Raman and FTIR spectra of [Cu(H2O)6](BrO3)2 and [Al(H2O)6](BrO3)3 · 3H2O

Raman and FTIR spectra of [Cu(H2O)6](BrO3)2 and [Al(H2O)6](BrO3)3 · 3H2O are recorded and analyzed. The observed bands are assigned on the basis of BrO3 − and H2O vibrations. Additional bands obtained in the region of 3 and 1 modes in [Cu(H2O)6](BrO3)2 are due to the lifting of degeneracy of 3 modes, since the BrO3 − ion occupies a site of lower symmetry. The appearance 1 mode of BrO3 − anion at a lower wavenumber (771 cm−1) is attributed to the attachment of hydrogen to the BrO3 − anion. The presence of three inequivalent bromate groups in the [Al(H2O)6](BrO3)3 · 3H2O structure is confirmed. The lifting of degeneracy of 4 mode indicates that the symmetry of BrO3 − anion is lowered in the above crystal from C3v to C1. The appearance of additional bands in the stretching and bonding mode regions of water indicates the presence of hydrogen bonds of different strengths in both the crystals. Temperature dependent Raman spectra of single crystal [Cu(H2O)6](BrO3)2 are recorded in the range 77–523 K for various temperatures. A small structural rearrangement takes place in BrO3 − ion in the crystal at 391 K. Hydrogen bounds in the crystal are rearranging themselves leading to the loss of one water molecule at 485 K. This is preceded by the reorientation of BrO3 − ions causing a phase transition at 447 K. Changes in intensities and wavenumbers of the bands and the narrowing down of the bands at 77 K are attributed to the settling down of protons into ordered positions in the crystal

Temperature dependent polarized Raman spectra of nonaaqualanthanoid (Pr) single crystal

Polarized Raman spectral changes with respect to temperature were investigated for Pr(BrO3)3·9H2O single crystals. FTIR spectra of hydrated and deuterated analogues were also recorded and analysed. Temperature dependent Raman spectral variation have been explained with the help of the thermograms recorded for the crystal. Factor group analysis could propose the appearance ofBrO3 ions at sites corresponding to C3v (4) and D3h (2). Analysis of the vibrational bands at room temperature confirms a distorted C3v symmetry for the BrO3 ion in the crystal. From the vibrations of water molecules, hydrogen bonds of varying strengths have also been identified in the crystal. The appearance υ1 mode of BrO3− anion at lower wavenumber region is attributed to the attachment of hydrogen atoms to the BrO3− anion. At high temperatures, structural rearrangement is taking place for bothH2Omolecule and BrO3 ions leading to the loss ofwater molecules and structural reorientation of bromate ions causing phase transition of the crystal at the temperature of 447 K.

Single Frame Image Super Resolution Using Learned Directionlets

In this paper, a new directionally adaptive, learning based, single image super resolution method using multiple direction wavelet transform, called Directionlets is presented. This method uses directionlets to effectively capture directional features and to extract edge information along different directions of a set of available high resolution images .This information is used as the training set for super resolving a low resolution input image and the Directionlet coefficients at finer scales of its high-resolution image are learned locally from this training set and the inverse Directionlet transform recovers the super-resolved high resolution image. The simulation results showed that the proposed approach outperforms standard interpolation techniques like Cubic spline interpolation as well as standard Wavelet-based learning, both visually and in terms of the mean squared error (mse) values. This method gives good result with aliased images also.

Development of Directionally Adaptive Techniques for Single Image Super-Resolution

Super Resolution problem is an inverse problem and refers to the process of producing a High resolution (HR) image, making use of one or more Low Resolution (LR) observations. It includes up sampling the image, thereby, increasing the maximum spatial frequency and removing degradations that arise during the image capture namely aliasing and blurring. The work presented in this thesis is based on learning based single image super-resolution. In learning based super-resolution algorithms, a training set or database of available HR images are used to construct the HR image of an image captured using a LR camera. In the training set, images are stored as patches or coefficients of feature representations like wavelet transform, DCT, etc. Single frame image super-resolution can be used in applications where database of HR images are available. The advantage of this method is that by skilfully creating a database of suitable training images, one can improve the quality of the super-resolved image. A new super resolution method based on wavelet transform is developed and it is better than conventional wavelet transform based methods and standard interpolation methods. Super-resolution techniques based on skewed anisotropic transform called directionlet transform are developed to convert a low resolution image which is of small size into a high resolution image of large size. Super-resolution algorithm not only increases the size, but also reduces the degradations occurred during the process of capturing image. This method outperforms the standard interpolation methods and the wavelet methods, both visually and in terms of SNR values. Artifacts like aliasing and ringing effects are also eliminated in this method. The super-resolution methods are implemented using, both critically sampled and over sampled directionlets. The conventional directionlet transform is computationally complex. Hence lifting scheme is used for implementation of directionlets. The new single image super-resolution method based on lifting scheme reduces computational complexity and thereby reduces computation time. The quality of the super resolved image depends on the type of wavelet basis used. A study is conducted to find the effect of different wavelets on the single image super-resolution method. Finally this new method implemented on grey images is extended to colour images and noisy images

Anisotropic adaptive resolution of boundary layers for heat conduction problems

We deal with the numerical solution of heat conduction problems featuring steep gradients. In order to solve the associated partial differential equation a finite volume technique is used and unstructured grids are employed. A discrete maximum principle for triangulations of a Delaunay type is developed. To capture thin boundary layers incorporating steep gradients an anisotropic mesh adaptation technique is implemented. Computational tests are performed for an academic problem where the exact solution is known as well as for a real world problem of a computer simulation of the thermoregulation of premature infants.

Femtosecond imaging-mode laser-induced breakdown spectroscopy

Many nonlinear optical microscopy techniques based on the high-intensity nonlinear phenomena were developed recent years. A new technique based on the minimal-invasive in-situ analysis of the specific bound elements in biological samples is described in the present work. The imaging-mode Laser-Induced Breakdown Spectroscopy (LIBS) is proposed as a combination of LIBS, femtosecond laser material processing and microscopy. The Calcium distribution in the peripheral cell wall of the sunflower seedling (Helianthus Annuus L.) stem is studied as a first application of the imaging-mode LIBS. At first, several nonlinear optical microscopy techniques are overviewed. The spatial resolution of the imaging-mode LIBS microscope is discussed basing on the Point-Spread Function (PSF) concept. The primary processes of the Laser-Induced Breakdown (LIB) are overviewed. We consider ionization, breakdown, plasma formation and ablation processes. Water with defined Calcium salt concentration is used as a model of the biological object in the preliminary experiments. The transient LIB spectra are measured and analysed for both nanosecond and femtosecond laser excitation. The experiment on the local Calcium concentration measurements in the peripheral cell wall of the sunflower seedling stem employing nanosecond LIBS shows, that nanosecond laser is not a suitable excitation source for the biological applications. In case of the nanosecond laser the ablation craters have random shape and depth over 20 µm. The analysis of the femtosecond laser ablation craters shows the reproducible circle form. At 3.5 µJ laser pulse energy the diameter of the crater is 4 µm and depth 140 nm for single laser pulse, which results in 1 femtoliter analytical volume. The experimental result of the 2 dimensional and surface sectioning of the bound Calcium concentrations is presented in the work.

Optimal Sub-Pixel arrangements and coding for ultra-high resolution three-dimensional OLED displays

Information display technology is a rapidly growing research and development field. Using state-of-the-art technology, optical resolution can be increased dramatically by organic light-emitting diode - since the light emitting layer is very thin, under 100nm. The main question is what pixel size is achievable technologically? The next generation of display will considers three-dimensional image display. In 2D , one is considering vertical and horizontal resolutions. In 3D or holographic images, there is another dimension – depth. The major requirement is the high resolution horizontal dimension in order to sustain the third dimension using special lenticular glass or barrier masks, separate views for each eye. The high-resolution 3D display offers hundreds of more different views of objects or landscape. OLEDs have potential to be a key technology for information displays in the future. The display technology presented in this work promises to bring into use bright colour 3D flat panel displays in a unique way. Unlike the conventional TFT matrix, OLED displays have constant brightness and colour, independent from the viewing angle i.e. the observer's position in front of the screen. A sandwich (just 0.1 micron thick) of organic thin films between two conductors makes an OLE Display device. These special materials are named electroluminescent organic semi-conductors (or organic photoconductors (OPC )). When electrical current is applied, a bright light is emitted (electrophosphorescence) from the formed Organic Light-Emitting Diode. Usually for OLED an ITO layer is used as a transparent electrode. Such types of displays were the first for volume manufacture and only a few products are available in the market at present. The key challenges that OLED technology faces in the application areas are: producing high-quality white light achieving low manufacturing costs increasing efficiency and lifetime at high brightness. Looking towards the future, by combining OLED with specially constructed surface lenses and proper image management software it will be possible to achieve 3D images.

X-Ray spectra of superheavy and quasi-superheavy elements

We discuss the possibility of identifying superheavy elements from the observation of their M-shell x-ray spectra, which might occur during the collision of a superheavy element with a heavy target. The same question is discussed for the possible observation of the x-rays from the quasimolecule (quasi-superheavy element) which is formed during such a heavy-ion collision. It is shown that it is very difficult, if not impossible, to determine any information about the interesting quantum electrodynamical effects from the M-shell x-ray spectra of these quasimolecules.

Interchannel interactions and relaxation in the 2p auger spectra of Mg-like ions

Relativistic Auger rates for the 2p spectra of Mg-like ions have been calculated in the atomic range 13 < Z < 36. We used the multiconfiguration Dirac-Fock method but beyond a simple frozen-orbital approach we include also relaxation for the bound electrons and the interchannel interaction between the continuum states. Both effects may alter the individual transition rates remarkably. This is analysed for a few selected states within the isoelectronic sequence. Weak transitions within the 2p spectra can be changed by an order of magnitude because of the continuum coupling. The influence of both effects for higher-Z ions is reduced but still remain visible.

Spatio-temporal resolution studies on a highly compact ultrafast electron diffractometer

Time-resolved diffraction with femtosecond electron pulses has become a promising technique to directly provide insights into photo induced primary dynamics at the atomic level in molecules and solids. Ultrashort pulse duration as well as extensive spatial coherence are desired, however, space charge effects complicate the bunching of multiple electrons in a single pulse.Weexperimentally investigate the interplay between spatial and temporal aspects of resolution limits in ultrafast electron diffraction (UED) on our highly compact transmission electron diffractometer. To that end, the initial source size and charge density of electron bunches are systematically manipulated and the resulting bunch properties at the sample position are fully characterized in terms of lateral coherence, temporal width and diffracted intensity.Weobtain a so far not reported measured overall temporal resolution of 130 fs (full width at half maximum) corresponding to 60 fs (root mean square) and transversal coherence lengths up to 20 nm. Instrumental impacts on the effective signal yield in diffraction and electron pulse brightness are discussed as well. The performance of our compactUEDsetup at selected electron pulse conditions is finally demonstrated in a time-resolved study of lattice heating in multilayer graphene after optical excitation.

Kinetics and dynamics measured using IntraCavity Laser Absorption Spectroscopy

IntraCavity Laser Absorption Spectroscopy (ICLAS) is a high-resolution, high sensitivity spectroscopic method capable of measuring line positions, linewidths, lineshapes, and absolute line intensities with a sensitivity that far exceeds that of a traditional multiple pass absorption cell or Fourier Transform spectrometer. From the fundamental knowledge obtained through these measurements, information about the underlying spectroscopy, dynamics, and kinetics of the species interrogated can be derived. The construction of an ICLA Spectrometer will be detailed, and the measurements utilizing ICLAS will be discussed, as well as the theory of operation and modifications of the experimental apparatus. Results include: i) Line intensities and collision-broadening coefficients of the A band of oxygen and previously unobserved, high J, rotational transitions of the A band, hot-band transitions, and transitions of isotopically substituted species. ii) High-resolution (0.013 cm-1) spectra of the second overtone of the OH stretch of trans-nitrous acid recorded between 10,230 and 10,350 cm-1. The spectra were analyzed to yield a complete set of rotational parameters and an absolute band intensity, and two groups of anharmonic perturbations were observed and analyzed. These findings are discussed in the context of the contribution of overtone-mediated processes to OH radical production in the lower atmosphere.

Spectra info & resources

Resources and info updates for the Spectra Roadshow. SPECTRA LOGO for use on posters, etc...

Infra red spectra

Spectra taken using the Spectroscopy in a Suitcase spectrometer sponsored by the RSC. Spectra taken during the University of Southampton's School of Chemistry Twilight outreach events 2015.

Dispute resolution and “environmental” provisions in the WTO: promising developments for environmental matters

En la actualidad, la política internacional tiende hacia la unificación económica y cultural (globalización), en la cual la totalidad de las naciones se encuentran vinculadas por interacciones comerciales. Para que los compromisos adquiridos en materia de protección ambiental sean respetados, el derecho ambiental debe dejar de ser considerado como una disciplina separada y buscar sinergias que le permitan convertirse en un actor importante en las relaciones comerciales. En el presente ensayo se argumenta que el comercio internacional y el derecho ambiental han coevolucionado en las últimas tres décadas, hasta llegar a un balance en el concepto de desarrollo sostenible.Este artículo explora esta coevolución, mientras propone que la Organización Mundial del Comercio (OMC) puede jugar un importante rol en el cumplimiento de los objetivos internacionales de protección ambiental si sus disposiciones “verdes” y su sistema de resolución de conflictos son utilizados para promoverlos, tal como está sucediendo. Para ilustrar este punto, se presenta un breve resumen de los tratados comerciales y ambientales suscritos desde los años setenta, seguido de una explicación de las disposiciones legales de la OMC que pueden ser consideradas como “verdes”, con el fin de hallar puntos de convergencia que puedan ser utilizados por los países miembros no solo para justificar la adopción de normativas domésticas de protección ambiental, sino también para instar a los otros signatarios en el cumplimiento de sus obligaciones en esta área.

The Construction of a State Peace Policy and the Process of Conflict Resolution

The academic literature specialized on processes of conflict resolution has focused on how third party intervention and mediation can contribute to end violent conflict, however it has also ignored the potential role of the state in countries affected by internal war. This article calls for a better understanding of the state, not only as a source of contemporary conflict but as a potential advocate of conflict resolution processes. It suggests that it is necessary and possible to involve the state in more effective processes of conflict resolution through the implementation of a State Peace Policy. The central argument is that some of the critical elements that should guide the state action when confronting the destructive logic of war and violence can be effectively undertaken through a public policy focused on building peace. After suggesting a general definition of State Peace Policy and highlighting some of its main attributes, the article recognizes that this sort of policy can also orientate the unfinished process of state consolidation in Colombia and other countries affected by internal conflict. The role of the state in the process of conflict resolution is crucial; however there are some issues normally ignored within the policy-making process, they must be seriously taken into account in order to eliminate the underlying structures that perpetuate conflict and delay the consolidation of sustainable peace.-----La literatura académica especializada en procesos de resolución de conflictos se ha centrado en el estudio de cómo la intervención de terceras partes y la labor de mediación pueden contribuir a poner fin a los conflictos violentos, sin embargo, también ha ignorado el rol potencial del estado en aquellos países afectados por la guerra interna. Este artículo llama la atención sobre la necesidad de estudiar al estado no sólo como la fuente de los conflictos contemporáneos, sino como un colaborador potencial en procesos de resolución de conflictos. Se sugiere que es necesario y también posible involucrar al estado en este tipo de procesos de una manera más efectiva a través de la implementación de una Política de Estado centrada en la Paz. El argumento central es que algunos de los elementos claves que deben guiar la acción del estado cuando éste se enfrenta a la lógica destructiva de la guerra y la violencia, pueden ser efectivamente tratados a través de una política pública que de prioridad a la construcción de la paz. Luego de sugerir una definición general y destacar algunos de los principales atributos de ésta clase de Política de Estado, el artículo reconoce que ésta podría también orientar el proceso inacabado de consolidación del estado en Colombia y en otros países afectados por conflictos internos. El rol del estado en el proceso para resolver los conflictos es crucial, sin embargo hay algunos aspectos normalmente ignorados durante el proceso de formulación de políticas que deben ser tomados en cuenta seriamente para eliminar las estructuras que perpetúan el conflicto y que retrasan la consolidación de la paz sostenible.