Ultrafast spectroscopy of C-H vibrations in pathogenic bacteria in 3-μm spectral range

Dynamic optical density spectra were obtained under multipulse excitation of bacterial cultures of S. aureus and P. aeruginosa by 3 μm mid-infrared ultrashort laser pulses, corresponding to the vibrational excitation of the C–H bonds of the bacterial cell. These spectra demonstrated pronounced laser intensity-dependent blue spectral shift, presumably associated with the breaking of hydrogen bonds, which are responsible for the formation of secondary and tertiary protein structures.

Quantum mechanical investigation of N+N2 collision: state-to-state non-reaction and exchange reaction probabilities and rate constants

We present a state-to-state dynamical calculation on the exchange reaction N+N2→N2+N and the non-reaction N+N2→N+N2 based on the potential energy surface published by Mankodi et al. The calculation is performed using the time-independent quantum reaction scattering program. The reactivity of both reaction processes is discussed by reaction properties of vibrational quantum numbers v=0-3 and rotational quantum numbers j=0-32 (such as cumulative reaction probability, state-to-state reaction probabilities, and cross sections of N exchange, state-to-state rate constants for both reactions). The threshold energy of the exchange reaction can decrease with the decrease of vibrational excitation or the increase of rotational excitation. By using the J-shifting approximation, rate constants are reported for both reactions. The comparison of the presented total rate constant of the N+N2 exchange reaction with the previous results shows that the quantum effect is not negligible at low temperatures. For the exchange reaction, the rate constant at 500K decreases by about 10 orders of magnitude when the vibrational level of N2 increases from 0 to 7, indicating that the rate constants are sensitive to the initial vibrational level of N2 at low temperatures. For non-reactive collisions, the rate constants have little effect on the initial ro-vibrational levels of N2 at low temperatures.

Gas-phase Modeling of the Cometary Coma of Interstellar Comet 2I/Borisov

Comet 2I/Borisov is the first interstellar comet observed in the solar system, providing a unique opportunity to understand the physical conditions that prevailed in a distant unknown planetary system. Observations of the comet show that the CO/H2O ratio is higher than that observed in solar system comets at a heliocentric distance r h < 2.5 au. We aim to study the gas-phase coma of comet 2I/Borisov using a multifluid chemical-hydrodynamical model. The gas-phase model includes a host of chemical reactions, with the neutrals, ions, and electrons treated as three separate fluids. Energy exchange between the three fluids due to elastic and inelastic scattering and radiative losses are also considered. Our model results show that in the region of the coma beyond ∼100 km of the nucleus, e−−CO inelastic collisions leading to vibrational excitation of CO causes a loss of energy from the electron fluid. We find a high abundance of CO+ and HCO+ ions, and we show how these two ions affect the creation/destruction rates of other ions such as H2O+, H3O+, N-bearing ions, and large organic ions. We find that the presence of CO leads to a higher abundance of large organic ions and neutrals such as CH 3 OH 2 + , CH 3 OCH 4 + , and CH3OCH3, as compared to a typical H2O-rich solar system comet. We conclude that the presence of a large amount of CO in the coma of comet 2I/Borisov, combined with a low production rate, affects the coma temperature profile and flux of major ionic species significantly.

Electron Scattering Cross-Section Calculations for Atomic and Molecular Iodine

Cross sections for electron scattering from atomic and molecular iodine are calculated based on the R-matrix (close-coupling) method. Elastic and electronic excitation cross sections are presented for both I and I2. The dissociative electron attachment and vibrational excitation cross sections of the iodine molecule are obtained using the local complex potential approximation. Ionization cross sections are also computed for I2 using the BEB model.

Vibrationally excited molecular hydrogen production from the water photochemistry

Vibrationally excited molecular hydrogen has been commonly observed in the dense photo-dominated regions (PDRs). It plays an important role in understanding the chemical evolution in the interstellar medium. Until recently, it was widely accepted that vibrational excitation of interstellar H2 was achieved by shock wave or far-ultraviolet fluorescence pumping. Here we show a further pathway to produce vibrationally excited H2 via the water photochemistry. The results indicate that the H2 fragments identified in the O(1S) + H2(X1Σg+) channel following vacuum ultraviolet (VUV) photodissociation of H2O in the wavelength range of λ = ~100-112 nm are vibrationally excited. In particular, more than 90% of H2(X) fragments populate in a vibrational state v = 3 at λ~112.81 nm. The abundance of water and VUV photons in the interstellar space suggests that the contributions of these vibrationally excited H2 from the water photochemistry could be significant and should be recognized in appropriate interstellar chemistry models.

Numerical Comparison of Transpiration Cooling Designs Using Real Gas Effects and Approximate Gas Model

In the severe high-temperature environment caused by aerodynamic heating, the vibrational excitation, dissociation and ionization of gas may successively occur, which are known as real gas effects. Under the real gas effects, the thermodynamic properties of gas vary drastically and significantly influence the performances of the active thermal protection system of hypersonic vehicles, especially in the case with coolant outflow, for example transpiration cooling. This paper numerically investigates the transpiration cooling performance with the consideration of the interaction between coolant outflow and hypersonic flow under the real gas effects. The mathematical models and coupled numerical strategy are firstly validated by experimental data, then the influences of real gas effects on the transpiration cooling of a wedged leading edge (WLE) are studied under a flight Mach number range from 8 to 12 and a flight height of 40 km. The analysis and discussions of the numerical results reveal some important phenomena and demonstrate the need to consider real gas effects.

Vibrational Excitation Cross-Section by Positron Impact: A Wave-Packet Dynamics Study

The vibrational excitation cross-section of a diatomic molecule by positron impact is obtained using wave-packet propagation techniques. The dynamics study was carried on a two-dimensional potential energy surface, which couples a hydrogenlike harmonic oscillator to a positron via a spherically symmetric correlation polarization potential. The cross-section for the excitation of the first vibrational mode is in good agreement with previous reports. Our model suggests that a positron couples to the target vibration by responding instantly to an interaction potential, which depends on the target vibrational coordinate.

Cross Sections and Rate Coefficients for Vibrational Excitation of H2O by Electron Impact

Cross-sections and thermally averaged rate coefficients for vibration (de-)excitation of a water molecule by electron impact are computed; one and two quanta excitations are considered for all three normal modes. The calculations use a theoretical approach that combines the normal mode approximation for vibrational states of water, a vibrational frame transformation employed to evaluate the scattering matrix for vibrational transitions and the UK molecular R-matrix code. The interval of applicability of the rate coefficients is from 10 to 10,000 K. A comprehensive set of calculations is performed to assess uncertainty of the obtained data. The results should help in modelling non-LTE spectra of water in various astrophysical environments.