Development of an Electron Scattering Model to Detect Differences in DNA Base Molecules

Author(s):  
Yuki Nishioka ◽  
Kentaro Doi ◽  
Satoyuki Kawano

In recent, novel technologies which apply bio-macromolecules to bio-nanodevices attract much attention. Particularly, DNAs have several desirable characteristics: complementary base pairs, self assembly, and electric conductivity. It is expected that high-speed DNA sequencers can be developed by using these specific characteristics of DNAs. In the present study, we develop a theoretical model to analyze the difference of DNA base molecules, in which electron scattering is simulated based on classical electrodynamics and scattering angles are evaluated. Consequently, it is found that scattering angles of the scattered electrons are clearly different from each other.

2020 ◽  
Vol 68 (4) ◽  
pp. 303-314
Author(s):  
Yuna Park ◽  
Hyo-In Koh ◽  
University of Science and Technology, Transpo ◽  
University of Science and Technology, Transpo ◽  
University of Science and Technology, Transpo ◽  
...  

Railway noise is calculated to predict the impact of new or reconstructed railway tracks on nearby residential areas. The results are used to prepare adequate counter- measures, and the calculation results are directly related to the cost of the action plans. The calculated values were used to produce noise maps for each area of inter- est. The Schall 03 2012 is one of the most frequently used methods for the production of noise maps. The latest version was released in 2012 and uses various input para- meters associated with the latest rail vehicles and track systems in Germany. This version has not been sufficiently used in South Korea, and there is a lack of standard guidelines and a precise manual for Korean railway systems. Thus, it is not clear what input parameters will match specific local cases. This study investigates the modeling procedure for Korean railway systems and the differences between calcu- lated railway sound levels and measured values obtained using the Schall 03 2012 model. Depending on the location of sound receivers, the difference between the cal- culated and measured values was within approximately 4 dB for various train types. In the case of high-speed trains, the value was approximately 7 dB. A noise-reducing measure was also modeled. The noise reduction effect of a low-height noise barrier system was predicted and evaluated for operating railway sites within the frame- work of a national research project in Korea. The comparison of calculated and measured values showed differences within 2.5 dB.


2020 ◽  
Vol 17 (2) ◽  
pp. 124-137 ◽  
Author(s):  
Adel Mahmoud Attia ◽  
Ahmed Ibrahin Khodair ◽  
Eman Abdelnasser Gendy ◽  
Mohammed Abu El-Magd ◽  
Yaseen Ali Mosa Mohamed Elshaier

Background:Perturbation of nucleic acids structures and confirmation by small molecules through intercalation binding is an intriguing application in anticancer therapy. The planar aromatic moiety of anticancer agents was inserted between DNA base pairs leading to change in the DNA structure and subsequent functional arrest.Objective:The final scaffold of the target compounds was annulated and linked to a benzotriazole ring. These new pharmacophoric features were examined as antiviral and anticancer agents against MCF7 and their effect on DNA damage was also assessed.Methods:A new series of fully substituted 2-oxopyridine/2-thioxopyridine derivatives tethered to a benzotriazole moiety (4a-h) was synthesized through Michael cyclization of synthesized α,β- unsaturated compounds (3a-e) with appropriate active methylene derivatives. The DNA damage study was assessed by comet assay. In silico DNA molecular docking was performed using Open Eye software to corroborate the experimental results and to understand molecule interaction at the atomic level.Results:The highest DNA damage was observed in Doxorubicin, followed by 4h, then, 4b, 4g, 4f, 4e, and 4d. The docking study showed that compound 4h formed Hydrogen Bonds (HBs) as a standard ligand with GSK-3. Compound 4h was the most active compound against rotavirus Wa, HAVHM175, and HSV strains with a reduction of 30%, 40%, and 70%, respectively.Conclusion:Compound 4h was the most active compound and could act as a prospective lead molecule for anticancer agent.


1988 ◽  
Vol 53 (9) ◽  
pp. 1943-1945
Author(s):  
Pavel Hobza ◽  
Camille Sandorfy

The interaction of the 6-O methylguanine cation with cytosine and thymine was studied using the ab initio SCF method in combination with a London type expression for dispersion energy. The structure of the complex formed with cytosine differs from that found previously with guanine itself.


2021 ◽  
Vol 13 (11) ◽  
pp. 6482
Author(s):  
Sergejus Lebedevas ◽  
Laurencas Raslavičius

A study conducted on the high-speed diesel engine (bore/stroke: 79.5/95.5 mm; 66 kW) running with microalgae oil (MAO100) and diesel fuel (D100) showed that, based on Wibe parameters (m and φz), the difference in numerical values of combustion characteristics was ~10% and, in turn, resulted in close energy efficiency indicators (ηi) for both fuels and the possibility to enhance the NOx-smoke opacity trade-off. A comparative analysis by mathematical modeling of energy and traction characteristics for the universal multi-purpose diesel engine CAT 3512B HB-SC (1200 kW, 1800 min−1) confirmed the earlier assumption: at the regimes of external speed characteristics, the difference in Pme and ηi for MAO100 and D100 did not exceeded 0.7–2.0% and 2–4%, respectively. With the refinement and development of the interim concept, the model led to the prognostic evaluation of the suitability of MAO100 as fuel for the FPT Industrial Cursor 13 engine (353 kW, 6-cylinders, common-rail) family. For the selected value of the indicated efficiency ηi = 0.48–0.49, two different combinations of φz and m parameters (φz = 60–70 degCA, m = 0.5 and φz = 60 degCA, m = 1) may be practically realized to achieve the desirable level of maximum combustion pressure Pmax = 130–150 bar (at α~2.0). When switching from diesel to MAO100, it is expected that the ηi will drop by 2–3%, however, an existing reserve in Pmax that comprises 5–7% will open up room for further optimization of energy efficiency and emission indicators.


Water ◽  
2020 ◽  
Vol 13 (1) ◽  
pp. 52
Author(s):  
Xiang He ◽  
Sijia Wang ◽  
Bingjian Zhang

Dew is a common but important phenomenon. Though water is previously considered to be a threat to earthen heritage sites, artificial dew is showing potential in relic preservation. A model of dew prediction on earthen sites will be essential for developing preventive protection methods, but studies of dew formation processes on relics are limited. In this study, a two parameter model is proposed. It makes approximations according to the features of earthen heritage sites, assuming that a thin and steady air layer exists close to the air–solid interface. This semi-theoretical model was based on calculations of the mass transfer process in the air layer, and was validated by simulations of laboratory experiments (R > 0.9) as well as field experiments. Additionally, a numerical simulation, performed by the commercial software COMSOL, confirmed that the difference between fitting parameter δ and the thickness of assumed mass transfer field was not significant. This model will be helpful in developing automatic environmental control systems for stabilizing water and soluble salts, thus enhancing preventive protection of earthen heritage sites.


2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Demissie Jobir Gelmecha ◽  
Ram Sewak Singh

AbstractIn this paper, the rigorous derivations of generalized coupled chiral nonlinear Schrödinger equations (CCNLSEs) and their modulation instability analysis have been explored theoretically and computationally. With the consideration of Maxwell’s equations and Post’s constitutive relations, a generalized CCNLSE has been derived, which describes the evolution of left-handed circularly polarized (LCP) and right-handed circularly polarized (RCP) components propagating through single-core nonlinear chiral fiber. The analysis of modulation instability in nonlinear chiral fiber has been investigated starting from CCNLSEs. Based on a theoretical model and numerical simulations, the difference on the modulation instability gain spectrum in LCP and RCP components through chiral fiber has been analyzed by considering loss and chirality into account. The obtained simulation results have shown that the loss distorts the sidebands of the modulation instability gain spectrum, while chirality modulates the gain for LCP and RCP components in a different manner. This suggests that adjusting chirality strength may control the loss, and nonlinearity simultaneously provides stable modulated pulse propagation.


MRS Advances ◽  
2020 ◽  
Vol 5 (16) ◽  
pp. 815-823
Author(s):  
Ian Sands ◽  
Jinhyung Lee ◽  
Wuxia Zhang ◽  
Yupeng Chen

AbstractRNA delivery into deep tissues with dense extracellular matrix (ECM) has been challenging. For example, cartilage is a major barrier for RNA and drug delivery due to its avascular structure, low cell density and strong negative surface charge. Cartilage ECM is comprised of collagens, proteoglycans, and various other noncollagneous proteins with a spacing of 20nm. Conventional nanoparticles are usually spherical with a diameter larger than 50-60nm (after cargo loading). Therefore, they presented limited success for RNA delivery into cartilage. Here, we developed Janus base nanotubes (JBNTs, self-assembled nanotubes inspired from DNA base pairs) to assemble with small RNAs to form nano-rod delivery vehicles (termed as “Nanopieces”). Nanopieces have a diameter of ∼20nm (smallest delivery vehicles after cargo loading) and a length of ∼100nm. They present a novel breakthrough in ECM penetration due to the reduced size and adjustable characteristics to encourage ECM and intracellular penetration.


2020 ◽  
Vol 56 (2) ◽  
pp. 201-204 ◽  
Author(s):  
Kinga E. Szkaradek ◽  
Petr Stadlbauer ◽  
Jiří Šponer ◽  
Robert W. Góra ◽  
Rafał Szabla

Formation of an excited-state complex enables ultrafast photorelaxation of dark nπ* states in GC and HC base pairs.


2012 ◽  
Vol 262 ◽  
pp. 361-366
Author(s):  
Zhuo Fei Xu ◽  
Hai Yan Zhang ◽  
Ling Hui Ren

Roller-mark is a common problem in offset printing and its solution method is important for printing. A new detecting method of texture analysis was given in this paper. In this study, printing image was acquired with high-speed CCD. Compared the difference between printing image and standard image, a defective image was obtained. Then the reason of roller-marks was given by the texture recognition of defect image. Finally, experiments were taken to prove the feasibility and effectiveness of this new method for the roller-marks diagnosis in the offset printing machine.


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