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Relevant bibliographies by topics / NMR Chemical Analysis / Dissertations / Theses

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Dissertations / Theses on the topic 'NMR Chemical Analysis'

Author: Grafiati

Published: 4 June 2021

Last updated: 6 September 2023

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1

Byrne, Jonathan. "Prediction of Â¹H NMR chemical shifts and conformational analysis of organic molecules." Thesis, University of Liverpool, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.441892.

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2

Comfort, David Michael. "Structural studies of SpoIIAA using NMR." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.297947.

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3

Norrehed, Sara. "Modulation of Molecular Properties : Host–Guest Interactions for Structural Analysis and Chemical Reactions." Doctoral thesis, Uppsala universitet, Syntetisk organisk kemi, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-207138.

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This thesis concerns the construction, use and modulation of various host–guest systems, from small bispidines for binding of inorganic ions to bisporphyrin clips for supramolecular systems. Small flexible molecules undergo fast conformational movements when in solution. These conformational movements generate time-averaged population-weighted chemical shifts, coupling constants and NOEs when analysed by NMR spectroscopy. A bisporphyrin clip was designed to be used as a host for restriction of conformational movements of small flexible molecules by ditopic metal-ligand binding. Based on confor

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4

Pointer-Keenan, Caroline D. "Monitoring dynamical and structural changes at the lipid-water interface through chemical shift analysis a Xe-129 NMR study /." [Gainesville, Fla.] : University of Florida, 2009. http://purl.fcla.edu/fcla/etd/UFE0041232.

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5

Ashbrook, Sharon Elizabeth. "New NMR techniques for the study of quadrupolar nuclei." Thesis, University of Oxford, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.342238.

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6

Pike, Kevin John. "An NMR study of some low-dimensional magnetically correlated materials." Thesis, University of Warwick, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.344004.

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7

Marchand, Jérémy. "Combining NMR and MS fingerprinting for fine characterization of lipid profiles. : Application to a chemical food safety issue." Thesis, Nantes, Ecole nationale vétérinaire, 2018. http://www.theses.fr/2018ONIR120F/document.

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Pour garantir au consommateur des aliments sûrs, l'emploi d'anabolisants chez les animaux de production est prohibée au sein de l'Union Européenne depuis la fin des années 1980. Bien que performantes, les méthodes de contrôle classiques ciblées font face à de nouveaux défis auxquels des stratégies alternatives (non ciblées),visant à identifier des biomarqueurs métaboliques caractéristiques de l'effet associé à ces pratiques, offrent des solutions innovantes. Le lipidome en particulier constitue une fraction d'intérêt pour l'étude des effets liés aux agents de répartition. La Spectrométrie de M

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8

Chen, Xi. "Automatic ¹³C Chemical Shift Reference Correction of Protein NMR Spectral Data Using Data Mining and Bayesian Statistical Modeling." UKnowledge, 2019. https://uknowledge.uky.edu/biochem_etds/40.

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Nuclear magnetic resonance (NMR) is a highly versatile analytical technique for studying molecular configuration, conformation, and dynamics, especially of biomacromolecules such as proteins. However, due to the intrinsic properties of NMR experiments, results from the NMR instruments require a refencing step before the down-the-line analysis. Poor chemical shift referencing, especially for 13C in protein Nuclear Magnetic Resonance (NMR) experiments, fundamentally limits and even prevents effective study of biomacromolecules via NMR. There is no available method that can rereference carbon che

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9

Angles, d'Ortoli Thibault. "Assembling and Unraveling Carbohydrates Structures : Conformational analysis of synthesized branched oligosaccharides." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-133106.

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Advances in the elaboration of vaccines and enzyme inhibitors rely on acquiring more knowledge about protein-carbohydrate binding events. Furthermore, the relationships between biological function and the three-dimensional properties of large glycans can be studied by focusing on the structural components they contained, namely, by scaling down the system under analysis. Chemical methods are useful assets as they allow the isolation and determination of epitopes; these small and recognizable fragments that lead to very specific interactions. In this thesis, biologically relevant saccharides we

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10

Silva, Sandra Lopes da. "NMR in the characterization of heavy residual procedural streams." Doctoral thesis, Universidade de Aveiro, 2014. http://hdl.handle.net/10773/13126.

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Doutoramento em Química<br>The main objective of this work was to monitor a set of physical-chemical properties of heavy oil procedural streams through nuclear magnetic resonance spectroscopy, in order to propose an analysis procedure and online data processing for process control. Different statistical methods which allow to relate the results obtained by nuclear magnetic resonance spectroscopy with the results obtained by the conventional standard methods during the characterization of the different streams, have been implemented in order to develop models for predicting these same propertie

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11

Campbell, Susan Christina. "Pharmaceutical polymorphism : an investigation using solid-state nuclear magnetic resonance spectroscopy." Thesis, Durham University, 1998. http://etheses.dur.ac.uk/5021/.

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The study of two pharmaceutically active systems that each display polymorphism has provided a platform upon which to develop and apply solid-state NMR techniques in order to increase the understanding of the solid-state structure of small organic molecules. The multidisciplinary approach adopted has highlighted the advantages of solid-state NMR as a non-invasive probe of molecular conformation and crystallographic packing.Carbon-13 CP/MAS spectra of the two polymorphs of BRL55834 - a fluorinated benzopyran derivative - immediately suggest the presence of one and three molecules in the asymmet

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12

Jackson, Richard Simon. "Structural studies of PVC gels by Raman spectroscopy." Thesis, University of Leeds, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.344026.

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13

CUNHA, TATIANA F. da. "Aplicação do poli(epsilon-caprolactona) com estrutura estrelada para obtenção de microesferas biorreabsorvíveis." reponame:Repositório Institucional do IPEN, 2012. http://repositorio.ipen.br:8080/xmlui/handle/123456789/10544.

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Made available in DSpace on 2014-10-09T12:41:42Z (GMT). No. of bitstreams: 0<br>Made available in DSpace on 2014-10-09T14:07:07Z (GMT). No. of bitstreams: 0<br>Dissertação (Mestrado)<br>IPEN/D<br>Instituto de Pesquisas Energeticas e Nucleares - IPEN-CNEN/SP

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14

Sfihi, Hocine. "Resonance magnetique nucleaire haute resolution du carbone-13 dans les materiaux carbones : application a l'etude d'une hydrogenation menagee de charbons francais en phase solide." Paris 7, 1987. http://www.theses.fr/1987PA077158.

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Aspects theoriques et pratiques des differentes methodes utilisees en rmn du **(13)c solide. Application de ces methodes a la caracterisation de charbons francais (gardanne, vouters, mericourt et escarpelle) et des produits solides resultant de l'hydrogenation de ces charbons. Determination de parametres structuraux (facteur d'aromaticite, fractions de carbones aromatiques protones et non protones et la fonctionnalite). Etablissement d'une correlation entre ces parametres structuraux d'une part et le rang du charbon et le degre d'hydrogenation d'autre part

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15

Martí, Aluja Idoia. "Analysis of polymerisation / aggregation processes by nir chemical imaging and ftir spectroscopy." Doctoral thesis, Universitat Rovira i Virgili, 2013. http://hdl.handle.net/10803/125668.

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El principal objectiu d’aquesta tesi és desenvolupar mètodes analítics basats en la combinació entre l’espectroscòpia d’infraroig i tècniques quimiomètriques per analitzar in situ un procés de polimerització i l’agregació de la insulina. El procés de polimerització es va monitoritzar mitjançant la tècnica de near-infraredchemicalimaging (NIR-CI). L’anàlisi quimiomètric de les dades obtingudes ha permès evidenciar la presència d’un equilibri tautomèric d’un dels reactius. El segon procés estudiat ha estat l’agregació de la insulina, establint diverses metodologies basades en l’espectroscòpia d’

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16

Wenger, Daniela. "Endocrine-disrupting chemicals in the air : investigation of emission sources and ambient concentrations with reporter gene assays and chemical analysis /." Zürich : ETH, 2008. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=18004.

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17

Grand, Vincent. "Synthèse et structure des peptides réduits : influence structurale de l'état aminé ou ammonium du lien amidé réduit." Vandoeuvre-les-Nancy, INPL, 1995. http://www.theses.fr/1995INPL038N.

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Dans le présent travail, nous avons comparé diverses méthodes de synthèse pour la préparation d'analogues réduits de mono-, di-, et tripeptides connus pour adopter des structures définies telles que le repliement bêta, gamma et Asx. Sauf lorsque le lien amide réduit est C-terminal, et ou une substitution nucléophile est à recommander, la réduction de l'imine obtenue à partir d'un aldéhyde peptidique est la plus efficace. La structure de ces analogues réduits a été analysée à l'état solide par diffraction des rayons X, et en solution organique par spectroscopie IR et RMN. Du fait de la probable

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18

Amirabadi, Seyedshahabaldin. "Characterization of PLA-Talc films using NIR chemical imaging and multivariate image analysis techniques." Master's thesis, Université Laval, 2018. http://hdl.handle.net/20.500.11794/29853.

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L’emballage joue un rôle important dans l’industrie alimentaire afin de maintenir la qualité des produits le plus longtemps possible. Les films de polymère sont largement utilisés dans l’emballage alimentaire et sont attrayants pour leurs propriétés exceptionnelles. Puisque les polymères à base de pétrole apportent des préoccupations environnementales, les polymères biodégradables tel que le PLA sont étudiés plus intensivement depuis quelques années considérant leurs propriétés écologiques. L’application de films renforcés permet, comparativement aux films simples, d’atteindre des fonctions sp

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19

Song, Guangjie. "Structure analyses of cellobiose and cellulose using X-ray diffraction and solid-state NMR spectroscopy on oriented samples." Kyoto University, 2015. http://hdl.handle.net/2433/199362.

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Kyoto University (京都大学)<br>0048<br>新制・課程博士<br>博士(農学)<br>甲第19038号<br>農博第2116号<br>新制||農||1031(附属図書館)<br>学位論文||H27||N4920(農学部図書室)<br>31989<br>京都大学大学院農学研究科森林科学専攻<br>(主査)教授木村恒久, 教授西尾嘉之, 教授髙野俊幸<br>学位規則第4条第1項該当

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20

Manso, Jalice Y. "Sensor fusion of IR, NIR, and Raman spectroscopic data for polymorph quantitation of an agrochemical compound." Access to citation, abstract and download form provided by ProQuest Information and Learning Company; downloadable PDF file, 37 p, 2009. http://proquest.umi.com/pqdweb?did=1694432951&sid=2&Fmt=2&clientId=8331&RQT=309&VName=PQD.

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21

Mazeau, Karim. "Modelisation des conformations de l'adn : application au cas d'un adduit intrabrin cis-(pt(nh3)2(d(pgpcpg)))." Orléans, 1988. http://www.theses.fr/1988ORLE2030.

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22

Guerriero, Andrew. "Variable pressure NMR analyses to assess compressive motion in PETNR and catalytically germane PETNR:Ligand complexes." Thesis, University of Manchester, 2012. https://www.research.manchester.ac.uk/portal/en/theses/variable-pressure-nmr-analyses-to-assess-compressive-motion-in-petnr-and-catalytically-germane-petnrligand-complexes(f9d8a882-b05b-47ac-86c4-3987c78e5494).html.

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The involvement of dynamical fluctuations in driving enzymatic processes is widely accepted. With respect to NQM tunnelling enzymes, the role of promoting motions in facilitating hydrogenic transfers is well studied. Few studies have however, specifically attributed, dedicated dynamical fluctuations characterised by their timescales and magnitudes, as a function of a reaction coordinate, to specific groups in a protein system. An effectively full suite of backbone resonance assignments were obtained for PETNR and on relevant ligand complexes. This provided an essential platform on which residu

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23

Bolliger, Christof. "Bioremediation of a heating oil-contaminated aquifer : quantification of processes by chemical, biological, and stable isotope analyses /." [S.l.] : [s.n.], 2000. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=13737.

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24

Ali, H. R. H. "Vibrational spectroscopic techniques (Raman, FT-IR and FT-NIR spectroscopy) as a means for the solid-state structural analysis of pharmaceuticals." Thesis, University of Bradford, 2009. http://hdl.handle.net/10454/3343.

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The aim of this work was to assess the suitability of vibrational spectroscopic techniques (Raman, FT-IR and FT-NIR spectroscopy) as a means for the solid-state structural analysis of pharmaceuticals. Budesonide, fluticasone propionate, salbutamol hemisulfate, terbutaline hemisulfate, ipratropium bromide, polymorphic forms of salmeterol xinafoate and two polymorphic forms of sulfathiazole were selected since they are used in the management of certain respiratory disorders and from different chemical and pharmacological entities along with some pharmaceutical excipients. Conventional visual exa

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25

Brandén, Carl-Magnus. "Determination of the Degree of Oxidation in Dialdehyde Cellulose Using Near Infrared Spectroscopy." Thesis, Karlstads universitet, Avdelningen för kemiteknik, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:kau:diva-55258.

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The purpose of this thesis work was to investigate possible in-, on- or at-line methods to determine the degree of oxidation in dialdehyde cellulose. Several technologies were reviewed which led to a feasibility study into a possible on-line or at-line method using near infrared spectroscopy for determining the degree of oxidation in wet dialdehyde cellulose. A calibration model was built using the near infrared spectra of 19 samples created from kraft pulp with a degree of oxidation between 0 and 52.1 %. The obtained model uses five significant principal components and has a goodness of fit (

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26

Araujo, Suzana Romeiro. "Reflectance spectroscopy vis-NIR and mid-IR applied for soil studies." Universidade de São Paulo, 2013. http://www.teses.usp.br/teses/disponiveis/11/11140/tde-02042013-133023/.

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Effective agricultural planning and environmental monitoring requires basic soil information. However, analyzing soil properties by conventional methods is often expensive and time consuming. In addition, these analyses result in chemical residues, which may be environmentally hazardous. In recent decades near-infrared diffuse reflectance spectroscopy (400-2500 nm) has been shown to be a viable alternative for rapidly analyzing soil properties. Information needs to be mathematically extracted from the spectra in order to correlate them with soil properties, and multivariate statistics are ofte

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27

Tsai, Wen-Cai, and 蔡文財. "Analysis of Chemical Constituents from the Leaves of Trochodendron aralioides by LC-SPE-NMR." Thesis, 2005. http://ndltd.ncl.edu.tw/handle/94107859260616252994.

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碩士<br>國立臺灣大學<br>藥學研究所<br>93<br>In order to investigate the chemical constituents as well as their relevant bioactivities, the methanolic extract from the leaves of Trochodendron aralioideo was analyzed by the efficient technique of LC-SPE-NMR in combination with other analytical methods. The methanolic extract was partitioned among solvents of different polarity, and then followed by successive separation and fractionation with centrifugal partition chromatography, silica gel and Sephadex LH-20 column chromatographies. Finally, the fraction of particular interest was analyzed by the LC-SPE-NMR

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28

Singh, Gurmeet. "Analysis of the carban-13NMR chemical shifts and 2D NMR studies of vinyl copolymers." Thesis, 2005. http://localhost:8080/iit/handle/2074/3629.

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29

Mishra, Sandeep Kumar. "Study of Diverse Chemical Problems by NMR and the Design of Novel Two Dimensional Techniques." Thesis, 2017. http://etd.iisc.ac.in/handle/2005/3619.

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The research work reported in this thesis is focused on the chiral analysis, quantification of enantiomeric composition, assignment of absolute configuration of molecules with chosen functional groups. The weak intra-molecular hydrogen bonding interactions are detected by exploiting several multinuclear and multi-dimensional techniques. Pulse sequences have been designed to manipulate the spin dynamics to derive specific information from the complex NMR spectra encountered in diverse situations. Broadly, the thesis can be classified in to three sections. The section I containing two chapters r

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30

Simoes, Filipa R. F. "Development and application of novel fusion approaches for elemental analysis of carbon-based materials." Diss., 2020. http://hdl.handle.net/10754/666186.

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Graphite and graphitic materials underpin a number of modern technologies such as electrodes for energy storage and conversion systems. Due to their aromatic honeycomb-type lattice and layered structure, these carbons host a rich variety of foreign elements in their interstices. Whether possessing a tubular morphology - that enables the encapsulation of inorganic compounds, or a planar texture - where anions and molecules can intercalate, the chemical analysis of graphite and graphitic materials is often confronted with the need to disintegrate the carbon matrix to quantify target elements, mo

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31

Mishra, Sandeep Kumar. "Study of Diverse Chemical Problems by NMR and the Design of Novel Two Dimensional Techniques." Thesis, 2017. http://etd.iisc.ac.in/handle/2005/3558.

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The research work reported in this thesis is focused on the chiral analysis, quantification of enantiomeric composition, assignment of absolute configuration of molecules with chosen functional groups. The weak intra-molecular hydrogen bonding interactions are detected by exploiting several multinuclear and multi-dimensional techniques. Pulse sequences have been designed to manipulate the spin dynamics to derive specific information from the complex NMR spectra encountered in diverse situations. Broadly, the thesis can be classified in to three sections. The section I containing two chapters r

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32

Mishra, Sandeep Kumar. "Study of Diverse Chemical Problems by NMR and the Design of Novel Two Dimensional Techniques." Thesis, 2017. http://etd.iisc.ernet.in/2005/3558.

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The research work reported in this thesis is focused on the chiral analysis, quantification of enantiomeric composition, assignment of absolute configuration of molecules with chosen functional groups. The weak intra-molecular hydrogen bonding interactions are detected by exploiting several multinuclear and multi-dimensional techniques. Pulse sequences have been designed to manipulate the spin dynamics to derive specific information from the complex NMR spectra encountered in diverse situations. Broadly, the thesis can be classified in to three sections. The section I containing two chapters r

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33

Shukla, A., E. Khan, K. Srivastava, K. Sinha, P. Tandon, and Venu R. Vangala. "Study of hydrogen bonding interactions and chemical reactivity analysis of nitrofurantoin–3-aminobenzoic acid cocrystal using quantum chemical and spectroscopic (IR, Raman, 13C SS-NMR) approaches." 2017. http://hdl.handle.net/10454/12402.

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Yes<br>Investigations of structural reactivity, molecular interactions and vibrational characterization of pharmaceutical drugs are helpful in understanding their behaviour. The aim of this study is to determine the molecular, electronic and chemical properties of the antibiotic drug nitrofurantoin (NF), after cocrystallisation with 3-aminobenzoic acid (3ABA) and to understand how those changes lead to variation of properties in the cocrystal NF–3ABA. NF–3ABA formation is explained by stabilization via the hydrogen-bond network between NF and 3ABA molecules. It is thoroughly characterized by I

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34

Ajiboye, Babasola. "Molecular speciation of phosphorus in organic amendments and amended soils using nuclear magnetic resonance and X-ray absorption spectroscopies." 2007. http://hdl.handle.net/1993/2812.

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Characterization of phosphorus (P) in organic amendments is essential for environmentally sustainable fertilization of agricultural soils. The sequential chemical extraction (SCE) technique commonly used for P characterization does not provide any direct molecular information about P species. Studies were conducted to characterize P species in organic amendments and amended soils at a molecular level. The SCE was used to fractionate P in organic amendments including biosolids, hog, dairy and beef cattle manures, and poultry litter. The extracts were analyzed for total P and P species using

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35

Chang, Chia-Chuan, and 張嘉銓. "Part I: Study on the Chemical Constituents from the Root of Phyllanthus urinaria L.; Part II: Study on the Antiviral Lignans Derived from Phyllanthus plants; Part III: Analysis of Chemical Constituents from Phyllanthus maderaspatensis L. by LC-SPE-NMR." Thesis, 2004. http://ndltd.ncl.edu.tw/handle/44139910462761587503.

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博士<br>國立臺灣大學<br>藥學研究所<br>93<br>I. Study on the Chemical Constituent from the Root of Phyllanthus urinaria L. Phyllanthus urinaria L., a Euphorbiaceae herbal plant widely distributed in tropical and subtropical areas in the world, has long been used in the folk medicine to treat diabetes, hepatitis, and dropsy. In the respect of chemical constituents studies, thirteen lignans with similar polarity had been isolated from the aerial part. A preliminary study also indicated at least ten lignans were contained in root part. To amplify the lignan chemical bank and search for other bioactive compound

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36

Світлична, Катерина Миколаївна. "S-гетерилмодифіковані похідні ендогенних тіолів: синтез та ідентифікація". Магістерська робота, 2020. https://dspace.znu.edu.ua/jspui/handle/12345/4202.

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Світличка К. М. S-гетерилмодифіковані похідні ендогенних тіолів: синтез та ідентифікація : кваліфікаційна робота магістра спеціальності 102 "Хімія" / наук. керівник М. М. Корнет. Запоріжжя : ЗНУ, 2020. 70 с.<br>UA : В роботі 70 сторінок, 5 таблиць, 17 рисунків, було використано 71 літературне джерело, із них 40 іноземною мовою. Об’єкт дослідження – S-заміщені цистеаміну. Предметом дослідження є квантово-хімічні розрахунки, синтез, ідентифікація та дослідження фізико-хімічних властивості S-заміщених цистеаміну. Метою даної роботи є синтез потенційних біорегуляторів – S-заміщених цистеамін

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"Numerical analysis of the transport of contaminants in porous media considering chemical interaction." Tese, MAXWELL, 1999. http://www.maxwell.lambda.ele.puc-rio.br/cgi-bin/db2www/PRG_0991.D2W/SHOW?Cont=1882:pt&Mat=&Sys=&Nr=&Fun=&CdLinPrg=pt.

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