http://www.hindawi.comThe latest articles from Hindawi Publishing Corporation© 2012, Hindawi Publishing Corporation. All rights reserved.http://www.hindawi.com/journals/ijs/2012/494301/Portable unilateral NMR was used to quantitatively map in a fully noninvasive way the moisture distribution in an ancient deteriorated wall painting before and after an intervention to reduce the capillary raise of water through the wall. Maps obtained at a depth of 0.5 cm clearly showed the path of the capillary raise and indicated that, after the intervention, the moisture level was reduced. Maps obtained by measuring the first layers of the wall painting were affected by the critical environmental conditions of the second hypogeous level of St. Clement Basilica, Rome, and by the presence of salts efflorescence and encrustations on the surface of the wall painting. The morphology and the elemental composition of salts investigated by SEM-EDS indicated that efflorescences and encrustations were mostly constituted of gypsum and calcite. The presence of these salts is explained with the presence of high concentration of carbon dioxide and sulphur-rich particles due to pollution which, along with the high-moisture level and the extremely feeble air circulation, cause recarbonation and sulphation processes on the plaster surface.Valeria Di Tullio, Noemi Proietti, Gennaro Gentile, Elisabetta Giani, Domenico Poggi, and Donatella CapitaniCopyright © 2012 Valeria Di Tullio et al. All rights reserved.http://www.hindawi.com/journals/ijs/2012/894841/Laser-spectrometric methods to derive absolute and traceable carbon monoxide (CO) amount fractions in exhaled human breath could be of advantage for early disease detection as well as for treatment monitoring. As proof-of-principle laboratory experiment, we employed intra-pulse and continuous wave (cw) quantum cascade laser spectroscopy (QCLAS), both at 4.6 μm. Additional experiments were carried out applying cw cavity ring-down spectroscopy (CRDS) with a CO sideband laser and a QCL. We emphasize metrological data quality objectives, thatis, traceability and uncertainty, which could serve as essential benefits to exhaled breath measurements. The results were evaluated and compared on a 100 μmol/mol CO level using the two QCLAS spectrometers, and the cw CO sideband laser CRDS setup. The relative standard uncertainties of the pulsed and the cw QCLAS CO amount fraction results were ±4.8 and ±2.8%, respectively, that from the CO sideband laser CRDS was ±2.7%. Sensitivities down to a 3 nmol/mol CO level were finally demonstrated and quantified by means of cw CRDS equipped with a QCL yielding standard uncertainties of about ±2.5 that are exclusively limited by the available line strength figure quality. With this study we demonstrate the achieved comparability of CO quantifications, adhering metrological principles.Javis Anyangwe Nwaboh, Stefan Persijn, Kathrin Heinrich, Marcus Sowa, Peter Hering, and Olav WerhahnCopyright © 2012 Javis Anyangwe Nwaboh et al. All rights reserved.http://www.hindawi.com/journals/ijs/2012/847676/Electron ionization (EI) mass spectral fragmentation routes of twelve 5-bromo-2,4-di-o-(m- and p-) chloro- (bromo-)benzyl-thiouracils and 6-methyluracils are investigated. The compounds studied are analyzed using gas chromatography/mass spectrometry (GC/MS). Fragmentation pathways, whose elucidation is assisted by accurate mass measurements and metastable transitions, are discussed. Correlation between the abundances of the selected fragment ions of the compounds investigated is discussed. The data obtained make grounds for distinction of structural isomers.G. Bartkowiak, E. Wyrzykiewicz, and G. SchroederCopyright © 2012 G. Bartkowiak et al. All rights reserved.http://www.hindawi.com/journals/ijs/2012/271435/Time-resolved stimulated emission spectroscopy was employed to probe the local environment of DASPMI (4-(4-(dimethylamino)styryl)-N-methyl-pyridinium iodide) in binary solvents of different viscosity and in a sol-gel matrix. DASPMI is one of the molecules of choice to probe local environments, and the dependence of its fluorescence emission decay on viscosity has been previously used for this purpose in biological samples, solid matrices as well as in solution. The results presented in this paper show that time-resolved stimulated emission of DASPMI is a suitable means to probe the viscosity of local environments. Having the advantage of a higher time resolution, stimulated emission can provide information that is complementary to that obtained from fluorescence decay measurements, making it feasible to probe systems with lower viscosity.Ana Rei, Graham Hungerford, Michael Belsley, M. Isabel C. Ferreira, and Peter SchellenbergCopyright © 2012 Ana Rei et al. All rights reserved.http://www.hindawi.com/journals/ijs/2012/985131/Chromium(VI) salts are possible contaminants of the chromium(III) pigments used as colorants in eyeshadow preparations. The use of products containing these contaminants poses acute risks for sensitization and contact allergies. Chromium(VI) compounds are also classified as carcinogenic to humans (IARC group 1). An analytical method to analyse trace levels of chromium(VI) in eyeshadow was developed in this study. The method is based on an extraction of the chromium(VI) from the sample using a maximum extraction with alkali and additionally with synthetic lachrymal fluid to simulate physiological conditions. Following derivatization with 1,5-diphenylcarbazide, the extracted chromium(VI) is then quantified by spectrophotometry (540 nm). Validation tests indicated a method standard deviation (inter- and intraday) of 8.7% and a linear range up to 25 mg/kg. The average recovery was 107.9%, and the detection limit was 2.7 mg/kg. The applicability of the procedure was confirmed by the analysis of pigments and authentic eyeshadow matrices.Sarah Wurster, Evamaria Kratz, Dirk W. Lachenmeier, and Gerd MildauCopyright © 2012 Sarah Wurster et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/954252/A new fluorescent composite based on CdS quantum dots immobilized on the multidentate biopolymer matrix is prepared through the graft copolymerization of the acrylamide onto kappa-Carrageenan. A variety of techniques like thermogravimetric analysis (TGA), transmission electron microscopy (TEM), and Fourier transform infrared spectroscopy (FT-IR) was used to confirm the structure of the obtained samples. To investigate the spectrofluorometric properties, fluorescence spectroscopy of the obtained quantum dots was studied.Ghasem Rezanejade Bardajee, Zari Hooshyar, and Yousof PourhasanCopyright © 2011 Ghasem Rezanejade Bardajee et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/578374/High-resolution atomic-beam ultraviolet (UV) laser spectroscopy in Dy I and Er I has been performed. Isotope shifts have been measured for two transitions in Dy I and one transition in Er I. Specific mass shifts and field shifts have been derived for the studied transitions, and large differences between the two 4f106s2–4f106s6p transitions in Dy I have been found. From the derived specific mass shifts and field shifts, configuration mixing at the upper levels of transitions has been discussed.Wei-Guo Jin, Hiroaki Ono, and Tatsuya MinowaCopyright © 2011 Wei-Guo Jin et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/949745/In 2001, two potential disinfection by-products (DBPs) were tentatively identified as 1-aminoxy-1-chlorobutan-2-ol (DBP-A) and its bromo analogue (DBP-B) (Taguchi 2001). Subsequently it became clear, by consulting an updated version of the NIST database, that their mass spectra are close to those of the halohydrins 4-chloro-2-methylbutan-2-ol and 3-bromo-2-methylbutan-2-ol. To establish the structures of these DBPs, additional mass spectrometric experiments, including Fourier transform ion cyclotron resonance (FTICR), were performed on treated drinking water samples and authentic halohydrin standards. It appears that DBP-A is 3-chloro-2-methylbutan-2-ol and that DBP-B is its bromo analogue. DBP-B has been detected in ozonated waters containing bromide. Our study also shows that these DBPs can be laboratory artefacts, generated by the reaction of residual chlorine in the sample with 2-methyl-2-butene, the stabilizer in the CH2Cl2 used for extraction. This was shown by experiments using CH2Cl2 stabilized with deuterium labelled 2-methyl-2-butene. Quenching any residual chlorine in the drinking water sample with sodium thiosulfate minimizes the formation of these artefacts.Karl J. Jobst, Vince Y. Taguchi, Richard D. Bowen, Moschoula A. Trikoupis, and Johan K. TerlouwCopyright © 2011 Karl J. Jobst et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/527642/We have investigated the optical properties of InAs/GaAs (113)A quantum dots grown by molecular beam epitaxy (MBE) capped by (In,Ga)As. Reflection high-energy electron diffraction (RHEED) is used to investigate the formation process of InAs quantum dots (QDs). A broadening of the PL emission due to size distribution of the dots, when InAs dots are capped by GaAs, was observed. A separation between large and small quantum dots, when they are encapsulated by InGaAs, was shown due to hydrostatic and biaxial strain action on large and small dots grown under specifically growth conditions. The PL polarization measurements have shown that the small dots require an elongated form, but the large dots present a quasi-isotropic behavior.Faouzi Saidi, Mouna Bennour, Lotfi Bouzaïene, Larbi Sfaxi, and Hassen MaarefCopyright © 2011 Faouzi Saidi et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/452626/We have introduced an algebraic technique to biomolecules (porphyrins) family to determine the vibrational spectra. We present an algebraic model of vibrations of polyatomic biomolecules, as an example, the vibrational analysis of stretching modes of nickel octaetheylporphyrin (Ni(OEP)) and its isotopomers. The algebraic technique obtained the results are compared with experimental data; the results are showing good accuracy. Some reassignments of energy levels that predict location of energy states not yet observed.Srinivasa Rao Karumuri, Vijayasakhar Jallaparthi, and Sreeram VenigallaCopyright © 2011 Srinivasa Rao Karumuri et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/810641/Manganese is an essential element, but high levels in foods can be toxic mainly for children. A fast and efficient method to determine Mn in milk and other infant foods using slurries and liquid samples is presented. Slurries were prepared in ultrapure water with 10 minutes of sonication. Liquid samples were diluted in ultrapure water when necessary. Multivariate optimization was used to establish some optimal analytical parameters through a fractional factorial design and a central composite design. Slurred and diluted samples were analyzed directly by GF AAS. The method presented limit of detection of (0.98±0.04) μg L−1, characteristic mass of (2.9±0.3) pg (recommended value 2 pg), RSD of 2.3% (n=5), and linear range from 0.98 to 20.0 μg L−1 using iridium as permanent modifier. The accuracy was evaluated analyzing two certified reference materials: nonfat milk powder (SRM1549) and whole milk powder (SRM8435). The powdered samples concentrations were between 0.210 and 26.3 μg g−1.Flávia Regina de Amorim, Clésia Cristina Nascentes, Milton Batista Franco, and José Bento Borba da SilvaCopyright © 2011 Flávia Regina de Amorim et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/262715/This paper presents some recent applications of Flame Atomic Absorption Spectrometry (FAAS) to different matrices and samples. The time window selected was from 2006 up to March, 2011, and several aspects related to food, biological fluids, environmental, and technological samples analyses were reported and discussed. In addition, the chemometrics application for FAAS methods development was also taken into account, as well as the use of metal tube atomizers in air/acetylene flame. Preconcentration methods coupled to FAAS were discussed, and several approaches related to speciation, flotation, ionic liquids, among others were discussed. This paper can be interesting for researchers and FAAS users in order to see the state of the art of this technique.Amália Geiza Gama Dionísio, Amanda Maria Dantas de Jesus, Renata Stábile Amais, George Luís Donati, Kelber dos Anjos Miranda, Marcelo Braga Bueno Guerra, Joaquim Araújo Nóbrega, and Edenir Rodrigues Pereira-FilhoCopyright © 2011 Amália Geiza Gama Dionísio et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/171684/1H NMR spectroscopy is utilized to quantify total thujone (sum of α- and β-isomers) in absinthe. For sample preparation, a simple dilution with buffer is required. Thujone produces a distinct peak of the CH2 group in the cyclopentanone moiety in the 2.13–2.11 ppm range. No overlap with other typical constituents such as anethole or fenchone occurs. The detection limit of 0.3 mg/L is adequate to control the EU maximum limit. The relative standard deviation was 6%, and linearity was observed from 1 to 100 mg/L. Applicability was proven by analysis of 69 authentic absinthes. The correlation between NMR and our previous method consisting of liquid-liquid extraction followed by GC/MS was significant (P<0.0001,R=0.93). The simple and cheap NMR method can be used for rapid screening of absinthes for total thujone content while chromatographic techniques are recommended for more specific (α- and β-thujone isomers) analysis if required.Yulia B. Monakhova, Thomas Kuballa, and Dirk W. LachenmeierCopyright © 2011 Yulia B. Monakhova et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/792131/A review focused on plasma induced on solid target by GW-level pulsed laser source is presented. A description of the Tor Vergata laser-plasma source (TVLPS), at the Tor Vergata University in Rome, is given. Such a facility uses a 1  GW, tabletop, multistage Nd:YAG/Glass laser system, delivering infrared (IR) pulses with nanosecond width and 1064 nm wavelength (TEM00 mode). Its applications are discussed providing: wide analysis of IR → soft X-ray conversion efficiency (1.3–1.55 keV); measures and modeling of line emission in soft X-ray spectra, such as those from zinc plasma near Ne-like Zn XXI and from barium plasma near Ni-like Ba XXIX. Particular attention is devoted to high-n dielectronic Rydberg satellites for finding a useful diagnostic tool for plasma conditions. Dependence of plasma spectra on laser parameters is shown. Finally, microradiography applications are presented for thin biological samples. Images permit to visualize specific structures and detect bioaccumulation sites due to contamination from pollutants.M. Francucci, P. Gaudio, S. Martellucci, and M. RichettaCopyright © 2011 M. Francucci et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/318148/Methamphetamine (MA), amphetamine (AM), and the methylenedioxyphenylalkylamine designer drugs, such as 3,4-methylenedioxymethamphetamine (MDMA), 3,4-methylenedioxyethylamphetamine (MDEA), N-methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine (MBDB), 3,4-methylenedioxyamphetamine (MDA), and 3,4-(methylenedioxyphenyl)-2-butanamine (BDB), are widely abused as psychedelics. In this paper, these compounds were derivatized with trifluoroacetic (TFA) anhydride and analyzed by gas chromatography/mass spectrometry using electron ionization in positive mode. Gas chromatographic separation for TFA derivatives of all compounds was successfully resolved using an Equity-5 fused silica capillary column with a poly (5% diphenyl-95% dimethylsiloxane) stationary phase. Base peaks or prominent peaks of MA, AM, MDMA, MDEA, MBDB, MDA, and BDB appeared at m/z 154, 140, 154, 168, 168, 135, and 135, respectively. These occurred due to α-cleavage from the amide nitrogen, splitting into the TFA imine species and benzyl or methylenedioxybenzyl cations. Further prominent fragment ions at m/z 118 for MA and AM, m/z 162 for MDMA, MDEA, and MDA, and m/z 176 for MBDB and BDB were produced by cleavage of the phenylpropane or methylenedioxypropane hydrocarbon radical cation via a hydrogen rearrangement. These fragmentation pathways for the TFA derivatives of all the compounds are summarized and illustrated in this paper.Takeshi Kumazawa, Kenji Hara, Chika Hasegawa, Seisaku Uchigasaki, Xiao-Pen Lee, Hiroshi Seno, Osamu Suzuki, and Keizo SatoCopyright © 2011 Takeshi Kumazawa et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/568913/We have used the traceable infrared laser spectrometric amount fraction measurement (TILSAM) method to perform absolute concentration measurements of molecular species using three laser spectroscopic techniques. We report results performed by tunable diode laser absorption spectroscopy (TDLAS), quantum cascade laser absorption spectroscopy (QCLAS), and cavity ring down spectroscopy (CRDS), all based on the TILSAM methodology. The measured results of the different spectroscopic techniques are in agreement with respective gravimetric values, showing that the TILSAM method is feasible with all different techniques. We emphasize the data quality objectives given by traceability issues and uncertainty analyses.Javis Anyangwe Nwaboh, Thibault Desbois, Daniele Romanini, Detlef Schiel, and Olav WerhahnCopyright © 2011 Javis Anyangwe Nwaboh et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/815304/Infrared difference spectroscopy was used to study how changes in the processing of Arabica coffee cherries into green beans affected the flavor of coffee brewed from roasted green beans. Paired samples of green beans, in which the drying step or fermentation/washing step in their processing was altered, were roasted and brewed in a standard manner and their ATR-FT-IR spectra obtained. Difference spectra of the 1800 to 1680 cm−1 carbonyl region of water-subtracted spectra of paired samples of these brewed coffees provided data which indicated differences in brewed coffee flavor due to changes in fermentation/washing steps and drying steps involved in the processing of coffee cherries. The role of acid, ketone, aldehyde, ester, lactone, and vinyl ester carbonyl components on the flavor of brewed coffee is proposed that is consistent with the flavors as perceived by the coffee tasters.Donald J. Lyman, Robert M. Benck, and Scott F. MerleCopyright © 2011 Donald J. Lyman et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/814179/We describe innovative methodology for monitoring alterations in bladder oxygenation and haemodynamics in humans using near-infrared spectroscopy (NIRS). Concentrations of the chromophores oxygenated (O2Hb) and deoxygenated (HHb) haemoglobin and their sum (total haemoglobin) differ during bladder contraction in health and disease. A wireless device that incorporates three paired light emitting diodes (wavelengths 760 and 850 nanometers) and silicon photodiode detector collects data transcutaneously (10 Hz) with the emitter/detector over the bladder during spontaneous bladder emptying. Data analysis indicates comparable patterns of change in chromophore concentration in healthy children and adults (positive trend during voiding, predominantly due to elevated O2Hb), but different changes in symptomatic subjects with characteristic chromophore patterns identified for voiding dysfunction due to specific pathophysiologies: bladder outlet obstruction (males), overactive bladder (females), and nonneurogenic dysfunction (children). Comparison with NIRS muscle data suggests altered bladder haemodynamics and/or oxygenation may underlie voiding dysfunction offering new insight into the causal physiology.Andrew Macnab, Babak Shadgan, Kourosh Afshar, and Lynn StothersCopyright © 2011 Andrew Macnab et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/746372/A polyvinylchloride (PVC) membrane optode was prepared by using 1,2-di(o-salicylaldiminophenylthio)ethane (H2DSALPTE) as a chelating reagent for selective determination of Ni(II) ions. The optimized membranes incorporating H2DSALPTE as an ionophore, sodium tetraphenylborate (NaTPB) as an anion excluder, and tributyl phosphate (TBP) as a solvent mediator were prepared and applied for determination of Ni(II) ions. The membrane responded to Ni(II) ion by changing the color from yellow to green in an acetate buffer solution at pH 6.0. The best performance was observed when the membrane having a composition of 3.17% ligand, 31.64% PVC, 63.29% TBP, and 1.90% NaTPB. The membrane can be worked well over a wide concentration range from 1.0 × 10−5 to 5.0 × 10−3 M. The membrane exhibited a detection limit of 8.51 × 10−6 M, and the response time of the membrane was within 7–12 min depending on the concentration of Ni(II) ions. The selectivity of the probe towards nickel determination was found to be very good. Experimental results showed that the probe could be used as an effective tool in analyzing the Ni(II) content of water samples.B. Rezaei, H. Hadadzadeh, and A. AzimiCopyright © 2011 B. Rezaei et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/394948/The electronic absorption spectra of triazolo pyrimidine and some of its derivatives were measured in polar as well as nonpolar solvents. Assignment of the observed transitions is facilitated via molecular orbital calculations. Charge density distributions, dipole moments, and the extent of delocalization of the MOS were used to interpret the observed solvent effects. The observed transitions are assigned as charge transfer (CT), localized, and delocalized according to the contribution of the various configurations in the CI-states. The correspondence between the calculated and experimental transition energies is satisfactory.Hussein Moustafa, M. F. Shibl, Rifaat Hilal, Laila I. Ali, and Sheimaa Abdel HalimCopyright © 2011 Hussein Moustafa et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/523017/Versatile novel implementations in microspectroscopy are developed, which can provide angle-resolved optical spectroscopy at local sample areas almost in diffraction limit. By selecting focus position of light flux incident within the back focal plane of the objective lens radially from the position of the optical axis of the microscope with employing off-centered pinhole, we can obtain parallel beam with oblique incidence and its angle tuning at the sample surface. In this paper, we describe our specific optical setup and its practical working principle in detail. We report, as a demonstration of its performance, our latest studies on optical properties of cavity polariton states in the so-called quantum microcavity structures, which contain molecular J-aggregates of pseudoisocyanine (PIC) dye as active working materials. By using the microscope technique, we obtain a fair amount of improvement in the linewidth observation of cavity polariton spectra.Yuki Obara, Keita Saitoh, Masaru Oda, and Toshiro TaniCopyright © 2011 Yuki Obara et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/810936/Effects of gamma irradiation at different doses up to 135 kGy on polyethylene terephthalate (PET) polymer films have been investigated by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and ultraviolet-visible (UV-VIS) spectroscopy. From XRD analysis, it was found that even at a high dose of gamma irradiation of 135 kGy, crystallinity of the PET samples remain unchanged. However, the FTIR peak at 871 cm−1 (depicting C–H bending mode of out-of-plane vibration) and another at 1303 cm−1 (representing C–H bending mode of in-plane vibration) disappear for gamma-irradiated PET. In this study, it has also been found that γ-irradiation in air enhances the optical absorption in the wavelength region 320–370 nm. This has been attributed to free radicals being produced in the polymer by the γ-radiation. Further, the free radicals react with oxygen of air to form carbonyl group and hydroxyls. With increasing γ-dose, there is a red shift of the UV—near visible cutoff for PET. XRD and FTIR observations on γ-damage have been correlated.Shiv Govind Prasad, Abhijit De, and Udayan DeCopyright © 2011 Shiv Govind Prasad et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/281931/NO2 can be transformed into nitrite by the absorption of Rhodamine B solution, which will make fluorescence quenching of Rhodamine B in acidic medium. According to this mechanism, a new method for detecting nitrogen oxides in the air is developed by a fluorescence spectrophotometry. The influence of environmental media and interfering substances in the fluorescence intensity of system was studied. Under the optimal experimental conditions, the decrease of fluorescence intensity varies linearly with the concentration of NO2  − over the range of 0.009~0.500 μg/ml with a correlation coefficient of 0.9992. The method is simple and has a lower limit of detection than the common methods. It can be a referee for the environmental evaluation.Yan Pugen, Qiu Haiou, Lu Cuili, and Tang ZhiyongCopyright © 2011 Yan Pugen et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/296256/DX600, a small peptide with 26 residues, is a potent, highly selective inhibitor of angiotensin converting enzyme 2 (ACE2). A range of NMR methods including TOCSY and ROESY yield an assignment of its proton spectrum in water and constraints on its conformation. Constrained molecular dynamics simulations of solvated DX600 show that the peptide's most abundant conformer adopts a predominantly random coil conformation. Constrained by the disulfide bond, its backbone defines an overhand knot with frayed ends.Wayne E. Steinmetz, Timothy N. Carrell, and Richard B. PeprahCopyright © 2011 Wayne E. Steinmetz et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/583743/In this paper, we present MieLab, a free computational package for simulating the scattering of electromagnetic radiation by multilayered spheres or an ensemble of particles with normal size distribution. It has been designed as a virtual laboratory, including a friendly graphical user interface (GUI), an optimization algorithm (to fit the simulations to experimental results) and scripting capabilities. The paper is structured in five different sections: the introduction is a perspective on the importance of the software for the study of scattering of light scattering. In the second section, various approaches used for modeling the scattering of electromagnetic radiation by small particles are discussed. The third and fourth sections are devoted to provide an overview of MieLab and to describe the main features of its architectural model and functional behavior, respectively. Finally, several examples are provided to illustrate the main characteristics of the software.Ovidio Peña-Rodríguez, Pedro Pablo González Pérez, and Umapada PalCopyright © 2011 Ovidio Peña-Rodríguez et al. All rights reserved.http://www.hindawi.com/journals/ijs/2011/945216/The complete 1H and 13C NMR assignment of new 1,3-oxazepane-4,7-dione compounds has been obtained using one- and two-dimensional NMR techniques including COSY, HMQC, and HMBC experiments. The data deduced from this study show that the alkyl chain and the phenyl ring are in different planes compared to the oxazepine ring.AbdulKarim-Talaq Mohammad, Hasnah Osman, and Guan-Yeow YeapCopyright © 2011 AbdulKarim-Talaq Mohammad et al. All rights reserved.http://www.hindawi.com/journals/ijs/2010/206362/The measurement of elastic constants plays an important role in condensed matter physics and materials characterization. This paper presents the resonant ultrasound spectroscopy (RUS) method for the determination of elastic constants in a single crystal or amorphous solid. In RUS, the measured resonance spectrum of a properly prepared sample and other information such as geometry, density, and initial estimated elastic constants are used to determine the elastic constants of the material. We briefly present the theoretical background and applications to specific materials; however, the focus of this review is on the technical applications of RUS, especially those for high-temperature measurements.G. Li and J. R. GladdenCopyright © 2010 G. Li and J. R. Gladden. All rights reserved.http://www.hindawi.com/journals/ijs/2010/323848/Quantum-mechanical and semi-classical spectral-line shapes are computed at T=400, 800, and 1000 K for the line core of the 5802 Å line of the Ar-Perturbed/K-Radiator system. HWHMs (w's) are measured from computed full spectral-line shapes. The final-state pseudopotential is for the 7s2S1/2 state, and the initial-state potential is for the 4p2P3/2,3/2 state. Three high-pressure (P) log(w)—versus—log(P) curves, corresponding to the non-impact region, intersect a similar set of low-P, impact-region curves at intersections, P0's. Similarly, for two sets of log(w)—versus—log(n) curves, which yield intersections, n0's, where n is the perturber density. These n0's and p0's separate the two regions and represent the upper limits of the impact regions. A specific validity condition for the impact region is given by the equation n≤n0. From an earlier spectroscopic, Fabry-Perot paper, wexpt=0.021 cm−1 at T=400 K and P=10 torr. Two theoretical values, wtheor=0.025 and 0.062 cm−1 corresponding to two different pseudo-potentials, are reported. Two T-dependent figures are given, in which the first shows an increase in the impact region with T, based on P as the basic parameter, and the second which shows a decrease in the impact region with T, based on n as the basic parameter.W. C. KreyeCopyright © 2010 W. C. Kreye. All rights reserved.http://www.hindawi.com/journals/ijs/2010/384956/We describe in detail our method of measuring the chemical forms of microparticles in polar ice samples through micro-Raman spectroscopy. The method is intended for solid ice samples, an important point because melting the ice can result in dissociation, contamination, and chemical reactions prior to or during a measurement. We demonstrate the technique of measuring the chemical forms of these microparticles and show that the reference spectra of those salts expected to be common in polar ice are unambiguously detected. From our measurements, Raman intensity of sulfate salts is relatively higher than insoluble dust due to the specific Raman scattering cross-section of chemical forms of microparticles in ice.Toshimitsu Sakurai, Hiroshi Ohno, Shinichiro Horikawa, Yoshinori Iizuka, Tsutomu Uchida, and Takeo HondohCopyright © 2010 Toshimitsu Sakurai et al. All rights reserved.http://www.hindawi.com/journals/ijs/2010/704183/We have studied the effective nonradiative relaxation rate of the hyperfine level 87Rb[5P3/2(F′=3)] near a metallic film with diode laser-induced retrofluorescence spectroscopy and saturated-absorption spectroscopy technique. The glass-vapor interface is considered as two distinct regions, a wavelength-thickness vapor layer joined to the surface and a more remote vapor region. The total experimental retrofluorescence signal Sob(νL) is the summation of the signal originating from the far-field region ST(νL) and the signal originating from the near-field region sn(νL). Considering the thermalization of 87Rb(5P3/2) atoms in the far-field region, we can approximate ST(νL) by using the vertical fluorescence signal near the entrance window. Thus we get the experimental hyperfine signal profile of 87Rb in the near-field region. The value of the effective nonradiative transfer rate AF′=3→F=2nf=2.3×108s−1 near the metallic film is relatively large compared to the spontaneous emission rate AF′=3→F=2=1.1×107s−1Jing Liu, Yifan Shen, and Kang DaiCopyright © 2010 Jing Liu et al. All rights reserved.