Success probability for selectively neutral invading species in the line model with a random fitness landscape

We consider a spatial (line) model for invasion of a population by a single mutant with a stochastically selectively neutral fitness landscape, independent from the fitness landscape for non-mutants. This model is similar to those considered in Farhang-Sardroodi et al. [PLOS Comput. Biol., 13(11), 2017; J. R. Soc. Interface, 16(157), 2019]. We show that the probability of mutant fixation in a population of size $N$, starting from a single mutant, is greater than $1/N$, which would be the case if there were no variation in fitness whatsoever. In the small variation regime, we recover precise asymptotics for the success probability of the mutant. This demonstrates that the introduction of randomness provides an advantage to minority mutations in this model, and shows that the advantage increases with the system size. We further demonstrate that the mutants have an advantage in this setting only because they are better at exploiting unusually favorable environments when they arise, and not because they are any better at exploiting pockets of favorability in an environment that is selectively neutral overall.Comment: 25 pages, 4 figure

A highly specific heterostructure composed of N-doped TiO2 anatase nanoparticles and double layer Au for detection of thiophene molecule: A DFT study

The adsorption of thiophene molecule on the pristine, N-doped and Cu/N codoped TiO2-supported Au overlayers has been studied using density functional theory calculations, taking into consideration the effects of van der Waals interaction. Thiophene molecule can be adsorbed on both the Au and five-fold coordinated titanium sites of TiO2 supported Au overlayers. Various adsorption configurations of thiophene over the considered TiO2 supported Au overlayers are discussed. It is found that with Cu/N codoped nanoparticle as an adsorbent, the adsorption configuration is more stable and consequently the adsorption process is more energetically favorable. The adsorption of thiophene molecule on the N-doped TiO2 supported Au overlayers is more energetically favorable than the adsorption on the undoped ones. On the Cu/N codoped nanoparticle, the adsorption process is more strongly favored. Thus, Cu/N-codoped system can interact with thiophene molecule more efficiently. The considerable overlaps between the PDOSs of the sulfur and titanium atoms indicate chemical bond forms between these two atoms. These chemical bonds confirm chemisorption of thiophene on the TiO2 supported Au overlayers. After the adsorption process, the HOMOs are mainly distributed over the adsorbed thiophene molecule. The charge analysis based on Mulliken charges reveals that charge is transferred from the thiophene molecule to the TiO2 supported Au. This study not only suggests a theoretical basis for adsorption behaviors of thiophene on the TiO2-supported Au overlayers, but also provides an efficient strategy to design and improve highly efficient sensor devices for thiophene detection

The Comparison of Self Concept and Compatibility among Single and Divorced Women in Bandar Abbas

ABSTRACT This is a comparative study that aims at comparing the extent of self-concept and compatibility among single and divorced women in Bandar Abbas (Mostly between 25 to 35 years old). According to this research, the method used is descriptive and of causalcomparative. The study population included all single girls over 25 years, living in the city of Bandar Abbas. All divorced women had their divorce decree issued 12 month before the study. The study samples included 130 people who responded to Roger's Self-Concept and Bell's Compatibility questionnaire. The data for this study were analysed using SPSS software. Results from data analysis showed that self-concept of divorcees and singles is not much different. The results also showed that the compatibility of divorced and single individuals is not the same and also reveals that the compatibility of single girls is more than divorced women. It can be concluded that the "compatibility variable" has little predictive power compared to "self-concept variable"

A highly specific heterostructure composed of N-doped TiO₂ anatase nanoparticles and double layer Au for detection of thiophene molecule: A DFT study

34-43The adsorption of thiophene molecule on the pristine, N-doped and Cu/N codoped TiO2-supported Au overlayers has been studied using density functional theory calculations, taking into consideration the effects of van der Waals interaction. Thiophene molecule can be adsorbed on both the Au and five-fold coordinated titanium sites of TiO2 supported Au overlayers. Various adsorption configurations of thiophene over the considered TiO2 supported Au overlayers are discussed. It is found that with Cu/N codoped nanoparticle as an adsorbent, the adsorption configuration is more stable and consequently the adsorption process is more energetically favorable. The adsorption of thiophene molecule on the N-doped TiO2 supported Au overlayers is more energetically favorable than the adsorption on the undoped ones. On the Cu/N codoped nanoparticle, the adsorption process is more strongly favored. Thus, Cu/N-codoped system can interact with thiophene molecule more efficiently. The considerable overlaps between the PDOSs of the sulfur and titanium atoms indicate chemical bond forms between these two atoms. These chemical bonds confirm chemisorption of thiophene on the TiO2 supported Au overlayers. After the adsorption process, the HOMOs are mainly distributed over the adsorbed thiophene molecule. The charge analysis based on Mulliken charges reveals that charge is transferred from the thiophene molecule to the TiO2 supported Au. This study not only suggests a theoretical basis for adsorption behaviors of thiophene on the TiO2-supported Au overlayers, but also provides an efficient strategy to design and improve highly efficient sensor devices for thiophene detection

A theoretical investigation of the interaction of Immucillin-A with N-doped TiO2 anatase nanoparticles: Applications to nanobiosensors and nanocarriers

Objective(s): Adsorption of IMMUCILLIN-A (BCX4430) molecule on the pristine and N-doped TiO2 anatase nanoparticles were studied using the density functional theory (DFT) calculations. The adsorption energy analysis indicated that TiO2+IMMUCILLIN-A complexes including OC-substituted TiO2 have higher adsorption energy than the complexes with OT substituted TiO2, thus providing more stable configurations. Methods: The structural properties including bond lengths, adsorption energies and bond angles were analysed. The electronic structure of the adsorption system were investigated in view of the density of states, molecular orbitals and Mulliken charge analysis.Results: The results show that, the interaction of IMMUCILLIN-A drug with N-doped TiO2 nanoparticles is more energetically favorable than the interaction with the pristine ones, suggesting that the N-doped nanoparticles can react with IMMUCILLIN-A drug more efficiently. The Mulliken charge analysis also suggests a charge transfer from IMMUCILLIN-A molecule to the TiO2 nanoparticle.Conclusions: Based on obtained results, it can be concluded that the N-doped TiO2 nanoparticle could be utilized as an efficient candidate for application as highly sensitive nanobiosensors and efficient nanocarriers for IMMUCILLIN-A drugs