Highly sensitive standoff detection of explosives via backward coherent anti-Stokes Raman scattering

The detection of particles of explosives and related compounds by coherent anti-Stokes Raman scattering (B-CARS) was studied in detail. The B-CARS signal intensity was compared to that of spontaneous Raman scattering and its dependence on the distance between the sample and the detection system was found. Our measurements imply that B-CARS allows favorable detection as compared to Raman. It is estimated that for pulse energies of 10 mJ of the pump and Stokes laser beams, detection of trace amounts of samples from distances of ～10 to 200 m might be possible applying B-CARS, depending on the species.     

Vibrational structure and methyl C-H dynamics in propyne

Our previous study [J. Chem. Phys. 122, 224316 (2005)] presented the photoacoustic and action spectra of the V=2, 3, 4, and 5 manifolds of the C-H methyl stretching vibrations of propyne and their analysis in terms of a simplified joint local mode/normal mode model. In the current paper the C-H transition intensities were calculated using B3LYP6-311++G(d,p) level of theory to obtain the dipole moment functions. The diagonalization of the vibrational Hamiltonian revealed new model parameters obtained by least square fitting of the eigenvalues to the action spectra band origins, while examining the correspondence between the calculated intensities and simulated band areas. The newly derived parameters predict well the band positions and the observed intensities, allowing new assignment of the features. The derived Hamiltonian was also used to obtain the overall temporal behavior of the C-H stretches as a result of the Fermi couplings and interactions with the bath states. These results indicate that any specificity attained by suitable excitation of the methyl C-H stretches is lost on picosecond time scale, primarily due to strong interactions with doorway states in the lower overtone and coupling with bath states in the region of the higher ones.     

Mode-dependent enhancement of photodissociation and photoionization in a seven atom molecule

We report the first experimental demonstration of vibrational mode-dependent enhancement in photodissociation and photoionization of a seven atom molecule, methylamine (CH(3)NH(2)). The fundamental C-H stretches and the overtones or combinations of CH(3) bends were prepared via stimulated Raman excitation (SRE) prior to their 243.135 nm one-photon dissociation or two-photon ionization. The photodissociation or photoionization of the vibrationally excited molecules was achieved via 10 ns delayed or temporally overlapping SRE and UV pulses, respectively. It is shown that bending modes are more effective than stretches in promoting photodissociation and photoionization, since their UV excitation is favored by larger Franck Condon factors. This behavior provides clear evidence for vibrational mode-dependence in a relatively large molecule with a torsional degree of freedom, indicating that these modes survive intramolecular vibrational redistribution on a time scale considerably longer than hitherto inferred from previous studies.     

Translational and rotational pupil tracking by use of wavefront aberration data and image registration techniques

We present a methodology with which to evaluate translations and rotations of wavefront aberration measurements of systems in which the exit pupil suffers displacements and rotations with respect to the reference frame of the measuring device. We propose to use image registration techniques to account for rotations, translations, and scale changes of the pupil. We present a proof of principle, using an artificial eye in addition to computer simulations. The method is software based and requires no additional hardware.     

From big data to important information

Advances in science are being sought in newly available opportunities to collect massive quantities of data about complex systems. While key advances are being made in detailed mapping of systems, how to relate these data to solving many of the challenges facing humanity is unclear. The questions we often wish to address require identifying the impact of interventions on the system and that impact is not apparent in the detailed data that is available. Here, we review key concepts and motivate a general framework for building larger scale views of complex systems and for characterizing the importance of information in physical, biological, and social systems. We provide examples of its application to evolutionary biology with relevance to ecology, biodiversity, pandemics, and human lifespan, and in the context of social systems with relevance to ethnic violence, global food prices, and stock market panic. Framing scientific inquiry as an effort to determine what is important and unimportant is a means for advancing our understanding and addressing many practical concerns, such as economic development or treating disease. © 2016 Wiley Periodicals, Inc. Complexity 21: 73–98, 2016     

Assessment of Oxidative Stress in Patients with an Isolated Traumatic Brain Injury Using Disposable Electrochemical Test Strips

The barriers to using plasma redox potential as a measure of oxidative stress in patients are the use of specialized equipment, necessity of sterilization between tests, and inconsistent electrode surfaces and cell geometry. These problems are resolved using disposable test strips with built in electrochemical cells. Measuring the electrode potential at a small current yields a stable value that is ～50 mV higher for isolated traumatic brain injury (ITBI) patients than for healthy individuals. Even with natural variations within blood chemistry, this simple method may be clinically useful for assessing the degree of oxidative stress and injury severity in ITBI patients.     

Closed-loop adaptive optics with a single element for wavefront sensing and correction

We propose a closed-loop adaptive optical arrangement based on a single spatial light modulator that simultaneously works as a correction unit and as the key element of a wavefront sensor. This is possible by using a liquid crystal on silicon display whose active area is divided into two halves that are respectively programmed for sensing and correction. We analyze the performance of this architecture to implement an adaptive optical system. Results showing a closed-loop operation are reported, as well as a proof of concept for dealing with aberrations comparable to those typically found in human eyes.     

In situ Generation of Superoxide Anion Radical in Aqueous Medium under Ambient Conditions

In the recent decades superoxide [O^2?.] has become the subject of considerable interest. Nonetheless, generation of superoxide compounds is still a substantial challenge. The standard methods for synthesis of superoxide derivatives are either through the oxidation of molten alkali metals with hot air or by using electrolytic reduction of oxygen in aprotic solvent such as dimethylformamide. No methodology is available for the generation of superoxides in protic solutions and particularly not in water. We propose a new in situ method for alkali superoxide preparation by using sodium hydroxide and hydrogen peroxide at room temperature and in aqueous solution.