FWHM Values Research Articles

A modified orthogonal-distance ray-tracer method applied to dual rotation PET systems.

A new projector, Orthogonal-Distance Ray-tracer Varying-Full Width at Half Maximum (OD-RT-VF), was developed to model a shift-variant elliptical point-spread function (PSF) response to improve the image quality of a preclinical dual-rotation PET system. 

Approach: The OD-RT-VF projector models different FWHM values of the PSF in multiple directions, using half-height and half-width tube-of-response (ToR) values.
The OD-RT-VF method's performance was evaluated against the original OD-RT method and a ToR model with constant response. The evaluation involved simulations of NEMA NU 4-2008 image quality (IQ) and Derenzo phantoms, as well as a real mouse injected with [18F]-NaF scanned with the easyPET.3D system.

 Main results:The OD-RT-VF method demonstrated superior image resolution and uniformity (11.9% vs 15.9%) compared to the OD-RT model. In micro-derenzo phantom simulations, it resolved rods down to 1.0 mm, outperforming the other methods. For IQ phantom simulations, the OD-RT-VF projector at convergency achieved hot rods recovery coefficients ranging from 22.5% to 93.3% and lower spillover ratios in cold regions of 0.22 and 0.33 for air and water, respectively. For bone radiotracer imaging, OD-RT-VF produced clearer images of major skeletal parts, with less noise compared to OD-RT and better resolution compared to ToR projectors.

Significance: The study shows that the OD-RT-VF projector method enhances PET imaging by providing better resolution, uniformity, and image quality. This model, in addition to a list-mode and GPU-based reconstruction addressing the data sparsity of dual-rotation PET geometries, unlocks their imaging potential for small animal imaging.

Effect of Am-241 Irradiation on ZnO Crystallinity with Different Annealing Temperature

Am-241 is an alpha emitting isotope which can be used to fuel a nuclear battery via alphavoltaic effect by using a semiconductor to convert alpha radiation to electricity. The main issue of alphavoltaic battery is the radiation damage due to high energy alpha particle, resulted in a rapid decline in performance. Zinc oxide (ZnO) is known as a semiconductor with high radiation tolerance. In this study, the effect of annealing temperature to ZnO crystal was studied along with its alteration due to Am-241 irradiation overtime. The annealing temperatures were set at 450°C and 650°C. The irradiation process was carried out using Am-241 isotope for 12 days with an activity of 44.85 mCi and approximately 0.0866 MGy of absorbed dose. The crystal structure of fabricated and irradiated ZnO were investigated through X-ray Diffraction (XRD). The XRD diffraction pattern indicates that the crystal structure of ZnO is hexagonal wurtzite and still maintained after irradiation process. Raising the annealing temperature from 450°C to 650°C leads to a reduction in peak intensity. This change correlates with an increase in grain size post-irradiation. After exposure to alpha particle radiation, changes occurred in the diffraction peaks of ZnO. At 450°C annealing temperature, the intensity decreased by 94.822%, while at 650°C annealing temperature, the intensity decrease was 85.489%. This shows that increasing the annealing temperature can reduce the decrease in intensity after irradiation with alpha particles. The (002) plane shifted by 0.057˚ at 450°C annealing temperature and by 0.042˚ at 650°C after irradiation. In addition, the crystal lattice parameters increased after irradiation, which led to a change in the FWHM value and an increase in the crystal grain size.

Determination of the degree of structural heterogeneity of kaolinites by the decomposition of their IR spectra in the OH-stretching vibration region

A new approach to assessing the degree of defective structure of kaolinite minerals using their IR spectra in the region of stretching vibrations of OH groups is proposed. Three linear equations were obtained that relate the ratios of spectroscopic parameters to each other: A(v3)A(v3)+A(v2) = – 0.2177 FWHM(ν1)FWHM(ν4) + 1.247), FWHM(ν3)FWHM(ν2) = – 0.5804 FWHM(ν1)FWHM(ν4) + 2.8696), FWHM(ν3)FWHM(ν2) = 2.636 A(v3)A(v3)+A(v2), where: FWHM(νi) – full width at half maximum and A(νi) – integral intensity of Lorentz absorption bands at ν1 ~3697 cm–1, ν2 ~3670 cm–1, ν3 ~3652 cm–1 and ν4 ~3620 cm–1, respectively. These equations made it possible to establish criteria for decomposing IR spectra into individual bands, νi, and determining optimal values for the parameters FWHM(νi) and A(νi), with the help of which it is possible to calculate the contents of high ordered kaolinite, HOK, and low ordered kaolinite, LOK, phases in natural samples with an accuracy of ~5%.

Bulk Single Crystals and Physical Properties of Rutile GeO2 for High‐Power Electronics and Deep‐Ultraviolet Optoelectronics

The top‐seeded solution growth for rutile GeO2 single crystals using alkali carbonates or fluorides as flux is applied. Structural data of obtained single crystals confirm the rutile phase with a = b = 4.3966 Å and c = 2.8612 Å. The crystals with diameter of 5–15 mm are either undoped or intentionally doped with Sb5+, Sn4+, Al3+, Ga3+, and F− ions. It is found that Sb5+ is a very efficient n‐type donor enabling free electron concentration even above 1020 cm−3; thus, Sb‐doped GeO2 is a potential substrate for vertical power devices. In contrast, crystals doped with Al and Ga do not show p‐type conductivity suggested by the theory. The onset of the absorption occurs at 5.0 and 5.5 eV perpendicular and parallel to the c‐axis, respectively. Rutile GeO2 shows a very intense photoluminescence peaking at 420 nm (blue) and 520 nm (green). Raman spectra show narrow lines, in particular at high phonon energy (B1g, 170 cm−1). Prepared wafers show FWHM values of rocking curves below 30 arcsec and polishing is achieved down to RMS roughness of 0.15 nm. Transmission electron microscopy images do not show point or extended structural defects with uniform Sb distribution.

Multiple Resonance Quasi-fluorescence from BN-Doped Aromatic Compounds Modified with "Naphthalene" Units Approaches the BT.2020 Green Light Standard.

Developing fluorophores that conform to the Broadcast Service Television 2020 (BT.2020) standard presents a formidable challenge. Here, we propose an innovative approach that integrates two and three-boron/nitrogen (BN2)-embedded [4]helicene subunits with naphthalene, resulting in the synthesis of two novel narrowband bright green quasi-fluorescent emitters, NT-2B and NT-3B for ultra-high-definition displays. These emitters exhibit minimal reorganization energy and Huang-Rhys factor, emitting at 510 and 511 nm in dilute toluene solution with exceptionally narrow full width at half maximum values of 15 and 14 nm, respectively. Notably, NT-2B demonstrates an impressive photoluminescence quantum yield of 92.5 %, rapid radiative decay rate, and slow non-radiative decay rate. Owing to their narrowband emission characteristics and outstanding optoelectronic properties, corresponding OLEDs based on NT-2B demonstrate a high external quantum efficiency of 30.6 %, with an FWHM value of 21.5 nm and a CIEy of 0.74, positioning it as one of the leading narrow-band green emitters.

Multiple Resonance Quasi‐fluorescence from BN‐Doped Aromatic Compounds Modified with “Naphthalene” Units Approaches the BT.2020 Green Light Standard

AbstractDeveloping fluorophores that conform to the Broadcast Service Television 2020 (BT.2020) standard presents a formidable challenge. Here, we propose an innovative approach that integrates two and three‐boron/nitrogen (BN2)‐embedded [4]helicene subunits with naphthalene, resulting in the synthesis of two novel narrowband bright green quasi‐fluorescent emitters, NT‐2B and NT‐3B for ultra‐high‐definition displays. These emitters exhibit minimal reorganization energy and Huang–Rhys factor, emitting at 510 and 511 nm in dilute toluene solution with exceptionally narrow full width at half maximum values of 15 and 14 nm, respectively. Notably, NT‐2B demonstrates an impressive photoluminescence quantum yield of 92.5 %, rapid radiative decay rate, and slow non‐radiative decay rate. Owing to their narrowband emission characteristics and outstanding optoelectronic properties, corresponding OLEDs based on NT‐2B demonstrate a high external quantum efficiency of 30.6 %, with an FWHM value of 21.5 nm and a CIEy of 0.74, positioning it as one of the leading narrow‐band green emitters.

New readout system of the FATIMA detectors based on Silicon Photomultipliers arrays

We present a new readout system based on large area Silicon Photomultipliers arrays coupled with cylindrical 1.5” × 2” LaBr3(Ce) FATIMA-type crystals. This readout achieves the fast-timing capabilities of such crystals coupled to the usual Photomultiplier Tubes. Energy calibration was measured with 137Cs and 152Eu standard radioactive sources, while the timing performances were investigated with a 60Co radioactive source. We benchmark our results against the corresponding results obtained with the fast R9779 Photomultiplier tubes and highlight the importance of achieving similar energy and timing performances for nuclear structure experiments. The FWHM energy resolution for the 1.5” × 2” LaBr3(Ce) crystal coupled with the SiPM and PMT was found to be 3.31(2)% and 3.85(1)%, respectively, for the 661.6 keV transition of the 137Cs source. The timing resolution was measured between a conical crystal known for its fast response and a cylindrical crystal coupled to a SiPM or PMT readout. We obtain values of FWHM = 230(1) ps and 232(1) ps, respectively, between the 1173.2–1332.5 keV transitions of the 60Co source. In addition, a temperature effect compensation circuit was developed to maintain a good stability of the gain during long measurements, typical for in-beam/off-beam experiments in nuclear physics.

Synthesis, Structural Characterization, Optical Properties, and Biological Potency of Co(II), Cu(II), and Cd(II) Complexes With Heterocyclic Thiosemicarbazide Ligand: Insights From Molecular Docking Studies

ABSTRACTA novel heterocyclic thiosemicarbazide ligand, [(Z)‐N‐(2‐oxoindolin‐3‐ylidene)nicotinohydrazide] (H2L), and its Co(II), Cu(II), and Cd(II) metal chelates were synthesized and characterized using a variety of analytical methods, including elemental analysis, FT‐IR, UV–Visible spectroscopy, EI‐mass, fluorescence spectroscopy, X‐ray powder diffraction, and TGA. The structures and geometries of the complexes were determined using these methods as [Co2(H2L)2Cl2(H2O)4]·2H2O, [Cu(H2L)2Cl2(H2O)2]·2H2O, and [Cd(H2L)2Cl2(H2O)2], all having octahedral geometry. The particulate diameters for [Co2(H2L)2Cl2(H2O)4]·2H2O, [Cu(H2L)2Cl2(H2O)2]·2H2O, and [Cd(H2L)2Cl2(H2O)2] were 192.68, 68.48, and 192.74 nm, respectively using Debye–Scherrer equation and FWHM approach. The corresponding FWHM values were 0.0078, 0.0217, and 0.0075, whereas the crystal strain was calculated as (ε) = 0.0018, 0.0056, and 0.0054, and the dislocation density (δ) as 2.69 × 10−5, 2.13 × 10−4, 2.69 × 10−5 Å−2. Quantum chemical calculations for the ligand and its solid metal complexes were carried out utilizing DFT with the DMOL3 module. Furthermore, the optical sensing response of the free ligand H2L to Co(II), Cu(II), and Cd(II) ions was investigated, revealing that the presence of these metal ions enhanced the fluorescence spectra of the ligand. Additionally, the antibacterial effects of these compounds, as well as their cytotoxicity in human cancer cells, were investigated. Compared to its metal complexes, the ligand, H2L exhibits increased antibacterial activity against various bacteria. Tests on HepG‐2 and MCF‐7 cells were conducted to evaluate the compounds' anticancer efficacy against the standard, Doxorubicin. The ligand, H2L, demonstrated greater cytotoxicity against the HepG‐2 cell line than its metal complexes. Docking experiments were conducted to assess the interaction of the ligand and its complexes with HepG‐2 (PDB ID: 2OH4) and MCF‐7 (PDB ID: 3W2S) cells, using the XP glide technique and Schrödinger suite software.

Optimizing single crystal diamond mosaic growth: A study on seed thickness variation and pre-growth treatment

The limitations on the size of single-crystal diamond applications still need to be addressed for practical use. This study systematically investigates the impact of variations in seed crystal thickness and pre-growth treatments on step bonding, defect formation, and stress distribution in the mosaic growth of single-crystal diamond films. The findings suggest that variations in seed crystal thickness within 50 μm result in a smooth mosaic junction and high crystal quality, while a 100 μm variation results in noticeable defects and stress concentrations, hindering adequate bonding. Pre-growth treatment improves crystal quality by reducing polycrystalline formations and stress concentrations. Optical microscopy and Raman mapping confirm that pre-growth treated mosaic regions exhibit smooth steps and seamless bonding, with FWHM values between 3 and 5 cm−1, consistent with the quality of non-mosaic growth regions.

Growth of Al-Cu Thin Films on LiNbO3 Substrates for Surface Acoustic Wave Devices Based on Combinatorial Radio Frequency Magnetron Sputtering

Al-Cu thin films were fabricated by RF magnetron sputtering from aluminum (Al) and copper (Cu) metal targets to improve the acoustic performance of SAW devices on LiNbO3 substrates. To optimize the electrode material for SAW devices, Al-Cu films with various compositions were fabricated and their electrical, mechanical, and acoustic properties were comprehensively evaluated. The Al-Cu films exhibited a gradual decrease in resistivity with increasing Al content. The double-electrode SAW devices composed of Al-Cu films demonstrated a resonant frequency of 70 MHz and an average insertion loss of −16.1 dB, which was significantly lower than that of devices made with traditional Au or Al electrodes. Additionally, the SAW devices showed an increase in the FWHM values of the resonant frequency and a decrease in the insertion loss as the Al content in the IDT electrode decreased. These findings indicate that improving the performance of SAW devices can be achieved by reducing the density of the IDT electrodes, rather than focusing solely on their electrical characteristics.

Systematic approach for high piezoelectric AlN deposition

Aluminum nitride (AlN) is a wide band gap semiconductor with interesting piezoelectric properties for many applications, including micromechanical systems (MEMS), acoustic wave sensors or energy harvesting devices. The influence of DC reactive magnetron sputtering (DCRMS) deposition parameters on the structural, crystalline, and piezoelectric properties of AlN thin films are presented. The systematic approach of Design of Experiments (DoE) has been used to evaluate the role of magnetron power, nitrogen and argon flows on the deposition process and the film properties. Magnetron power and argon flow have resulted to be the parameters causing the most significant effects on the deposition rate. AlN films have been deposited with a high crystal quality, showing low values of FWHM (0.28) and c-axis orientation parallel oriented respect to the growth direction, as evidenced by X-ray diffraction (XRD) analysis and high-resolution transmission electron microscopy (HRTEM). These samples also showed a high piezoelectric coefficient (d33) of 5 pC/N for AlN thin films. This work highlights the importance of deposition parameters on the properties of the film and the important role that DoE play for its optimization with a minimum number of depositions.

Regional Functionalization Molecular Design Strategy: A Key to Enhancing the Efficiency of Multi-Resonance OLEDs.

Herein, we propose a regional functionalization molecular design strategy that enables independent control of distinct pivotal parameters through different molecule segments. Three novel multiple resonances thermally activated delayed fluorescence (MR-TADF) emitters A-BN, DA-BN, and A-DBN, have been successfully synthesized by integrating highly rigid and three-dimensional adamantane-containing spirofluorene units into the MR framework. These molecules form two distinctive functional parts: part 1 comprises a boron-nitrogen (BN)-MR framework with adjacent benzene and fluorene units forming a central luminescent core characterized by an exceptionally rigid planar geometry, allowing for narrow FWHM values; part 2 includes peripheral mesitylene, benzene, and adamantyl groups, creating a unique three-dimensional "umbrella-like" conformation to mitigate intermolecular interactions and suppress exciton annihilation. The resulting A-BN, DA-BN, and A-DBN exhibit remarkably narrow FWHM values ranging from 18 to 14 nm and near-unity photoluminescence quantum yields. Particularly, OLEDs based on DA-BN and A-DBN demonstrate outstanding efficiencies of 35.0 % and 34.3 %, with FWHM values as low as 22 nm and 25 nm, respectively, effectively accomplishing the integration of high color purity and high device performance.

Regional Functionalization Molecular Design Strategy: A Key to Enhancing the Efficiency of Multi‐Resonance OLEDs

AbstractHerein, we propose a regional functionalization molecular design strategy that enables independent control of distinct pivotal parameters through different molecule segments. Three novel multiple resonances thermally activated delayed fluorescence (MR‐TADF) emitters A‐BN, DA‐BN, and A‐DBN, have been successfully synthesized by integrating highly rigid and three‐dimensional adamantane‐containing spirofluorene units into the MR framework. These molecules form two distinctive functional parts: part 1 comprises a boron‐nitrogen (BN)‐MR framework with adjacent benzene and fluorene units forming a central luminescent core characterized by an exceptionally rigid planar geometry, allowing for narrow FWHM values; part 2 includes peripheral mesitylene, benzene, and adamantyl groups, creating a unique three‐dimensional “umbrella‐like” conformation to mitigate intermolecular interactions and suppress exciton annihilation. The resulting A‐BN, DA‐BN, and A‐DBN exhibit remarkably narrow FWHM values ranging from 18 to 14 nm and near‐unity photoluminescence quantum yields. Particularly, OLEDs based on DA‐BN and A‐DBN demonstrate outstanding efficiencies of 35.0 % and 34.3 %, with FWHM values as low as 22 nm and 25 nm, respectively, effectively accomplishing the integration of high color purity and high device performance.

Control polarity of gallium nitride on Si (1 1 1) using atomic layer annealing and thermal atomic layer deposition

Ga-polar GaN thin films and N-polar GaN thin films were fabricated by using thermal ALD and plasma assisted ALA processes, respectively. The polarity of GaN wurtzite thin films was determined by cross-sectional STEM analysis of as-deposited films and top-view SEM images after KOH wet-etching. The crystallinity and grain size of thermal ALD GaN were drastically increased with the GaN ALA buffer layer. The ALA Ar plasma pulse in each ALD cycle decreased the oxygen and carbon impurity content and improved the crystallinity of GaN thin films by removing organic ligands. High purity GaN thin films were successfully deposited on oxide-free Si (111) substrate by using the ALA process with 100 ms of TDMAGa with push gas, 3 × 800 ms of N2H4, and 15 s of 25 W ALA plasma pulse with −25 V stage DC bias at 275 °C. The lowest FWHM value (0.59°), smooth surface morphology (RMS=1.0 nm), and 10–20 nm grain size of columnar GaN thin films were obtained by tuning process parameters.

High-Quality Single-Step Growth of GaAs on C-Plane Sapphire by Molecular Beam

We report on the growth of high-quality GaAs semiconductor materials on an AlAs/sapphire substrate by molecular beam epitaxy. The growth of GaAs on sapphire centers on a new single-step growth technique that produces higher-quality material than a previously reported multi-step growth method. Omega-2theta scans confirmed the GaAs (111) orientation. Samples grown at 700 °C displayed the highest crystal quality with minimal defects and strain, evidenced by narrow FWHM values of the rocking curve. By varying the As/Ga flux ratio and the growth temperature, we significantly improved the quality of the GaAs layer on sapphire, as compared to that obtained in multi-step studies. Photoluminescence measurements at room temperature and 77 K further support these findings. This study underscores the critical role of the As/Ga flux ratio and growth temperature in optimizing GaAs epitaxial growth on sapphire.

Fundamental structural study of hexagonal boron nitride (h-BN) and boron nitride nanotube (BNNT) at low and high temperatures

The molecular structure stability at low and high temperature is important for an industrial application. The boron nitride-based materials, such as hexagonal boron nitride (h-BN) and boron nitride nanotubes (BNNTs), have been interested due to their high oxidation resistance and thermal stability. In this study, ex-situ and in-situ characterization techniques (e.g., Raman spectroscopy, X-ray Diffraction (XRD), and Fourier-transform infrared spectroscopy (FTIR)) were applied to investigate the structural change of BNNT and h-BN at high (up to 800 °C) and low (down to -50 °C) temperatures. The Raman spectroscopy results showed that at high temperatures (800 °C), h-BN exhibited a significant red shift under both inert and oxidizing conditions, while BNNT showed no peak shift, indicating its more stable structural resistance compared to h-BN. Both h-BN and BNNT showed no peak shift after cooling to low temperatures (-50 °C). Stability of h-BN and BNNT up to a high temperature of 800 °C was revealed from the thermogravimetric analysis (TGA) and FTIR spectroscopy results. The FTIR results also indicate that under oxidizing conditions, heating h-BN results in the formation of more hydroxyl groups compared to BNNT. The in-situ XRD results showed a greater magnitude of lower 2θ shift with increasing temperatures for h-BN compared to BNNT. Additionally, there was a more significant increase in FWHM values with respect to temperatures for h-BN than BNNT regardless of the sample under inert or oxidizing conditions. The characterization results from this study indicate that BN-based materials, especially BNNT, are suitable candidates for high temperature chemical reaction applications.

A Comparative Study of Methods for Calculating the Dislocation Density in GaN-on-Si Epitaxial Wafers.

A series of characterization methods involving high-resolution X-ray diffraction (HR-XRD), electron channel contrast imaging (ECCI), cathodoluminescence microscopy (CL), and atomic force microscopy (AFM) were applied to calculate the dislocation density of GaN-on-Si epitaxial wafers, and their performance was analyzed and evaluated. The ECCI technique, owing to its high lateral resolution, reveals dislocation distributions on material surfaces, which can visually characterize the dislocation density. While the CL technique is effective for low-density dislocations, it is difficult to accurately identify the number of dislocation clusters in CL images as the density increases. The AFM technique analyzes surface dislocation characteristics by detecting surface pits caused by dislocations, which are easily affected by sample and probe conditions. A prevalent method for assessing the crystal quality of GaN is the rocking curve of HR-XRD (ω-scan), which calculates the dislocation density based on the FWHM value of the curves. By comparing the above four dislocation characterization methods, the advantages and limitations of each method are clarified, which also verifies the applicability of DB=β29b2 for GaN-on-Si epitaxial wafers. This provides an important reference value for dislocation characterization in GaN-on-Si materials. The accuracy evaluation of dislocation density can truly and reliably reflect crystal quality, which is conducive to further optimization. Furthermore, this study can also be applied to other heterogeneous or homogeneous epitaxial materials.

Crystal structure, Raman spectroscopy and microwave dielectric properties of novel (1-x)MgGa2O4-xBaCu(B2O5) based LTCC materials

A novel series of (1-x)MgGa2O4-xBaCu(B2O5) (x = 0.1–0.5) microwave dielectric ceramics were prepared by solid phase method. By adding BaCu(B2O5) additives, the sintering temperature of MgGa2O4 ceramics was reduced from 1410 °C to 925 °C. Through an analysis of the trend in packing fraction and FWHM value of T2g Raman peak, the underlying influence mechanism of various intrinsic factors on the dielectric loss of ceramic were revealed. And the density, as the external factors, exhibits a positive correlation with the dielectric constant and Q × f value. In addition, the high bond strength of Ga-site reduces lattice distortion and consequently enhances the frequency temperature coefficient. The microwave dielectric properties of (1-x)MgGa2O4-xBaCu(B2O5) (x = 0.3) are found to be superior at a sintering temperature of 925 °C (εr = 9.42, Q × f = 35,480 GHz, τf = −22.7 ppm/°C, at 14 GHz). Moreover, the chemical compatibility of ceramics cofiring with Ag electrode makes them a highly promising substrate for microwave communications.

Raman Spectroscopy for the characterization of the macromolecular structure of Highveld coals (South Africa)

Industrial applications of coal rely on understanding its macromolecular structure, which is primarily controlled by coal type and rank. The present study assessed five (5) samples from different collieries extracting coal from the No. 4 Seam of the Highveld Coalfield and their float products, produced at relative densities (RD) of 1.7 and 1.9 g/cm3. The aim was to assess changes in maceral composition and coal quality following the density fractionation, and to use Raman Spectroscopy to compare differences in macromolecular structures between the parent samples and the float products. Raman parameters were also determined for specific macerals, i.e., semifusinite and collotelinite. Mean random vitrinite reflectance (%RoV) values for the studied coals range between 0.57 and 0.60% (medium rank D/C bituminous) and the parent coals are inertinite-rich (70.3 to 88.7 vol% mmf), enriched in semifusinite and inertodetrinite. Following density fractionation, reactive macerals (a combination of liptinite, vitrinite, and reactive semifusinite) are enriched in the float products (designated by “F”), specifically in the products obtained at the 1.7 RD. In comparison, the proportion of inert macerals is higher in the F1.9 samples. These differences in maceral composition are reflected in the Raman spectra and parameters. Although the G and D1 bands for the parent coals and F1.9 samples are similar, these bands are narrower than for the F1.7 samples, indicative of greater aromaticity. The G FWHM values for the F1.9 samples are comparable to those for the parent coal samples, and lower than for the F1.7 samples. This reflects larger differences in maceral composition between the parent coals and the F1.7 samples. In contrast, the D1 FWHM values for the float products, particularly the F1.7 samples, are slightly higher than the parent coals, reflecting a disordered aromatic character mainly related to the presence of aliphatic chains. The Raman spectra for the F1.7 samples are more like that for collotelinite. In contrast, the Raman spectra and parameters (G and D1 FWHM) for the F1.9 samples are more comparable to semifusinite. Thus, the increased aliphaticity for the F1.7 samples is attributed to the relative enrichment of reactive macerals, whereas higher aromaticity for the F1.9 samples reflects a larger proportion of inert macerals. Raman spectroscopy expanded on the petrographic data by interrogating the macromolecular structure of the isorank Highveld coals and their float products. This may assist in predicting the behaviour of the coals during industrial applications (i.e., liquefaction, gasification, combustion, and carbon fibre production).

First Detection of Outflowing Gas in the Outskirts of the Broad-line Region in 1H 0707−495* *Based on observations obtained at the Southern Astrophysical Research (SOAR) telescope, which is a joint project of the Ministério da Ciência, Tecnologia e Inovações do Brasil (MCTI/LNA), the US National Science Foundation's NOIRLab, the University of North Carolina at Chapel Hill (UNC), and Michigan State

We use near-infrared spectroscopy covering simultaneously the zJHK bands to look for outflowing gas from the nuclear environment of 1H 0707−495 taking advantage that this region is dominated by low-ionization broad-line region lines, most of them isolated. We detect broad components in H i, Fe ii, and O i, at rest to the systemic velocity, displaying FWHM values of ∼500 km s−1, consistent with its classification as a narrow-line Seyfert 1 active galactic nucleus. Moreover, most lines display a conspicuous blue-asymmetric profile, modeled using a blueshifted component, whose velocity shift reaches up to ∼826 km s−1. This last feature can be interpreted in terms of outflowing gas already observed in X-ray and UV lines in 1H 0707−495 but not detected before in the low-ionization lines. We discuss the relevance of our findings within the framework of the wind scenario already proposed for this source and suggest that the wind extends well into the narrow-line region owing to the observation of a blueshifted component in the forbidden line of [S iii] λ9531.