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Spectral Analysis

A Kereszturi, I Gyollai, Zs Kereszty, K Kiss, M Szabó, Z Szalai, M Ringer, M Veres
Correlating the Raman and infrared spectra of shocked minerals in Csátalja ordinary chondrite (H4, S2, W2) with controlling the composition by EPMA measurements, we identified and improved various shock indicators, as infrared spectro-microscopic analysis has been poorly used for shock impact alteration studies of meteorites to date. We also provide reference spectra as SOM for the community with local mineralogical and shock alteration related context to support further standardization of the IR ATR based measurements...
October 18, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Dian Su, Carl K Ng, Mehraban Khosraviani, Shang-Fan Yu, Ely Cosino, Surinder Kaur, Keyang Xu
Affinity capture liquid chromatography-mass spectrometry (LC-MS) intact antibody assay has been widely used for direct drug-to-antibody ratio (DAR) and catabolite characterization of antibody-drug conjugates (ADCs). However, the intact mass spectra of new ADCs, which incorporate new types of linkers and/or payloads other than maytansines and auristatins, are more complex than those examined previously. The current method has showed some limitations in elucidating certain structural modifications. Herein, we report an alternative analytical approach for ADCs, such as THIOMABTM antibody-drug conjugates (TDCs), where the linker-drugs are site-specifically conjugated in the Fab region...
October 25, 2016: Analytical Chemistry
Ygal Rotenstreich, Adi Tzameret, Sapir E Kalish, Ettel Bubis, Michael Belkin, Iris Moroz, Mordechai Rosner, Itay Levy, Shlomo Margel, Ifat Sher
PURPOSE: To investigate the feasibility and safety of a novel minimally invasive adjustable-depth blunt injector for pharmaceuticals delivery into the posterior segment. METHODS: Indocyanine green (ICG), sodium fluorescein and iron oxide nanoparticles (IONPs) were injected using the new injector into the extravascular spaces of the choroid (EVSC) compartment of rabbits and cadaver pig eyes. Spectral domain optical coherence tomography (SD-OCT), fundus imaging and histology analysis were performed for assessment of injection safety and efficacy...
October 25, 2016: Acta Ophthalmologica
Yunxia Wei, Yanping Chen, Xiulian Shi, Yuanyuan Zhang
We present in this paper the convergence properties of Jacobi spectral collocation method when used to approximate the solution of multidimensional nonlinear Volterra integral equation. The solution is sufficiently smooth while the source function and the kernel function are smooth. We choose the Jacobi-Gauss points associated with the multidimensional Jacobi weight function [Formula: see text] (d denotes the space dimensions) as the collocation points. The error analysis in [Formula: see text]-norm and [Formula: see text]-norm theoretically justifies the exponential convergence of spectral collocation method in multidimensional space...
2016: SpringerPlus
Kirara Yamaguchi, Toshiaki Murai, Jing-Dong Guo, Takahiro Sasamori, Norihiro Tokitoh
Solutions of 5-N-arylaminothiazoles containing pyridyl groups exhibited clear halochromism and halofluorism upon addition of Brønsted and Lewis acids. The addition of triflic acid to solutions of 5-N-arylaminothiazoles in Et2O induced bathochromic shifts of the absorption and emission bands. DFT calculations suggested that the spectral changes arise from the protonation of the pyridyl group of the thiazoles in Et2O. Single-crystal X-ray diffraction analysis of a thiazole and its protonated form revealed the change of the conformation around the thiazole ring...
October 2016: ChemistryOpen
Liqiang Ren, Di Wu, Yuhua Li, Bin Zheng, Yong Chen, Kai Yang, Hong Liu
This study presents a practical alignment method for X-ray spectral measurement in a rotating gantry based micro-computed tomography (micro-CT) system using three-dimensional (3D) printing technology. In order to facilitate the spectrometer placement inside the gantry, supporting structures including a cover and a stand were dedicatedly designed and printed using a 3D printer. According to the relative position between the spectrometer and the stand, the upright projection of the spectrometer collimator onto the stand was determined and then marked by a tungsten pinhole...
June 2016: Biomedical Physics & Engineering Express
Thabo Lapp, Antonia Hildebrand, Daniel Böhringer, Paola Kammrath Betancor, Günther Schlunck, Thomas Reinhard
PURPOSE: To evaluate the feasibility of anterior segment spectral domain optic coherence tomography (ASOCT) as rejection readout in a keratoplasty mouse model and to compare ASOCT against the current standard (i.e., a clinical score system). Furthermore, to compare both approaches with respect to intra- and inter-individual observer variability and to calculate a critical point that distinguishes between rejection and non-rejection in ASOCT analysis. METHODS: Allogeneic penetrating keratoplasties (PKs) were performed using C3H/He donor mice and BALB/c recipient mice; syngeneic transplantations served as controls using BALB/c donors and recipients...
2016: Molecular Vision
Chang Chen, Ariane Wohlfarth, Hui Xu, Dan Su, Xin Wang, Hongliang Jiang, Yulin Feng, Mingshe Zhu
A novel analytical workflow was developed and applied for the detection and identification of unknown xenobiotics in biological samples. High-resolution mass spectrometry (HRMS)-based data-independent MS(E) acquisition was employed to record full scan MS and fragment spectral datasets of test and control samples. Then, an untargeted data-mining technique, background subtraction, was utilized to find xenobiotics present only in test samples. Structural elucidation of the detected xenobiotics was accomplished by database search, spectral interpretation, and/or comparison with reference standards...
November 9, 2016: Analytica Chimica Acta
Simone Cristoni, Guglielmo Dusi, Paolo Brambilla, Adriana Albini, Matteo Conti, Maura Brambilla, Antonino Bruno, Francesca Digaudio, Luca Ferlin, Valeria Tazzari, Silvia Mengozzi, Simone Barera, Carlos Salier, Tommaso Trenti, Marco Cantu, Luigi Rossi Bernardi, Douglas M Noonan
Electrospray Ionization (EI) and Collision Induced Dissociation tandem mass spectrometry (CID-MS/MS) are usually employed to obtain compound identification through a mass spectra match. Different algorithms have been developed for this purpose (for example the NIST match algorithm). These approaches compare the tandem mass spectra (MS/MS) of the unknown analyte with the MS/MS spectra of known compounds inserted in a database. The compounds are usually identified on the basis of spectral match value associated with a probability of recognition...
October 24, 2016: Journal of Mass Spectrometry: JMS
Kun Qian, Christoph Janott, Vedhas Pandit, Zixing Zhang, Clemens Heiser, Winfried Hohenhorst, Michael Herzog, Werner Hemmert, Bjoern Schuller
OBJECTIVE: Obstructive Sleep Apnea (OSA) is a serious chronic disease and a risk factor for cardiovascular diseases. Snoring is a typical symptom of OSA patients. Knowledge of the origin of obstruction and vibration within the upper airways is essential for a targeted surgical approach. Aim of this paper is to systematically compare different acoustic features, and classifiers for their performance in the classification of the excitation location of snore sounds. METHODS: Snore sounds from 40 male patients have been recorded during Drug-Induced Sleep Endoscopy, and categorized by ENT experts...
October 21, 2016: IEEE Transactions on Bio-medical Engineering
P O'Mahoney, M Khazova, M Higlett, T Lister, S Ibbotson, E Eadie
BACKGROUND: Daylight PDT (dPDT) is an effective and nearly painless treatment for field-change actinic keratosis. Measuring the protoprophyrin-IX (PpIX)-weighted exposure dose can give an indication of when conditions are most viable for effective dPDT. It would be advantageous for practitioners if more detailed information of exposure dose and appropriate treatment conditions were available. Where sophisticated measurement equipment is unavailable, simpler and more cost-effective methods of dose measurement are desirable...
October 24, 2016: British Journal of Dermatology
Nuria A Illán-Cabeza, Sonia B Jiménez-Pulido, Francisco Hueso-Ureña, Tomás Peña-Ruiz, Miguel Quirós-Olozábal, Miguel N Moreno-Carretero
2,4-Bis(1,3,7-trimethyl-pteridine-2,4(1H,3H)-dione-6-yl)-2,3-dihydro-2-methyl-1H-1,5-benzodiazepine (DLMBZD) has been prepared and its molecular and crystal structures have been determined from spectral and XRD data. The benzodiazepine ligand was reacted with zinc(ii), cadmium(ii) and mercury(ii) chloride, bromide and iodide to give complexes with general formula [M(DLMBZD)X2]. The complexes have been synthesized and characterized by IR, NMR and elemental analysis. The structure of seven complexes has been obtained by single crystal X-ray diffraction...
October 24, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Eugenio Ivorra, Samuel Verdu, Antonio J Sánchez, Raúl Grau, José M Barat
A technique that combines the spatial resolution of a 3D structured-light (SL) imaging system with the spectral analysis of a hyperspectral short-wave near infrared system was developed for freshness predictions of gilthead sea bream on the first storage days (Days 0-6). This novel approach allows the hyperspectral analysis of very specific fish areas, which provides more information for freshness estimations. The SL system obtains a 3D reconstruction of fish, and an automatic method locates gilthead's pupils and irises...
October 19, 2016: Sensors
Chunxia Peng, Wei Wang, Quangang Xu, Mo Yang, Huangfen Zhou, Shuo Zhao, Shihui Wei
PURPOSE: The aim of this study was to evaluate the differences between macular inner retinal layers and peripapillary retinal nerve fibre layer (pRNFL) thickness in Chinese patients with neuromyelitis spectrum optic neuritis (NMOSD-ON) and isolated optic neuritis (ION) with only one episode. METHODS: This cross-sectional study included 35 patients (35 eyes) with NMOSD-ON (NMO-IgG seropositive) and 46 patients (46 eyes) with ION after one episode. Spectral domain optical coherence tomography (SD-OCT) was used to quantify pRNFL, macular RNFL (mRNFL), ganglion cell and inner plexiform layers (GCIPL) and inner nuclear layer (INL) thickness using an automated algorithm...
October 24, 2016: Acta Ophthalmologica
Stela Vujosevic, Tommaso Torresin, Silvia Bini, Enrica Convento, Elisabetta Pilotto, Raffaele Parrozzani, Edoardo Midena
PURPOSE: To evaluate changes of specific retinal imaging biomarkers [intraretinal hyper-reflective retinal spots: HRS ; subfoveal neuroretinal detachment: SND; and increased foveal autofluorescence: IFAF after intravitreal steroid or anti-vascular endothelial growth factor treatment in diabetic macular oedema (DME)] as possible indicators of retinal inflammatory condition. METHODS: Retrospective analysis of images and clinical charts of 49 eyes (49 patients) with DME treated with intravitreal dexamethasone (dexamethasone, 23 eyes) or intravitreal ranibizumab (ranibizumab, 26 eyes)...
October 24, 2016: Acta Ophthalmologica
Stefano Strano, Alessandra Fanciulli, Massimiliano Rizzo, Paolo Marinelli, Paolo Palange, Dorina Tiple, Giuseppe De Vincentis, Giovanni Calcagnini, Federica Censi, Giuseppe Meco, Carlo Colosimo
BACKGROUND: The clinical presentation of Parkinson's disease (PD) includes a wide spectrum of non-motor features, including cardiovascular autonomic failure. OBJECTIVE: To evaluate cardiovascular autonomic status and cardiac functional capacity in drug-naïve PD patients. METHODS: 18 newly-diagnosed PD patients underwent laboratory cardiovascular autonomic function tests using power spectral analysis of the R-R interval, blood pressure (BP) short-term variability and non-invasive baroreflex sensitivity (BRS)...
November 15, 2016: Journal of the Neurological Sciences
Michel van Lint, Kristien Hoornaert, Marcel P M Ten Tusscher
PURPOSE: Two Caucasian Belgian families were diagnosed with autosomal recessive spastic ataxia of Charlevoix-Saguenay (ARSACS). The ophthalmological findings in both ARSACS disease and carriers are described. METHODS: In addition to a complete ophthalmological assessment, in both patients and carriers, spectral-domain Optical Coherence Tomography scans of the peri-papillary retinal nerve fiber layer were performed. RESULTS: Molecular analysis revealed a missense mutation which has not been reported before...
November 15, 2016: Journal of the Neurological Sciences
P Zeman
Tick-borne encephalitis (TBE) is peculiar due to its unstable dynamics with profound inter-annual fluctuations in case numbers - a phenomenon not well understood to date. Possible reasons - apart from variable human contact with TBE foci - include external factors, e.g. climatic forcing, autonomous oscillations of the disease system itself, or a combined action of both. Spectral analysis of TBE data from six regions of central Europe (CE) revealed that the ostensibly chaotic dynamics can be explained in terms of four superposed (quasi-)periodical oscillations: a quasi-biennial, triennial, pentennial, and a decadal cycle...
October 24, 2016: Epidemiology and Infection
R Tafer, M Sleiman, A Boulkamh, C Richard
The photolysis of aqueous 5-chlorosalicylic acid (ClSA) and dihydroxybenzoic acid (DHBA), its main photoproduct, was studied to determine the extent of degradation caused by simulated solar light. Photoproducts identification was achieved using high resolution LC-MS and GC-MS. About 40 photoproducts from C19 to C1 were characterized, including a dihydroxycyclopentadienic acid, a ring contraction photoproduct, and numerous carbonyls and carboxylic acid derivatives that were detected thanks to derivatization...
October 15, 2016: Water Research
Allison C Nugent, Bruce Luber, Frederick W Carver, Stephen E Robinson, Richard Coppola, Carlos A Zarate
Recently, independent components analysis (ICA) of resting state magnetoencephalography (MEG) recordings has revealed resting state networks (RSNs) that exhibit fluctuations of band-limited power envelopes. Most of the work in this area has concentrated on networks derived from the power envelope of beta bandpass-filtered data. Although research has demonstrated that most networks show maximal correlation in the beta band, little is known about how spatial patterns of correlations may differ across frequencies...
October 22, 2016: Human Brain Mapping
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