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- ItemUltra-compact tunable fiber laser for coherent anti-Stokes Raman imaging(Chichester [u.a.] : Wiley, 2021) Gottschall, Thomas; Meyer-Zedler, Tobias; Schmitt, Michael; Huber, Robert; Popp, Juergen; Tünnermann, Andreas; Limpert, JensThis work describes the construction of an ultra-compact narrowband fiber laser source for coherent anti-Stokes Raman scattering microscopy of Raman tags, that is, for addressing Raman resonances of deuterated molecules and alkyne tags in the spectral range from 2080 to 2220 cm−1. A narrowband and fast electronically tunable cw seed source based on a semiconductor optical amplifier (SOA) emitting around 1335 nm has been employed to seed four-wave mixing (FWM) in an endlessly single mode fiber (ESM) pumped by a ps pulse duration Yb-fiber laser. A conversion efficiency of 50% is demonstrated. This compact fiber optical parametric amplifier (FOPA) has been used to perform coherent anti-Stokes Raman imaging experiments of crystalline deuterated palmitic acid.
- ItemRaman shifts in MBE-grown SixGe1 − x − ySny alloys with large Si content(Chichester [u.a.] : Wiley, 2021) Schlipf, Jon; Tetzner, Henriette; Spirito, Davide; Manganelli, Costanza L.; Capellini, Giovanni; Huang, Michael R. S.; Koch, Christoph T.; Clausen, Caterina J.; Elsayed, Ahmed; Oehme, Michael; Chiussi, Stefano; Schulze, Jörg; Fischer, Inga A.We examine the Raman shift in silicon–germanium–tin alloys with high silicon content grown on a germanium virtual substrate by molecular beam epitaxy. The Raman shifts of the three most prominent modes, Si–Si, Si–Ge, and Ge–Ge, are measured and compared with results in previous literature. We analyze and fit the dependence of the three modes on the composition and strain of the semiconductor alloys. We also demonstrate the calculation of the composition and strain of SixGe1 − x − ySny from the Raman shifts alone, based on the fitted relationships. Our analysis extends previous results to samples lattice matched on Ge and with higher Si content than in prior comprehensive Raman analyses, thus making Raman measurements as a local, fast, and nondestructive characterization technique accessible for a wider compositional range of these ternary alloys for silicon-based photonic and microelectronic devices.
- ItemThe impact of ultraviolet laser excitation during Raman spectroscopy of hexagonal boron nitride thin films(Chichester [u.a.] : Wiley, 2020) Karim, Marwa; Lopes, Joao Marcelo J.; Ramsteiner, ManfredWe utilized excitation in the ultraviolet (UV) spectral range for the study of hexagonal boron nitride (h-BN) thin films on different substrates by Raman spectroscopy. Whereas UV excitation offers fundamental advantages for the investigation of h-BN and heterostructures with graphene, the actual Raman spectra recorded under ambient conditions reveal a temporal decay of the signal intensity. The disappearance of the Raman signal is found to be induced by thermally activated chemical reactions with ambient molecules at the h-BN surface. The chemical reactions could be strongly suppressed under vacuum conditions which, however, favor the formation of a carbonaceous surface contamination layer. For the improvement of the signal-to-noise ratio under ambient conditions, we propose a line-scan method for the acquisition of UV Raman spectra in atomically thin h-BN, a material which is expected to play a key role in future technologies based on 2D van der Waals heterostructures. © 2020 The Authors. Journal of Raman Spectroscopy published by John Wiley & Sons Ltd
- ItemTemperature dependence of strain–phonon coefficient in epitaxial Ge/Si(001): A comprehensive analysis(Chichester [u.a.] : Wiley, 2020) Manganelli, C.L.; Virgilio, M.; Skibitzki, O.; Salvalaglio, M.; Spirito, D.; Zaumseil, P.; Yamamoto, Y.; Montanari, M.; Klesse, W.M.; Capellini, G.We investigate the temperature dependence of the Ge Raman mode strain–phonon coefficient in Ge/Si heteroepitaxial layers. By analyzing the temperature-dependent evolution of both the Raman Ge-Ge line and of the Ge lattice strain, we obtain a linear dependence of the strain–phonon coefficient as a function of temperature. Our findings provide an efficient method for capturing the temperature-dependent strain relaxation mechanism in heteroepitaxial systems. Furthermore, we show that the rather large variability reported in the literature for the strain–phonon coefficient values might be due to the local heating of the sample due to the excitation laser used in µ-Raman experiments. © 2020 The Authors. Journal of Raman Spectroscopy published by John Wiley & Sons Ltd
- ItemCorrelation of crystal violet biofilm test results of Staphylococcus aureus clinical isolates with Raman spectroscopic read-out(Chichester [u.a.] : Wiley, 2021) Ebert, Christina; Tuchscherr, Lorena; Unger, Nancy; Pöllath, Christine; Gladigau, Frederike; Popp, Jürgen; Löffler, Bettina; Neugebauer, UteBiofilm-related infections occur quite frequently in hospital settings and require rapid diagnostic identification as they are recalcitrant to antibiotic therapy and make special treatment necessary. One of the standard microbiological in vitro tests is the crystal violet test. It indirectly determines the amount of biofilm by measuring the optical density (OD) of the crystal violet-stained biofilm matrix and cells. However, this test is quite time-consuming, as it requires bacterial cultivation up to several days. In this study, we correlate fast Raman spectroscopic read-out of clinical Staphylococcus aureus isolates from 47 patients with different disease background with their biofilm-forming characteristics. Included were low (OD < 10), medium (OD ≥ 10 and ≤20), and high (OD > 20) biofilm performers as determined by the crystal violet test. Raman spectroscopic analysis of the bacteria revealed most spectral differences between high and low biofilm performers in the fingerprint region between 750 and 1150 cm−1. Using partial least square regression (PLSR) analysis on the Raman spectra involving the three categories of biofilm formation, it was possible to obtain a slight linear correlation of the Raman spectra with the biofilm OD values. The PLSR loading coefficient highlighted spectral differences between high and low biofilm performers for Raman bands that represent nucleic acids, carbohydrates, and proteins. Our results point to a possible application of Raman spectroscopy as a fast prediction tool for biofilm formation of bacterial strains directly after isolation from the infected patient. This could help clinicians make timely and adapted therapeutic decision in future.
- ItemShifted excitation Raman difference spectroscopy as enabling technique for the analysis of animal feedstuff(Chichester [u.a.] : Wiley, 2021) Sowoidnich, Kay; Oster, Michael; Wimmers, Klaus; Maiwald, Martin; Sumpf, BerndTo achieve the best performance and health in farm animals, high-quality pellets should be applied for feeding. Raw materials used for pellet production can have a significant influence on the nutritive and physical characteristics of the final product. A comprehensive quality control of raw materials and pellets is therefore essential. Optical inspection techniques show great promise as they enable fast, simple, and non-destructive analysis. This study demonstrates the potential of shifted excitation Raman difference spectroscopy (SERDS) for inspection of intact feed pellets and their constituents. SERDS combines the ability of conventional Raman spectroscopy to obtain chemically specific information from the sample with efficient fluorescence background rejection capabilities. The latter is an essential prerequisite for the application to highly fluorescent natural samples, for example, feedstuffs. A custom dual-wavelength diode laser with two slightly shifted emission wavelengths (785.2 and 784.6 nm) as required for SERDS is used as excitation light source. Results demonstrate that Raman signals can efficiently be separated from unwanted background contributions allowing for qualitative spatially resolved analysis of chicken feed pellets. Individual constituents present at levels down to 10 g/kg were successfully detected by means of their characteristic spectral signature. This highlights the large potential of SERDS and could pave the way for future inspection of raw materials and pellets at selected points along the process chain.
- ItemSurface enhanced Raman spectroscopy-based evaluation of the membrane protein composition of the organohalide-respiring Sulfurospirillum multivorans(Chichester [u.a.] : Wiley, 2021) Cialla-May, Dana; Gadkari, Jennifer; Winterfeld, Andreea; Hübner, Uwe; Weber, Karina; Diekert, Gabriele; Schubert, Torsten; Goris, Tobias; Popp, JürgenBacteria often employ different respiratory chains that comprise membrane proteins equipped with various cofactors. Monitoring the protein inventory that is present in the cells under a given cultivation condition is often difficult and time-consuming. One example of a metabolically versatile bacterium is the microaerophilic organohalide-respiring Sulfurospirillum multivorans. Here, we used surface enhanced Raman spectroscopy (SERS) to quickly identify the cofactors involved in the respiration of S. multivorans. We cultured the organism with either tetrachloroethene (perchloroethylene, PCE), fumarate, nitrate, or oxygen as electron acceptors. Because the corresponding terminal reductases of the four different respiratory chains harbor different cofactors, specific fingerprint signals in SERS were expected. Silver nanostructures fabricated by means of electron beam lithography were coated with the membrane fractions extracted from the four S. multivorans cultivations, and SERS spectra were recorded. In the case of S. multivorans cultivated with PCE, the recorded SERS spectra were dominated by Raman peaks specific for Vitamin B12. This is attributed to the high abundance of the PCE reductive dehalogenase (PceA), the key enzyme in PCE respiration. After cultivation with oxygen, fumarate, or nitrate, no Raman spectral features of B12 were found. © 2020 The Authors. Journal of Raman Spectroscopy published by John Wiley & Sons Ltd
- ItemEstimating near-surface air temperature across Israel using a machine learning based hybrid approach(Chichester [u.a.] : Wiley, 2020) Zhou, Bin; Erell, Evyatar; Hough, Ian; Rosenblatt, Jonathan; Just, Allan C.; Novack, Victor; Kloog, ItaiRising global temperatures over the last decades have increased heat exposure among populations worldwide. An accurate estimate of the resulting impacts on human health demands temporally explicit and spatially resolved monitoring of near-surface air temperature (Ta). Neither ground-based nor satellite-borne observations can achieve this individually, but the combination of the two provides synergistic opportunities. In this study, we propose a two-stage machine learning-based hybrid model to estimate 1 × 1 km2 gridded intra-daily Ta from surface skin temperature (Ts) across the complex terrain of Israel during 2004–2016. We first applied a random forest (RF) regression model to impute missing Ts from the Moderate Resolution Imaging Spectroradiometer (MODIS) Aqua and Terra satellites, integrating Ts from the geostationary Spinning Enhanced Visible and InfraRed Imager (SEVIRI) satellite and synoptic variables from European Centre for Medium-Range Weather Forecasts' (ECMWF) ERA5 reanalysis data sets. The imputed Ts are in turn fed into the Stage 2 RF-based model to estimate Ta at the satellite overpass hours of each day. We evaluated the model's performance applying out-of-sample fivefold cross validation. Both stages of the hybrid model perform very well with out-of-sample fivefold cross validated R2 of 0.99 and 0.96, MAE of 0.42°C and 1.12°C, and RMSE of 0.65°C and 1.58°C (Stage 1: imputation of Ts, and Stage 2: estimation of Ta from Ts, respectively). The newly proposed model provides excellent computationally efficient estimation of near-surface air temperature at high resolution in both space and time, which helps further minimize exposure misclassification in epidemiological studies. © 2020 The Authors. International Journal of Climatology published by John Wiley & Sons Ltd on behalf of the Royal Meteorological Society.
- ItemA local hybrid surrogate-based finite element tearing interconnecting dual-primal method for nonsmooth random partial differential equations(Chichester [u.a.] : Wiley, 2021) Eigel, Martin; Gruhlke, RobertA domain decomposition approach for high-dimensional random partial differential equations exploiting the localization of random parameters is presented. To obtain high efficiency, surrogate models in multielement representations in the parameter space are constructed locally when possible. The method makes use of a stochastic Galerkin finite element tearing interconnecting dual-primal formulation of the underlying problem with localized representations of involved input random fields. Each local parameter space associated to a subdomain is explored by a subdivision into regions where either the parametric surrogate accuracy can be trusted or where instead one has to resort to Monte Carlo. A heuristic adaptive algorithm carries out a problem-dependent hp-refinement in a stochastic multielement sense, anisotropically enlarging the trusted surrogate region as far as possible. This results in an efficient global parameter to solution sampling scheme making use of local parametric smoothness exploration for the surrogate construction. Adequately structured problems for this scheme occur naturally when uncertainties are defined on subdomains, for example, in a multiphysics setting, or when the Karhunen–Loève expansion of a random field can be localized. The efficiency of the proposed hybrid technique is assessed with numerical benchmark problems illustrating the identification of trusted (possibly higher order) surrogate regions and nontrusted sampling regions. © 2020 The Authors. International Journal for Numerical Methods in Engineering published by John Wiley & Sons Ltd.
- Item“Surface,” “satellite” or “simulation”: Mapping intra-urban microclimate variability in a desert city(Chichester [u.a.] : Wiley, 2020) Zhou, Bin; Kaplan, Shai; Peeters, Aviva; Kloog, Itai; Erell, EvyatarMapping spatial and temporal variability of urban microclimate is pivotal for an accurate estimation of the ever-increasing exposure of urbanized humanity to global warming. This particularly concerns cities in arid/semi-arid regions which cover two fifths of the global land area and are home to more than one third of the world's population. Focusing on the desert city of Be'er Sheva Israel, we investigate the spatial and temporal patterns of urban–rural and intra-urban temperature variability by means of satellite observation, vehicular traverse measurement, and computer simulation. Our study reveals a well-developed nocturnal canopy layer urban heat island in Be'er Sheva, particularly in the winter, but a weak diurnal cool island in the mid-morning. Near surface air temperature exhibits weak urban–rural and intra-urban differences during the daytime (<1°C), despite pronounced urban surface cool islands observed in satellite images. This phenomenon, also recorded in some other desert cities, is explained by the rapid increase in surface skin temperature of exposed desert soils (in the absence of vegetation or moisture) after sunrise, while urban surfaces are heated more slowly. The study highlights differences among the three methods used for describing urban temperature variability, each of which may have different applications in fields such as urban planning, climate change mitigation, and epidemiological research. © 2019 The Authors. International Journal of Climatology published by John Wiley & Sons Ltd on behalf of the Royal Meteorological Society.