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Nonlinear Phenomena in Complex Systems最新文献

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DFT Simulation of Geometry and Electronic Structure of Fullerenol - Cisplatin Conjugate as Agent of Cancer Therapy 抗癌药物富勒烯醇-顺铂偶联物的几何和电子结构的DFT模拟
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-99-103
A. Pushkarchuk, T. V. Bezyazychnaya, V. Potkin, E. Dikusar, A. Soldatov, S. Kilin, A. Nizovtsev, S. Kutsen, V. Pushkarchuk, Dominik Ludewig Michels, D. Lyakhov, V. Kulchitsky
{"title":"DFT Simulation of Geometry and Electronic Structure of Fullerenol - Cisplatin Conjugate as Agent of Cancer Therapy","authors":"A. Pushkarchuk, T. V. Bezyazychnaya, V. Potkin, E. Dikusar, A. Soldatov, S. Kilin, A. Nizovtsev, S. Kutsen, V. Pushkarchuk, Dominik Ludewig Michels, D. Lyakhov, V. Kulchitsky","doi":"10.33581/1561-4085-2022-25-1-99-103","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-99-103","url":null,"abstract":"Fully optimized structures of the fullerenol (Fl=C60(OH)24) - cisplatin conjugate (Fl + Cis) were obtained using the DFT simulation. The DFT/B3LYP/SV/Lanl2DZ level of theory has been used. From the results of calculation of the structural parameters, it can be concluded, that the interaction of Fl with Cis in vacuum leads to the increase of the Pt-N bond length compared to the result for Cis and decrease of the Pt-Cl bond length. The solvation effect for the Fl + Cis complex leads to the decrease of the Pt-N bond length compared to the result for vacuum and increase of the Pt-Cl bond length compared to the result for vacuum and increase of the Pt-Cl bond length compared to the result for vacuum. From the results of the calculation of structural parameters for the Fl with Cis conjugate, it can be concluded that the Pt-N bond in the aqueous solution is enhanced while the Pt-Cl bond is weakened, which can affect the biological activity of the Cis in this complex. The influence of the localization of HOMO and LUMO orbitals on the biological activity of the conjugate under consideration was analyzed. The paper presents the results of DFT simulation of the atomic and electronic structure of water-soluble cisplatin conjugate derivatives and nanocarbon structures, such as fullerenol Fl, as well as the results of studying the possible mechanisms of their biological activity.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47991102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Patterned Photoalignment-Based One- and Two-Dimensional Liquid Crystal Forked Gratings 基于图样光对准的一、二维液晶叉形光栅
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-73-81
O. S. Kabanova, I. Rushnova, D. Gorbach, E. Melnikova, A. Tolstik
{"title":"Patterned Photoalignment-Based One- and Two-Dimensional Liquid Crystal Forked Gratings","authors":"O. S. Kabanova, I. Rushnova, D. Gorbach, E. Melnikova, A. Tolstik","doi":"10.33581/1561-4085-2022-25-1-73-81","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-73-81","url":null,"abstract":"Based on the technology of patterned photoalignment of polymerizable nematic liquid crystal, one- and two-dimensional fork-dislocation gratings which enable formation of singular light beams (optical vortices) have been fabricated and examined. The proposed approach to the formation of a two-dimensional optical structure presents itself a combination of two one-dimensional gratings with mutually orthogonal orientations of the grooves. Phase structures of the formed singular beams as well as their spatial and polarization characteristics have been studied experimentally. The obtained results offer new potentialities in design of optical devices and systems for transformation of phase and polarization structures of light beams.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46191770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Numerical simulation of Thermomechanical Effects in Absorbing Liquids upon Excitation by Pulsed Laser Radiation 脉冲激光激发液体吸收过程中热机械效应的数值模拟
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-51-57
O. Romanov, V. Plavskiĭ, O. Baum
{"title":"Numerical simulation of Thermomechanical Effects in Absorbing Liquids upon Excitation by Pulsed Laser Radiation","authors":"O. Romanov, V. Plavskiĭ, O. Baum","doi":"10.33581/1561-4085-2022-25-1-51-57","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-51-57","url":null,"abstract":"Using the method of numerically solving the equations of motion of continuous media in the Lagrange form, simulations of the processes of excitation of pulsed acoustic beams during heating of absorbing liquids under an action of pulsed laser radiation has been carried out. The calculation of three-dimensional fields of temperature, pressure, density and velocity under the action of laser pulses with Gaussian spatial profile has been performed.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47889147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Topologically Tuned Obliquity of Klein-Tunnelling Charged Currents Through Graphene Electrostatically-Confined p - n Junctions 通过石墨烯静电约束p - n结的克莱因隧穿带电电流的拓扑调谐倾角
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-21-40
H. Grushevskaya, G. Krylov
{"title":"Topologically Tuned Obliquity of Klein-Tunnelling Charged Currents Through Graphene Electrostatically-Confined p - n Junctions","authors":"H. Grushevskaya, G. Krylov","doi":"10.33581/1561-4085-2022-25-1-21-40","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-21-40","url":null,"abstract":"Problem of control over Klein-tunnelling states from electrostatically-confined graphene p - n junctions has been discussed. The lack of quasi-bound states, being the states with a finite life time, in a pseudo-Dirac-fermion model for the graphene quantum dot (GQD) is theoretically predicted as inapplicability of the so-called \"resonance condition\" leading to an inconsistent linear system corresponding to matching conditions. Within a pseudo-Dirac-Weyl fermion model GQD, the graphene charge carriers are topologically nontrivial and can be confined by a staircase-type potential due to competition between Zak curvature and centrifugal-force actions. The predicted topological effects elucidate experimentally observed resonances created by electron beam and laser pulse in crystalline arrays of single-walled carbon nanotubes as the Klein-tunnelling resonant states in the p - n graphene junctions. We present a robust approach to fabricate stable graphene p - n junctions by fine-tuning the topological effects.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49270218","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Linear Skorokhod SDE: Evaluation of Expectations of Functionals 线性Skorokhod SDE：函数期望值的评估
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-82-91
A. Egorov, A. Zherelo
{"title":"Linear Skorokhod SDE: Evaluation of Expectations of Functionals","authors":"A. Egorov, A. Zherelo","doi":"10.33581/1561-4085-2022-25-1-82-91","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-82-91","url":null,"abstract":"This paper considers a linear stochastic differential equation (SDE) containing the Skorokhod integral. A formula for the approximate calculation of functionals of solutions of this equation is constructed, which is approximately exact for polynomials of the third order.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42609097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
DFT Simulation of Cortisone-Fullerenol Agents in the Therapy of Oncological Diseases 皮质醇-富勒烯醇药物治疗肿瘤疾病的DFT模拟
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-92-98
E. Dikusar, A. Pushkarchuk, T. V. Bezyazychnaya, E. A. Akishina, V. Potkin, A. Soldatov, S. Kutsen, S. Stepin, A. Nizovtsev, S. Kilin, L. F. Babichev
{"title":"DFT Simulation of Cortisone-Fullerenol Agents in the Therapy of Oncological Diseases","authors":"E. Dikusar, A. Pushkarchuk, T. V. Bezyazychnaya, E. A. Akishina, V. Potkin, A. Soldatov, S. Kutsen, S. Stepin, A. Nizovtsev, S. Kilin, L. F. Babichev","doi":"10.33581/1561-4085-2022-25-1-92-98","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-92-98","url":null,"abstract":"In order to therapeutically destroy oncological neoplasms chemotherapy or radiotherapy is usually applied, and in isotope medicine short-lived radionuclides are injected into the tumor (59Fe, 90Y, 95Zr, 99mTc, 106Ru, 114mIn, 147;148;155Eu, 170Tm, 188Re, 210Po, 222Rn, 230U, 237Pu, 240;241Cm, 253Es). Binary (or neutron-capture) is a technology developed for a selective effect on malignant neoplasms and using drugs tropic to tumors containing nonradioactive nuclides (10B, 113Cd, 157Gd etc.). Triadic is the sequential introduction into the body of a combination of two or more separately inactive and harmless components, tropic to tumor tissues and capable of selectively accumulating in them or entering into chemical interaction with each other and destroying tumor neoplasms under the influence of certain sensitizing external influences. The aim of this work is quantum-chemical simulation of the electronic structure and analysis of the thermodynamic stability of new cortisone-fullerenol agents for the treatment of tumor neoplasms. The need for preliminary studies of modeling such objects is due to the very high labor intensity, cost and complexity of their practical production.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44572751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modeling the Jump-like Diffusion Motion of a Brownian Motor by a Game- Theory Approach: Deterministic and Stochastic Models 用博弈论方法模拟布朗电机的跳跃扩散运动:确定性和随机模型
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-41-50
A. D. Terets, T. Korochkova, V. A. Mashira, V. M. Rozenbaum, I. V. Shapochkina, L. Trakhtenberg
{"title":"Modeling the Jump-like Diffusion Motion of a Brownian Motor by a Game- Theory Approach: Deterministic and Stochastic Models","authors":"A. D. Terets, T. Korochkova, V. A. Mashira, V. M. Rozenbaum, I. V. Shapochkina, L. Trakhtenberg","doi":"10.33581/1561-4085-2022-25-1-41-50","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-41-50","url":null,"abstract":"Methods of paradoxical games are used to construct a stochastic hopping model of Brownian ratchets which extends the well-known analogous deterministic model. The dependencies of the average displacements of a Brownian particle in a stochastic ratchet system on a discrete time parameter are calculated, as well as the dependencies of the average ratchet velocity on the average lifetimes of the states of the governing dichotomous process. The results obtained are compared with both the results of modeling a similar deterministic model and the results of a known analytic description. While for the hopping analogue of the deterministic on-off ratchet, the time dependence of the displacement contains periodically repeated hopping changes when the potential is switched on and plateau of the diffusion stage of the motion when it is switched off, the stochastic dependencies, that are of an averaged character, are monotonous and do not contain jumps. It is shown that, with other things being equal, the difference in the results for the hopping ratchet model driven by the stochastic and deterministic dichotomous process of switching the potential profiles (game selection) is more pronounced at short lifetimes of the dichotomous states and vanishes with their increase.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43561248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Relationship Between the Rate of Photochemical Metal-Assisted Etching of GaN Layers and Multifractal Parameters of Their Surface Structure 金属光化学辅助刻蚀GaN层速率与表面结构多重分形参数的关系
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-13-20
D. Mokhov, T. N. Berezovskaya, A. Mizerov, K. Shubina, A. A. Kolmakova, A. Kolmakov, M. Kheifetz
{"title":"Relationship Between the Rate of Photochemical Metal-Assisted Etching of GaN Layers and Multifractal Parameters of Their Surface Structure","authors":"D. Mokhov, T. N. Berezovskaya, A. Mizerov, K. Shubina, A. A. Kolmakova, A. Kolmakov, M. Kheifetz","doi":"10.33581/1561-4085-2022-25-1-13-20","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-13-20","url":null,"abstract":"The results of a study of liquid photochemical metal-assisted etching of a series of samples of n-type Ga-polar GaN layers grown by molecular-beam epitaxy with nitrogen plasma activation are presented. Under the chosen conditions of the etching process, it is shown that the etching rate depends mainly on the structural properties of the GaN layers, which manifest themselves in the surface morphology, which can be quantitatively characterized by the multifractal parameters Δq (the degree of ordering and symmetry breaking of the structure under study) and Dq (the Rényi dimension, which depends on the thermodynamic formation conditions). A correlation between the values of the multifractal parameters Δq and Dq of the surface structure and the etching rate of Ga-polar GaN layers is established.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48939834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Quasi-Normal Form for a Ring Model of Pump-Coupled Lasers 泵耦合激光器环模型的拟正规形式
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-58-66
E. Grigorieva, S. Kaschenko
{"title":"Quasi-Normal Form for a Ring Model of Pump-Coupled Lasers","authors":"E. Grigorieva, S. Kaschenko","doi":"10.33581/1561-4085-2022-25-1-58-66","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-58-66","url":null,"abstract":"We study the dynamics of the closed chain of a large number of coupled lasers. The coupling between elements is supposed to be unidirectional. The distributed integro-differential model is proposed which takes into account the delay due to the optoelectronic conversion of signals. The bifurcation value of the coupling coefficient is obtained, at which the stationary state of elements in the chain becomes unstable. It is shown that the critical case has infinite dimension if the number of elements in the chain tends to infinity. A two-dimensional complex Ginzburg-Landau equation with convection is obtained as a quasi-normal form. We get the homogeneous periodic solutions of the quasi-normal which correspond to inhomogeneous traveling waves in a distributed model. Such solutions can be interpreted as phase-synchronized regimes in the chain of coupled lasers.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49258790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Magnetic Effect on the Rotation Frequency of a Neutron Star: An Intrinsically Nonlinear Effect 中子星自转频率的磁效应：一种本质非线性效应
IF 0.4
Nonlinear Phenomena in Complex Systems Pub Date : 2022-03-31 DOI: 10.33581/1561-4085-2022-25-1-67-72
M. Faehnle, G. Wunner
{"title":"Magnetic Effect on the Rotation Frequency of a Neutron Star: An Intrinsically Nonlinear Effect","authors":"M. Faehnle, G. Wunner","doi":"10.33581/1561-4085-2022-25-1-67-72","DOIUrl":"https://doi.org/10.33581/1561-4085-2022-25-1-67-72","url":null,"abstract":"A neutron star contains regions with particles which exhibit magnetic moments, which, in turn, generate respective magnetizations. By magnetoelastic interactions between the magnetization and the matter there arises a magnetostriction. The magnetostriction changes the mass density of the neutron star and hence its inertia tensor, and as a result it changes the rotation frequency of the star. It is shown that the effect depends in a distinctly nonlinear way on the magnetization of the neutron star. We also sketch how the calculation of the magnetostriction in the different inner regions of the neutron star has to proceed, and which parameter inputs are needed.","PeriodicalId":43601,"journal":{"name":"Nonlinear Phenomena in Complex Systems","volume":" ","pages":""},"PeriodicalIF":0.4,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43630701","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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