Relativistic Ab initio Study On PtF and HePtF

The electronic structures and spectroscopic constants of the first three low-lying electronic states (Omega = 1/2, 3/2, and 5/2) of the linear HePtF complex were investigated by highly accurate relativistic ab initio methods, in which the spin-orbit coupling was taken into account, and compared with the results of PtF. It shows that the complex is significantly different from the typical van der Waals systems because of short He-Pt bond distances (1.80 similar to 1.87 angstrom), large He-Pt stretching frequencies (500 similar to 600 cm(-1)), considerable binding energies (1400 similar to 2500 cm(-1) with corrections), and a small electron transfer from helium (about 0.06). However, the topological analysis of the electron density distribution indicates that there is strong van der Waals interaction in the He-Pt bond instead of weak covalent one.Welch Foundation F-100Chemistr

Get Another Worker? Active Crowdlearning With Sequential Arrivals

Engineering and Applied Science

Algorithms and Models for Genome Biology

New advances in genomic technology make it possible to address some of the most fundamental questions in biology for the first time. They also highlight a need for new approaches to analyze and model massive amounts of complex data. In this thesis, I present six research projects that illustrate the exciting interaction between high-throughput genomic experiments, new machine learning algorithms, and mathematical modeling. This interdisci- plinary approach gives insights into questions ranging from how variations in the epigenome lead to diseases across human populations to how the slime mold finds the shortest path. The algorithms and models developed here are also of interest to the broader machine learning community, and have applications in other domains such as text modeling.Mathematic

Xanthomonas oryzae pv. oryzae TALE proteins recruit OsTFIIAγ1 to compensate for the absence of OsTFIIAγ5 in bacterial blight in rice

Xanthomonas oryzae pv. oryzae (Xoo), the causal agent of bacterial blight (BB) of rice, uses transcription activator-like effectors (TALEs) to interact with the basal transcription factor gamma subunit OsTFIIAγ5 (Xa5) and activates the transcription of host genes. However, how OsTFIIAγ1, the other OsTFIIAγ protein, functions in the presence of TALEs remains unclear. In this study, we show that OsTFIIAγ1 plays a compensatory role in the absence of Xa5. The expression of OsTFIIAγ1, which is activated by TALE PthXo7, increases the expression of host genes targeted by avirulent and virulent TALEs. Defective OsTFIIAγ1 rice lines show reduced expression of the TALE-targeted susceptibility (S) genes, OsSWEET11 and OsSWEET14, which results in increased BB resistance. Selected TALEs (PthXo1, AvrXa7 and AvrXa27) were evaluated for interactions with OsTFIIAγ1, Xa5 and xa5 (naturally occurring mutant form of Xa5) using biomolecular fluorescence complementation (BiFC) and microscale thermophoresis (MST). BiFC and MST demonstrated that the three TALEs bind Xa5 and OsTFIIAγ1 with a stronger affinity than xa5. These results provide insights into the complex roles of OsTFIIAγ1 and OsTFIIAγ5 in TALE-mediated host gene transcription

Focusing light with a metal film coated patchy particle

Microsphere-assisted super-resolution imaging is a promising technique that can significantly enhance the resolution of conventional optical microscopes. The focus of a classical microsphere is called photonic nanojet, which is a symmetric high-intensity electromagnetic field. Recently, patchy microspheres have been reported to have superior imaging performance than pristine microspheres, and coating microspheres with metal films leads to the formation of photonic hooks, which can enhance the imaging contrast of microspheres. Understanding the influence of metal patches on the near-field focusing of patchy particles is important for the rational design of a nanostructured microlens. In this work, we theoretically and experimentally showed that the light waves can be focused and engineered using patchy particles. When coating dielectric particles with Ag films, light beams with a hook-like structure or S-shaped structure can be generated. Simulation results show that the waveguide ability of metal films and the geometric asymmetry of patchy particles cause the formation of S-shaped light beams. Compared with classical photonic hooks, S-shaped photonic hooks have a longer effective length and a smaller beam waist at far-field region. Experiments were also carried out to demonstrate the generation of classical and S-shaped photonic hooks from patchy microspheres