. In this manuscript, photoionisation decay channels of important DNA tautomeric derivatives, 7H-adenine and 7H-guanine, are characterised with accurate CASSCF/XMS-CASPT2 theoretical methods. These simulation techniques place the onset of ionisation for 7H-adenine and 7H-guanine on average at 8.98 and 8.43 eV, in line with recorded experimental evidence when available. Cationic excited state decays are analysed next, uncovering effective barrierless deactivation routes for both species that are expected to decay to their (cationic) ground state on ultrafast timescales. Conical intersection topographies reveal that these photoionisation processes are facilitated by sloped single-path crossings, known to foster photostability, and which are predicted to enable the (VUV) photo-protection mechanisms present in these DNA tautomeric species.

scholarly journals Mathematical Modeling of Helicopter Dynamics with an External Sling Load

2018 ◽  
Vol 7 (4.38) ◽  
pp. 1112
Author(s):  
Vadim Viktorovich Efimov ◽  
Konstantin Olegovich Chernigin ◽  
Nikolay Ivanovich Nikolaykin ◽  
Vadim Vadimovich Vorob’ev ◽  
Mikhail Semenovich Kublanov
Keyword(s):  
Mathematical Modeling ◽  
Mathematical Model ◽  
Rotational Motion ◽  
Flight Dynamics ◽  
Systems Of Equations ◽  
Coordinate Systems ◽  
Theoretical Methods ◽  
Helicopter Flight

The article shows the urgency of the development of theoretical methods for studying the dynamics of the flight of a helicopter with an external sling load aimed at ensuring the flight operation safety when transporting loads. A mathematical model of the helicopter flight dynamics with an external sling load is described. The assumptions made are indicated. The load coordinate systems are introduced and described. The systems of equations of acting forces and moments are presented, which are derived considering the accelerated movement of the load's slinging point on the helicopter with its translational and rotational motion.   

The Mathematical Modeling and Computational Simulation for Error-Prone PCR

2013 ◽  
pp. 798-804
Author(s):  
Lixin Luo ◽  
Fang Zhu ◽  
Si Deng
Keyword(s):  
Mathematical Modeling ◽  
Enzyme Activity ◽  
Quantitative Analysis ◽  
Industrial Production ◽  
Computational Simulation ◽  
Catalytic Efficiency ◽  
Computational Method ◽  
Mathematical Principle ◽  
Replication Process ◽  
Modelling Error

Many enzymes have been widely used in industrial production, for they have higher catalytic efficiency and catalytic specificity than the traditional catalysts. Therefore, the performance of enzymes has attracted wide attention. However, due to various factors, enzymes often cannot show their greatest catalytic efficiency and the strongest catalytic ability in industrial production. In order to improve the enzyme activity and specificity, people become increasingly interested in the transformation and modification of existing enzymes. For the structure modification of proteinase, this chapter introduces a computational method for modelling error-prone PCR. Error-prone PCR is a DNA replication process that intentionally introduces copying errors by imposing mutagenic reaction condition. We then conclude about the mathematical principle of error-prone PCR which may be applied to the quantitative analysis of directed evolution in future studies.

scholarly journals Formation of Nanostructures on the Solid Surface

2021 ◽  
Author(s):  
Alexander V. Vakhrushev
Keyword(s):  
Mathematical Modeling ◽  
Wear Resistance ◽  
Surface Modification ◽  
Solid Surface ◽  
Laser Surface ◽  
Solid Surfaces ◽  
Theoretical Methods ◽  
Nanocomposite Layer ◽  
Comparative Review ◽  
Surface Laser

Forming nanostructures on the solids surface is one of the promising nanotechnological processes. It has been established that changes in the atomic structure of the solid surface due to the nanostructures formation result both in a significant change in various physical properties of the surface, and in an increase in its durability, strength, hardness, wear resistance. There are many different methods for forming nanostructures on solid surfaces: surface modification with nano-elements (nanoparticles, fullerenes and fullerites, graphene and nanotubes), formation of a nanocomposite layer on the surface, forming quantum dots and whiskers on the surface, implanting ions into the solid surface, laser surface treatment and other processes. The above processes are very complex and for their optimization require detailed research both by experimental and theoretical methods of mathematical modeling. The aim of this chapter was to provide a comparative review of different methods of forming nanostructures on the solids surface and mathematical modeling of these processes various aspects.

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