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1

Nawrath, Pavel. "Forenzní analýza půdy metodami FTIR a NIR s multivariační analýzou." Master's thesis, Vysoké učení technické v Brně. Fakulta chemická, 2020. http://www.nusl.cz/ntk/nusl-413556.

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This diploma thesis is about forensic multivariate soil analysis in the localities Ostrava and Třinec. A total of 52 samples were taken in the areas near metallurgical companies. These samples were measured for concentrations of chromium, manganese, copper, nickel, lead, mercury and zinc. Mercury concentration was analysed using AMA 254 device. The remaining metals were determined by flame atomic absorption spectrometry (F–AAS). Additionally, IR spectra were acquired by Fourier transform infrared spectroscopy (FTIR) using diffusion reflectance technique (DRIFT). In the end the results were used to create correlation models and statistical models of PCA (principal component analysis) methods with CA (correlation analysis).
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2

TEGEGN, DAGMAWI DELELEGN. "Process of analyzing organic materials, based on processing of near infrared spectra through advanced methods." Doctoral thesis, Università degli Studi di Milano-Bicocca, 2023. https://hdl.handle.net/10281/404832.

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La spettroscopia nel vicino infrarosso è una tecnica abbastanza sviluppata che continua a dimostrare progressi costanti. Questo grazie agli sviluppi di nuovi spettrometri miniaturizzati d'avanguardia. Questi spettrometri possono generare rapidamente un volume elevato di dati spettrali, richiedendo metodologie avanzate come intelligenza artificiale, big data e deep learning per decifrare il contenuto nascosto di questi dati spettrali. Questa ricerca sperimentale si concentra su uno spettrometro miniaturizzato basato sulla tecnologia MEMS e sulla sua applicazione in vari campi. Dimostriamo che lo sviluppo di modelli NIR può essere impegnativo a seconda del campo applicativo. Mostriamo il caso d'uso di questa tecnologia nell'area di Healhcare e nell'industria (alimentare). Piante e Frutti sono stati oggetto delle nostre ricerche, come il Pothos e l'arancia. Anche le polveri organiche hanno trovato applicazione nella nostra ricerca. Inoltre, estendiamo la nostra ricerca sperimentale sul benessere degli animali, in particolare negli allevamenti di bovini da latte. Abbiamo utilizzato metodologie avanzate in casi d'uso specifici. Abbiamo applicato 1D-CNN per la previsione delle quantità di contenuto di materiali organici in miscele di polvere organica in cui è stato raccolto un volume elevato di dati o un modello VAE per prevedere le condizioni dell'acqua come rilevamento di un'anomalia del benessere della pianta Pothos. Mostriamo l'analisi degli spettri e gli approcci di preelaborazione per rimuovere gli artefatti del segnale. Implementiamo diversi metodi di preelaborazione efficaci: metodi di ridimensionamento, derivate spettrali e il filtro Savitsky Golay. Presentiamo i risultati di diversi metodi di ridimensionamento e trasformazione dei dati utilizzando una rete neurale convoluzionale.<br>Near-infrared spectroscopy is a mature technique continuing to demonstrate steady progress. This is thanks to cutting-edge developments of new handheld spectrometers. These spectrometers can quickly generate a high volume of spectral data, requiring advanced methodologies such as artificial intelligence, big data, and deep learning to decipher the hidden content of the spectral data. This experimental research focuses on a handheld spectrometer based on MEMS technology and its application in various fields. We show that developing NIR models can be challenging upon application. We show the use case of this technology in the healthcare area and the industry (food). Plants and Fruits have been subjected to our research, such as Pothos and orange fruit. Organic powders have also found an application in our research. Furthermore, we extend our experimental research into animal wellness, particularly in dairy cow farms. We used advanced methodologies in specific use cases. We applied 1D-CNN when predicting quantities of content in mixtures of organic powder where a high volume of data was collected or a VAE model to predict water conditions as a health anomaly detection in the Pothos plant. We show spectra analysis and preprocessing approaches to remove signal artifacts. We implement different effective preprocessing methods: scaling methods, spectral derivatives, and the Savitsky Golay filter. We present the results of different data scaling and transformation methods using a convolutional neural network.
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3

Richard, Cyril. "Spectroscopie électronique et effet zeeman dans le radical NiH." Phd thesis, Université Claude Bernard - Lyon I, 2010. http://tel.archives-ouvertes.fr/tel-00595685.

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Cette thèse s'appuie sur la spectroscopie de NiH établie à la fin des années 1980 et au début des années 1990, principalement par le groupe du Pr. R. W. Field au MIT. Les mesures expérimentales ont amélioré de manière significative les travaux antérieurs, tant en spectroscopie en champ nul qu'en spectroscopie Zeeman. Le radical NiH est obtenu avec une source à décharge à température ambiante (310 K). Les radicaux formés dans la décharge sont excités par un laser continu à colorant et étudiés soit en spectroscopie d'excitation laser soit en fluorescence dispersée. Un circuit magnétique à aimants permanents (NdFeB) fournit un champ magnétique statique (0.4 - 0.9 T). En champ nul, les spectres de fluorescence par transformée de Fourier ont élargi les observations de l'état électronique fondamental jusqu'à 6000 cm-1, pour 58NiH et 60NiH. Les énergies sont modélisées avec un Hamiltonien effectif obtenu à partir du formalisme du modèle du 3d9 supermultiplet développé par le groupe de Field. Les mesures Zeeman se sont principalement concentrées sur l'étude des états Ω=3/2. Les facteurs de Landé effectifs ont été déterminés pour chaque niveau ro-vibrationnel pour les états de basse énergie et les états excités de 58NiH. L'inhabituelle dépendance en J des facteurs de Landé obtenus pour les états de basse énergie est expliquée par le modèle du supermultiplet, quantifiant alors l'ampleur des mélanges spin-orbite présents dans les états inférieurs. Les transitions étudiées ont un intérêt astrophysique depuis que plusieurs transitions d'hydrure métallique ont été observées dans les spectres d'étoiles froides et les taches solaires.
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4

Yoon, Weng Li. "Transferability of near infra-red spectra for the identification of pharmaceuticals." Thesis, University College London (University of London), 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.311894.

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5

Laroussi-Mezghani, Sonda. "Biodiversité des huiles d'olive vierges tunisiennes : valorisation à travers une démarche de qualité (Tunolival)." Electronic Thesis or Diss., Aix-Marseille, 2015. http://www.theses.fr/2015AIXM4393.

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Dans un objectif de valorisation des huiles d’olive tunisiennes, les huiles de huit variétés autochtones : Chemchali, Chemlali Sfax, Chemlali Zarzis, Chétoui, Oueslati, Sayali, Zalmati et Zarrazi ont été étudiées et caractérisées par des techniques spectroscopique et chromatographique en tenant compte de leurs composés mineurs (acides gras mineurs, squalène, phénols totaux et α-, β- et γ-tocophérols). Une banque de données à été créé à partir des analyses de la composition en acides gras et des spectres proche infrarouge de 516 échantillons d’huiles d’olive vierges. Quatre outils d’authentification de l’origine variétale, basés sur l’utilisation des approches statistiques et chimiométriques associées aux données chromatographiques et spectrales, ont été élaborés<br>In order to valorize the Tunisian olive oil production, eight autochthonous oil varieties (Chemchali, Chemlali Sfax, Chemlali Zarzis, Chétoui, Oueslati, Sayali, Zalmati and Zarrazi) were characterized by chromatographic and vibrational spectroscopy approaches. Fatty acid, squalene and near infrared spectra were analyzed in 516 samples which were used to create the data bank. Four origin varietal authentication tools were established using statistic and chemometric fatty acid treatment, NIR Spectra and olive oil minor fraction (minor fatty acids, squalene, totals phenols and α, β and γ-tocopherols)
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6

Laroussi-Mezghani, Sonda. "Biodiversité des huiles d'olive vierges tunisiennes : valorisation à travers une démarche de qualité (Tunolival)." Thesis, Aix-Marseille, 2015. http://www.theses.fr/2015AIXM4393.

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Dans un objectif de valorisation des huiles d’olive tunisiennes, les huiles de huit variétés autochtones : Chemchali, Chemlali Sfax, Chemlali Zarzis, Chétoui, Oueslati, Sayali, Zalmati et Zarrazi ont été étudiées et caractérisées par des techniques spectroscopique et chromatographique en tenant compte de leurs composés mineurs (acides gras mineurs, squalène, phénols totaux et α-, β- et γ-tocophérols). Une banque de données à été créé à partir des analyses de la composition en acides gras et des spectres proche infrarouge de 516 échantillons d’huiles d’olive vierges. Quatre outils d’authentification de l’origine variétale, basés sur l’utilisation des approches statistiques et chimiométriques associées aux données chromatographiques et spectrales, ont été élaborés<br>In order to valorize the Tunisian olive oil production, eight autochthonous oil varieties (Chemchali, Chemlali Sfax, Chemlali Zarzis, Chétoui, Oueslati, Sayali, Zalmati and Zarrazi) were characterized by chromatographic and vibrational spectroscopy approaches. Fatty acid, squalene and near infrared spectra were analyzed in 516 samples which were used to create the data bank. Four origin varietal authentication tools were established using statistic and chemometric fatty acid treatment, NIR Spectra and olive oil minor fraction (minor fatty acids, squalene, totals phenols and α, β and γ-tocopherols)
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7

Schmidt-Grund, Rüdiger, Christian Kranert, Tammo Böntgen, Wenckstern Holger von, Hannes Krauß, and Marius Grundmann. "Dielectric function in the NIR-VUV spectral range of (InxGa1-x)2O3 thin films." American Institute of Physics, 2014. https://ul.qucosa.de/id/qucosa%3A31191.

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We determined the dielectric function of the alloy system (InxGa1−x)2O3 by spectroscopic ellipsometry in the wide spectral range from 0.5 eV to 8.5 eV and for In contents ranging from x = 0.02 to x = 0.61. The predicted optical transitions for binary, monoclinic β-Ga2O3, and cubic bcc-In2O3 are well reflected by the change of the dielectric functions’ lineshape as a function of the In content. In an intermediate composition range with phase-separated material (x ≈ 0.3…0.4), the lineshape differs considerably, which we assign to the presence of the high-pressure rhombohedral InGaO3-II phase, which we also observe in Raman experiments in this range. By model analysis of the dielectric function, we derived spectra of the refractive index and the absorption coefficient and energy parameters of electronic band-band transitions. We discuss the sub-band gap absorption tail in relation to the influence of the In 4d orbitals on the valence bands. The data presented here provide a basis for a deeper understanding of the electronic properties of this technologically important material system and may be useful for device engineering.
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8

Piecuch, Scott. "A Fast NIR Spectrometer for Examining Explosive Events: Emission of PETN Based Explosives and H₂O Absorption Method Feasibility." [Milwaukee, Wis.] : e-Publications@Marquette, 2009. http://epublications.marquette.edu/theses_open/13.

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9

Le, Mouélic Stéphane. "Minéralogie de la Lune étudiée par spectro-imagerie visible et proche infrarouge : Apport des données NIR de la sonde Clementine." Phd thesis, Université Paris Sud - Paris XI, 2000. http://tel.archives-ouvertes.fr/tel-00448505.

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Cette thèse est consacrée à l'analyse des données multispectrales de la caméra infrarouge NIR de la sonde Clementine. La Lune est le seul corps planétaire pour lequel on dispose à la fois d'une vérité terrain (échantillons lunaires) et de données de télédétection globales non perturbées par une atmosphère. C'est donc le cas le plus favorable pour tester et valider des méthodes de télédétection, ces méthodes pouvant ensuite être extrapolées à d'autres corps du système solaire. Les données NIR, bien que dans le domaine public depuis 1995, n'avaient jamais été exploitées auparavant du fait de problèmes majeurs d'étalonnage. La première partie de ce travail a consisté à s'affranchir des problèmes d'étalonnage, donnant ainsi accès à des observations inédites couvrant la totalité de la surface lunaire. Ces observations ont ensuite été mises à profit pour aborder les problèmes de l'identification des minéraux et de l'extrapolation de la connaissance de quelques sites à l'ensemble du satellite. Des zones riches en olivine, minéral associé au manteau lunaire et rarement détecté en surface, ont été mises en évidence dans les régions des cratères Aristarchus et Copernicus. L'analyse systématique des propriétés spectrales et chimiques d'échantillons lunaires représentatifs, couplée aux données NIR, a ensuite permis de mettre en place une méthode de cartographie quantitative de la teneur en fer des sols observés, clarifiant ainsi le lien entre information spectrale et chimique. Cette méthode permet de discriminer entre les effets de composition et les effets d'altération de la surface suite aux impacts de micrométéorites et de particules du vent solaire. L'expérience acquise dans le cas lunaire est directement transposable à l'étude d'autres surfaces rocheuses sans atmosphère (cas de Mercure et des astéroïdes), et représente un premier pas vers le cas plus difficile de Mars (présence d'une atmosphère)
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10

Le, Mouëlic Stéphane. "Mineralogie de la lune etudiee par spectro-imagerie visible et proche infrarouge : apport des donnees nir de la sonde clementine." Paris 11, 2000. http://www.theses.fr/2000PA112230.

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La lune est le seul corps planetaire pour lequel on dispose a la fois d'echantillons et de donnees de teledetection globales non perturbees par une atmosphere. C'est donc un cas ideal pour tester et valider des methodes d'analyse de donnees de teledetection, ces methodes pouvant ensuite etre extrapolees a d'autres corps du systeme solaire. Cette these est basee principalement sur les donnees multi-spectrales de la camera infrarouge nir de la sonde clementine. Ces donnees, bien que dans le domaine publique depuis 1995, n'avaient jamais ete exploitees auparavant du fait de problemes majeurs d'etalonnage. La premiere partie du travail a consiste a s'affranchir des problemes d'etalonnage, permettant ainsi d'acceder a des observations inedites de la lune. Ces observations ont ensuite ete mises a profit pour aborder les problemes de l'identification des mineraux et de l'extrapolation de la connaissance de quelques sites a l'ensemble du satellite. Des zones riches en olivine, mineral associe au manteau lunaire et rarement detecte en surface, ont ete mises en evidence dans les regions des crateres aristarchus et copernicus. L'analyse des proprietes spectrales et chimiques d'echantillons lunaires representatifs, couplee aux donnees nir, a egalement permis de mettre en place une methode de cartographie de la teneur en fer des sols observes. Cette methode s'affranchit de l'ambiguite existant entre les effets de composition et les effets d'alteration (due aux impacts de micrometeorites et de particules du vent solaire). L'experience acquise dans le cas lunaire pourra etre directement transposee a l'etude de la mineralogie de mercure ou des asteroides, et represente un premier pas vers le cas plus difficile de mars (presence d'une atmosphere).
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11

Mathen, J. J., A. J. Augustine, J. Sebastian, J. Madhavan, and G. P. Joseph. "Synthesis and Characterization of Polyethylene Vinyl Acetate / ZnSe Nanocomposite." Thesis, Sumy State University, 2013. http://essuir.sumdu.edu.ua/handle/123456789/35635.

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In the not too distant past, polymer scientists and technologists expanded their horizons from consum-er products to the high technology arena, particularly notable in opto - electronic applications. Ethylene Vinyl Acetates (EVA) are popular because of their superior adhesion to most substrates as well as their ease of formulation. Its High transparency is a key attribute for photovoltaic cell encapsulation. It is ex-pected that with the addition of ZnSe nano fillers, EVA becomes a high refractive index polymer (HRIP) with refractive index 2.5 and posses anti-reflective property. In this work, ZnSe nanoparticles were syn-thesised by solvo-thermal method. Nano – Composite matrices based on polyethylene vinyl acetate / ZnSe were prepared by chemical replacement mechanism. Refractive index of prepared polymer nanocomposites were calculated from dielectric study using Hioki 3532-50 LCR HITESTER at various frequencies and temperatures. The presence of nano filler enhanced the refractive index and it varied with frequency and temperature. UV-Vis-NIR Spectra of the samples enable to determine the bandgap and was found to de-crease with increasing the concentration of nano fillers dispersed in polymer matrix. I-V characteristics of the nanocomposites were plotted at various concentrations of nano fillers and at various temperatures. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35635
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12

Dianu, Rares Dianu Rareş. "Sur le spectre des tores pointés /." [S.l.] : [s.n.], 2000. http://library.epfl.ch/theses/?nr=2263.

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13

Cieliebak, Kai. "Symplectic boundaries : closed characteristics and action spectra /." [S.l.] : [s.n.], 1996. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=11610.

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14

Umari, Paolo. "Raman spectra of disordered oxides from first principles /." [S.l.] : [s.n.], 2003. http://library.epfl.ch/theses/?display=detail&nr=2774.

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15

Surchat, Daniel. "Infinite de valeurs propres sous le spectre essentiel du laplacien d'un graphe /." [S.l.] : [s.n.], 1993. http://library.epfl.ch/theses/?nr=1172.

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16

Huang, Wen-Ying. "The total luminescence spectra of chlorin and isobacteriochlorin at low temperatures /." [S.l.] : [s.n.], 1994. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=10461.

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17

Wallenborn, Ernst-Udo. "Microscopic analysis of the spectra of aromatic guests in alkane hosts /." [S.l.] : [s.n.], 1999. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=13154.

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18

Morel, Samy. "Calcul des opacités de plasmas denses : éclatement du spectre dû aux interactions électroniques dans le cas du fer /." [S.l.] : [s.n.], 1994. http://library.epfl.ch/theses/?nr=1232.

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19

Galius, Veniamin. "Automated assignment of amide resonances in NMR spectra of proteins with known crystal structure /." [S.l.] : [s.n.], 2008. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=18043.

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20

Vítová, Hana. "Neinvazivní měření glukózy v krvi." Master's thesis, Vysoké učení technické v Brně. Fakulta elektrotechniky a komunikačních technologií, 2012. http://www.nusl.cz/ntk/nusl-219498.

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Goal of my master´s thesis is examination of non-invasive blood glucose measurement methods, and designing of device for non-invasive blood glucose reading. The introductory chapter of thesis contains description of know different methods for blood glucose measurement, mainly Near Infra-Red region (NIR) measurement with spectroscopy methods. This project describes pathology of Diabetes Mellitus, specifies how it is divided, and looks also on human metabolism. The theoretical part contains exploration of blood glucose measurement methods. Thesis continues with system scheme design for non/invasive glucose measurement device, based on present knowledge. Major principle of device is measuring with Infra-Red laser, bifurcate optic fiber and photodiode. Design of printed circuit board is also present. Document contains also designs of software diagrams for calibration and processing program written in C# language. Communication between device and computer is made via USB. Microcontroller with C language program is part of designed device. It is used to send measured values into PC and also receives data from computer. This data determines blood glucose concentration and their thresholds.
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21

Partl, Michal. "Total fluorenscence spectra of resorufin and anthracene : applications of singular-value decomposition in total luminescence spectroscopy /." Zürich, 1994. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=10785.

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22

Peter, Christine. "A critical analysis of various aspects of biomolecular simulation : from electrostatic forces, NMR spectra, and entropy to peptide folding /." [S.l.] : [s.n.], 2003. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=15160.

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23

Shaw-Taberlet, Jennifer. "DISPOSITIFS MOLECULAIRES FONCTIONNELS A BASE ORGANOMETALLIQUE." Phd thesis, Université Rennes 1, 2006. http://tel.archives-ouvertes.fr/tel-00116762.

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Chapter 1.<br />1-Ethynyl-2-phenyltetramethyldisilanes HCºCSiMe2SiMe2C6H4-p-X [X = NMe2(1.1), Me (1.2), H (1.3), Br (1.4), CF3 (1.5)] are accessible from ClSiMe2SiMe2Cl, BrMgC6H4X and HCºCMgBr in a two step Grignard reaction. The crystal structure of 1.1 as determined by single crystal X-ray crystallography exhibits a nearly planar PhNMe2 moiety and an unusual gauche array of the phenyl and the acetylene group with respect to rotation around the Si-Si-bond. Full geometry optimization (B3LYP/6- 31+G**) of the gas phase structures of 1.1 and 1.3 affords minima for the gauche and the trans rotational isomers, both being very close in energy with a rotational barrier of only 3 – 5 kJ/mol. Experimental and calculated (time-dependent DFT B3LYP/TZVP) UV absorption data of 1.1 – 1.5 show pronounced electronic interactions of the HCºC- and the C6H4X p-systems with the central Si-Si bond.<br /><br />Chapter 2.<br />A family of [( 5-Cp*)Ru( 6-arene)]+ (Cp* = C5Me5) sandwich complexes of 1- and 1,4-substituted phenyl and naphthyl systems are described along with the regioselectivities of the reactions under various conditions. Finally, the (h 5-Cp*) Ru+ arenophile was found to act as a gate to the flow of electrons between para-substituted termini. When it is complexed onto the phenyl or A naphthyl ring, the gate is closed. On the contrary, when it is complexed onto the B naphthyl ring, the gate is open.<br /><br />Chapter 3.<br />Regioselective complexation reactions of the organoiron acetylide derivatives (h 2- dppe)(h 5-Cp*)Fe-C C-Ar (Ar = phenyl, 1-naphthyl; dppe = 1,2- bis(diphenylphosphino)ethane) with [(h 5-Cp*Ru(CH3CN)3][PF6] to afford heterobimetallic complexes formulated as [(h 2-dppe)(h 5-Cp*)Fe-C C-{(h 6-Ar)Ru(h 5- Cp*)}][PF6], were achieved. In the case of the FeII-RuII 1-naphthyl derivative, the (h 5-Cp*)Ru+ arenophile was complexed both onto the substituted ring and free rings of the acetylide 1-naphthyl linker. The first redox-driven h 6-h 6 inter-ring haptotropic migration of the (h 5-Cp*)Ru+ moeity was shown to occur. Crystal structures of all of the seven new iron acetylenes were resolved, including both haptotropomers of the naphthyl compound.<br /><br />Chapter 4.<br />The diorganoiron [{(h2-dpppe)(h5-Cp*)Fe-CC-}2(1,4-naphthyl)] (4.12) was synthesized in good yield in two steps via the vinylidene, and oxidation led to the mixed valence (MV) and iron(III)-iron(III) species in good to excellent yields. This exhaustive empirical study on the family of complexes 4.12[PF6]n (n = 0,1,2) includes a crystal structure for the case in which n = 2. This work clearly establishes good electronic and magnetic communication between the iron centers across the bis(ethynyl)naphthalene bridge. All empirical measurements of these naphthyl compounds reveal that their properties fall between those of known phenyl and anthracenyl derivatives. In some cases, the naphthyl derivative behaves as an average of the phenyl and anthracenyl complexes. For example, the comproportionation constant of the naphthyl species falls at the midpoint between those for the phenyl and anthracenyl compounds. The same is true for the UV absorption maxima in all three oxidation states (Fe[II]- Fe[II], MV, and Fe[III]- Fe[III]). The large electronic (2043 cm-1) and magnetic (-526 cm-1) coupling constants were determined via NIR spectroscopy and SQUID magnetometry, respectively. As for the heterotrinuclear species, the iron(II) acetylene, 4.14B[PF6] [{Cp*(dppe)Fe-C C}2-(h 6 – [1,4-napthyl])RuCp*](PF6), [Cp* = h 5 - C5Me5; Fe = FeII] was prepared in high yields with an adapted, regioselective synthesis via the trinuclear vinylidene. Complete characterization, including a crystal structure, of this sandwich complex reveals that the arenophile perturbs the organoiron ligand more in the bis(iron) than in the previously reported mono(iron) case.
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Wu, Chih-Hung, and 吳志宏. "Standardization of NIR Spectra between Different Instruments by Support Vector Machines." Thesis, 2008. http://ndltd.ncl.edu.tw/handle/59374370396724012833.

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碩士<br>國立臺灣大學<br>生物產業機電工程學研究所<br>96<br>Recently, due to the advance of the Near Infrared technology, the relationships between NIR spectra and various components of materials have been established and generally used in industrial and academic areas. The differences of spectra among different spectrophotometers prevent the effective utilization of existed calibration models and database; however, the above-mentioned drawback can be overcome by spectral standardization. In the study, apart from the linear spectral standardization methods, such as Piecewise Direct Standardization (PDS), a non-linear method, Support Vector Standardization (SVS) which was developed based on Support Vector Regression (SVR) from statistical learning theory, was used. Support Vector Standardization can deal with the non-linear spectral differences among different spectrophotometers more effectively than conventional methods.   The development of calibration models in this study used the non-linear method Least Squares Support Vector Regression (LS-SVS) to obtain the better results of prediction. In order to verify the standardization capabilities of SVS, this study used two spectral data sets: the first set was the standard spectral data set available in the literature, which used to compare the past commonly used method PDS with SVS on standardization capabilities; the second one was the spectral data set of powder samples experimented in this study, which used to investigate the spectral differences made from different spectrophotometers in practice, in which the same instrument configuration equipped different module and different instrument configurations were used. In judging the standardization capabilities of PDS and SVS, the Spectral Reconstruction Error (SRE) for spectral reconstruction capability and prediction errors for prediction capability were adopted after standardization procedures.   As results showed, the calibration models developed by LS-SVR gained good prediction; and after standardization, SVS had better spectral reconstruction and prediction capability than those by PDS. In the case of same instrument configuration equipped different module with powder samples, the prediction result of calibration model developed by LS-SVR, the Relative Standardization Error of Calibration (RSEC) and the Relative Standardization Error of Prediction (RSEP) were 4.390% and 8.638% respectively. In the results of spectral reconstruction capability, the SRE by using PDS for calibration and prediction sets were 0.0339 and 0.0451 respectively; and when using SVS, SRE errors were 0.0205 and 0.0245 for calibration and prediction. Comparing with unstandardization case, SRE errors were 0.5299 and 0.5227. It was obvious that the SRE errors were reduced substantially after standardization; and SVS had better performance than PDS did. Regarding the results of prediction capability, before standardization, the RSEC and RSEP were 134.840% and 123.670% respectively; the RSEC and RSEP were 42.355% and 22.485% after using PDS, and they were 18.061% and 21.441% after using SVS. After standardization, RSEC and RSEP errors were reduced extensively and SVS gave better results than PDS did.
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25

Huang, Gao-yu, and 黃高御. "Using UV/VIS/NIR absorption spectra establish CdS thin film process real-time automatic monitoring and control system of CIGS thin-film solar cell." Thesis, 2014. http://ndltd.ncl.edu.tw/handle/80992565712228971331.

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碩士<br>國立中央大學<br>環境工程研究所<br>102<br>Thickness of the cadmium sulfide (CdS) thin films is relation with the photoelectric conversion efficiency of CIGS thin-film solar cell. The reactant’s concentration, reaction solution’s temperature and the pH value is influence CdS thin films grown, resulting in process stability is not high and product yield is major changes. In this study, according to UV/VIS/NIR absorption spectra of theory , analyze the concentration of each substance use by every five minutes and three hours of continuous scanning spectral information, due to the absorption peak of thiourea , ammonia and cadmium acetate will overlap each other, resulting in the absorption will be increase in absorbance wavelength , concentration of various substances ,who can’t directly to analysis by the coefficient. Therefore, in this study to establish program solver concentration of each substance estimation model through the absorption wavelength, include to the main absorption wavelength, three wavelengths who is in front of the main absorption wavelength and three wavelengths who is after the main absorption wavelength at the substance overlapping bands by using program solver method. But in the process of CdS formation reaction , ammonia have the characteristics of volatile, in the course of the reaction, the concentration of ammonia is changes by the characteristics of volatile and the consumed of reaction, therefore, estimate the ammonia concentration by using program solver have to deducted consumption of volatilization, and cadmium sulfide generation will cause the absorption be increase in each material’s absorbance wavelength, therefore, bring in CdS to program solver variables. However, the total generate cadmium sulfide of the model’s estimation still have the error with the actual amount of cadmium sulfide, but compared to the real plant processes use to the massive of the solution, the estimation model use to the real plant certain feasibility, in the manufacturing process of the real plant, the cadmium sulfide who on the glass wall of the beaker is regard to the amount of cadmium sulfide as real process plant on a substrate, then the fixed board size that can be learned on the thickness of CdS films adsorbed on the substrate and improve efficiency of the process products. Filtering the resulting amount of cadmium sulfide is regard to residual amount after the end of the reaction, it can determine whether to continue the process or be added to the reaction so that the reactants CdS formation reaction continues to improve the efficiency of the use of process reduce the loss of raw materials.
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"Development of response spectra for the seismic structural analysis of piping systems." Tese, MAXWELL, 1998. http://www.maxwell.lambda.ele.puc-rio.br/cgi-bin/db2www/PRG_0991.D2W/SHOW?Cont=1469:pt&Mat=&Sys=&Nr=&Fun=&CdLinPrg=pt.

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Gallagher, Anne. "Nouvelles techniques d'investigation de la latéralisation du langage à l'aide de l'électrophysiologie et de l'imagerie optique." Thèse, 2008. http://hdl.handle.net/1866/6379.

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