Confined Beryllium atom ground and first excited states electronic structures are calculated by the direct variational method, taking into account the system asymmetric nature of the trial wave function, adding a cutoff function to ensure confinement boundary conditions. The trial wave function is built up from hydrogenic functions, which constitute an adequate basis for energies calculation. Physicochemical properties such as kinetic energy, pressure, and polarizability are also calculated from energy results previously obtained to different confined radii. Using different variational parameters in each hydrogenic function, the energy approximation obtained is improved. Electronic configuration changes as we move toward the strong confinement region (small cavity radii) in function of its atomic number using impenetrable walls, this region was obtained for Z=4. This is a conclusion of this work. Another important result is that this method is computationally simpler and gives values inside the experimental precision. Aforementioned results are compared with other theoretical publications.
Nanodiamonds have been studied for several biomedical applications due to their inherent biocompatibility and low cytotoxicity. Recent investigations have shown perspectives in using fluorescent nanodiamonds as nanothermometers because of their optical properties’ dependence on temperature. Easy and accurate localized temperature sensing is essential in a wide variety of scientific fields. Our work demonstrated how the fluorescence spectrum of high-pressure high-temperature fluorescent nanodiamonds of three different sizes: 35 nm, 70 nm and 100 nm, changes with temperature within an important biological temperature range (25 °C to 60 °C). Taking advantage of this phenomenon, we obtained nanothermic scales (NS) from the zero phonon lines (ZPL) of the NV0 and NV− colour centres. In particular, the 100 nm-sized features the more intense fluorescence spectra whose linear dependence with temperature achieved 0.98 R2 data representation values for both NV0 and NV−. This model predicts temperature for all used nanodiamonds with sensitivities ranging from 5.73% °C−1 to 6.994% °C−1 (NV0) and from 4.14% °C−1 to 6.475% °C−1 (NV−). Furthermore, the non-cytotoxic interaction with HeLa cells tested in our study enables the potential use of fluorescence nanodiamonds to measure temperatures in similar nano and microcellular aqueous environments with a simple spectroscopic setup.
Incubated erythrocytes with and without silver nanoparticles (AgNP) were analyzed by Raman spectroscopy, resulting in two Raman spectra datasets. AgNP were added to red blood cells (RBC) in order to enhance the Raman signals. This technique is known as surface-enhanced Raman scattering (SERS). A comparison was made between the Raman spectra with and without AgNP, to test if the SERS had taken place. Since Raman and SERS spectra are considered to be cumbersome due to the noises presented, we applied denoising criteria for detection and removal of noises like cosmic rays, shot, and fluorescence contribution. After this, the principal component analysis (PCA) was performed, in order to reduce the dimensions of the spectra being studied. Only the main key components necessary for a better interpretation of these spectra were considered. All of those noises had to be removed prior to the statistical analysis, to make sure the analysis was really based on the Raman measurements and not on other effects. As a result, RBC Raman spectra with and without AgNP got denoised, obtaining an improvement in its resolution for a better signal reading and data interpretation. Also, the first principal components (PC) were selected from each dataset under scrutiny, based on the weight of their information and their spectrum readability. In conclusion, we were able to represent the given reference system with a more affordable and smaller dimension in which information loss was minimal.
Previously, we described that Adenine, Thymine, Cytosine, and Guanine nucleobases were superconductors in a quantum superposition of phases on each side of the central hydrogen bond acting as a Josephson Junction. Genomic DNA has two strands wrapped helically around one another, but during transcription, they are separated by the RNA polymerase II to form a molecular condensate called the transcription bubble. Successive steps involve the bubble translocation along the gene body. This work aims to modulate DNA as a combination of n-nonperturbative circuits quantum electrodynamics with nine Radio-Frequency Superconducting Quantum Interference Devices (SQUIDs) inside. A bus can be coupled capacitively to a single-mode microwave resonator. The cavity mode and the bus can mediate long-range, fast interaction between neighboring and distant DNA SQUID qubits. RNA polymerase II produces decoherence during transcription. This enzyme is a multifunctional biomolecular machine working like an artificially engineered device. Phosphorylation catalyzed by protein kinases constitutes the driving force. The coupling between -phosphorylation pulses and any particular SQUID qubit can be obtained selectively via frequency matching.