Relevant bibliographies by topics / NMR Methodologies Development

Academic literature on the topic 'NMR Methodologies Development'

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Published: 6 September 2023

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Journal articles on the topic "NMR Methodologies Development"

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Becker, Edwin D. "The role of sophisticated instruments in biological research: Examples from nuclear magnetic resonance." Bioscience Reports 8, no. 6 (December 1, 1988): 509–18. http://dx.doi.org/10.1007/bf01117329.

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Tran, Nhi T., Frédéric Mentink-Vigier, and Joanna R. Long. "Dynamic Nuclear Polarization of Biomembrane Assemblies." Biomolecules 10, no. 9 (August 27, 2020): 1246. http://dx.doi.org/10.3390/biom10091246.

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While atomic scale structural and dynamic information are hallmarks of nuclear magnetic resonance (NMR) methodologies, sensitivity is a fundamental limitation in NMR studies. Fully exploiting NMR capabilities to study membrane proteins is further hampered by their dilution within biological membranes. Recent developments in dynamic nuclear polarization (DNP), which can transfer the relatively high polarization of unpaired electrons to nuclear spins, show promise for overcoming the sensitivity bottleneck and enabling NMR characterization of membrane proteins under native-like conditions. Here we discuss fundamental aspects of DNP-enhanced solid-state NMR spectroscopy, experimental details relevant to the study of lipid assemblies and incorporated proteins, and sensitivity gains which can be realized in biomembrane-based samples. We also present unique insights which can be gained from DNP measurements and prospects for further development of the technique for elucidating structures and orientations of membrane proteins in native lipid environments.
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Robinson, Simon P., and John R. Griffiths. "Current issues in the utility of 19 F nuclear magnetic resonance methodologies for the assessment of tumour hypoxia." Philosophical Transactions of the Royal Society of London. Series B: Biological Sciences 359, no. 1446 (June 29, 2004): 987–96. http://dx.doi.org/10.1098/rstb.2003.1376.

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It is now well established that uncontrolled proliferation of tumour cells together with the chaotic and poorly regulated blood supply of solid tumours result in tissue hypoxia, and that hypoxic regions of tumours are resistant to radiotherapy and chemotherapy. The development and application of non–invasive methods to rapidly determine the degree and extent of tumour hypoxia in an individual tumour would clearly enhance cancer treatment strategies. This review describes the current status of two 19 F nuclear magnetic resonance (NMR) methodologies that have been exploited to investigate tumour hypoxia, namely: (i) 19 F NMR oximetry following administration of perfluorocarbons, from which tumour p O 2 measurements can be made; and (ii) 19 F NMR measurements of the tumour retention of fluorinated 2–nitroimidazoles.
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Roy, Debmalya, P. K. Basu, P. Raghunathan, and S. V. Eswaran. "Quantitation of microstructure of novolac resins: Development of improved one- and two-dimensional NMR methodologies." Journal of Applied Polymer Science 91, no. 4 (2003): 2096–102. http://dx.doi.org/10.1002/app.13247.

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Guo, Jian-Chun, Hang-Yu Zhou, Jie Zeng, Kun-Jie Wang, Jie Lai, and Yu-Xuan Liu. "Advances in low-field nuclear magnetic resonance (NMR) technologies applied for characterization of pore space inside rocks: a critical review." Petroleum Science 17, no. 5 (July 22, 2020): 1281–97. http://dx.doi.org/10.1007/s12182-020-00488-0.

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Abstract NMR serves as an important technique for probing rock pore space, such as pore structure characterization, fluid identification, and petrophysical property testing, due to the reusability of cores, convenience in sample processing, and time efficiency in laboratory tests. In practice, NMR signal collection is normally achieved through polarized nuclei relaxation which releases crucial relaxation messages for result interpretation. The impetus of this work is to help engineers and researchers with petroleum background obtain new insights into NMR principals and extend existing methodologies for characterization of unconventional formations. This article first gives a brief description of the development history of relaxation theories and models for porous media. Then, the widely used NMR techniques for characterizing petrophysical properties and pore structures are presented. Meanwhile, limitations and deficiencies of them are summarized. Finally, future work on improving these insufficiencies and approaches of enhancement applicability for NMR technologies are discussed.
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Thompson, Melissa R., David R. McKenzie, John J. Likos, and Janice K. Gard. "Protein-free ligand screening: simplification of chiral chromatographic development via novel adaptation of NMR screening methodologies." Magnetic Resonance in Chemistry 47, no. 7 (July 2009): 541–50. http://dx.doi.org/10.1002/mrc.2425.

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Di Tullio, Valeria, and Noemi Proietti. "New Insights to Characterize Paint Varnishes and to Study Water in Paintings by Nuclear Magnetic Resonance Spectroscopy (NMR)." Magnetochemistry 6, no. 2 (April 23, 2020): 21. http://dx.doi.org/10.3390/magnetochemistry6020021.

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Paintings are complex multi-layered systems made of organic and inorganic materials. Several factors can affect the degradation of paintings, such as environmental conditions, past restoration works and, finally, the type of painting technique and the art materials used over the centuries. The chemical–physical characterization of paintings is a constant challenge that requires research into and the development of novel analytical methodologies and processes. In recent years, solvents and water-related issues in paintings are attracting more attention, and several studies have been focused on analyzing the interaction between water molecules and the constitutive materials. In this study, recent applications applying different NMR methodologies were shown, highlighting the weakness and the strength of the techniques in analyzing paintings. In particular, the study of water and its diffusive interactions within wall and oil paintings was performed to prove how the portable NMR can be used directly in museums for planning restoration work and to monitor the degradation processes. Furthermore, some preliminary results on the analysis of varnishes and binders, such us linseed oil, shellac, sandarac and colophony resins, were obtained by 1H HR-MAS NMR spectroscopy, highlighting the weakness and strengths of this technique in the field of conservation science.
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Haouas, Mohamed. "Nuclear Magnetic Resonance Spectroscopy for In Situ Monitoring of Porous Materials Formation under Hydrothermal Conditions." Materials 11, no. 8 (August 12, 2018): 1416. http://dx.doi.org/10.3390/ma11081416.

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The employment of nuclear magnetic resonance (NMR) spectroscopy for studying crystalline porous materials formation is reviewed in the context of the development of in situ methodologies for the observation of the real synthesis medium, with the aim of unraveling the nucleation and growth processes mechanism. Both liquid and solid state NMR techniques are considered to probe the local environment at molecular level of the precursor species either soluble in the liquid phase or present in the reactive gel. Because the mass transport between the liquid and solid components of the heterogeneous system plays a key role in the synthesis course, the two methods provide unique insights and are complementary. Recent technological advances for hydrothermal conditions NMR are detailed and their applications to zeolite and related materials crystallization are illustrated. Achievements in the field are exemplified with some representative studies of relevance to zeolites, aluminophosphate zeotypes, and metal-organic frameworks.
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Johnson, Jorden A., Noelle M. Olson, Madison J. Tooker, Scott K. Bur, and William C. K. Pomerantz. "Combined Protein- and Ligand-Observed NMR Workflow to Screen Fragment Cocktails against Multiple Proteins: A Case Study Using Bromodomains." Molecules 25, no. 17 (August 29, 2020): 3949. http://dx.doi.org/10.3390/molecules25173949.

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As fragment-based drug discovery has become mainstream, there has been an increase in various screening methodologies. Protein-observed 19F (PrOF) NMR and 1H CPMG NMR are two fragment screening assays that have complementary advantages. Here, we sought to combine these two NMR-based assays into a new screening workflow. This combination of protein- and ligand-observed experiments allows for a time- and resource-efficient multiplexed screen of mixtures of fragments and proteins. PrOF NMR is first used to screen mixtures against two proteins. Hit mixtures for each protein are identified then deconvoluted using 1H CPMG NMR. We demonstrate the benefit of this fragment screening method by conducting the first reported fragment screens against the bromodomains of BPTF and Plasmodium falciparum (Pf) GCN5 using 467 3D-enriched fragments. The hit rates were 6%, 5% and 4% for fragments binding BPTF, PfGCN5, and fragments binding both proteins, respectively. Select hits were characterized, revealing a broad range of affinities from low µM to mM dissociation constants. Follow-up experiments supported a low-affinity second binding site on PfGCN5. This approach can be used to bias fragment screens towards more selective hits at the onset of inhibitor development in a resource- and time-efficient manner.
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Barbieri, Marco, Paola Fantazzini, Claudia Testa, Villiam Bortolotti, Fabio Baruffaldi, Feliks Kogan, and Leonardo Brizi. "Characterization of Structural Bone Properties through Portable Single-Sided NMR Devices: State of the Art and Future Perspectives." International Journal of Molecular Sciences 22, no. 14 (July 7, 2021): 7318. http://dx.doi.org/10.3390/ijms22147318.

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Nuclear Magnetic Resonance (NMR) is a well-suited methodology to study bone composition and structural properties. This is because the NMR parameters, such as the T2 relaxation time, are sensitive to the chemical and physical environment of the 1H nuclei. Although magnetic resonance imaging (MRI) allows bone structure assessment in vivo, its cost limits the suitability of conventional MRI for routine bone screening. With difficulty accessing clinically suitable exams, the diagnosis of bone diseases, such as osteoporosis, and the associated fracture risk estimation is based on the assessment of bone mineral density (BMD), obtained by the dual-energy X-ray absorptiometry (DXA). However, integrating the information about the structure of the bone with the bone mineral density has been shown to improve fracture risk estimation related to osteoporosis. Portable NMR, based on low-field single-sided NMR devices, is a promising and appealing approach to assess NMR properties of biological tissues with the aim of medical applications. Since these scanners detect the signal from a sensitive volume external to the magnet, they can be used to perform NMR measurement without the need to fit a sample inside a bore of a magnet, allowing, in principle, in vivo application. Techniques based on NMR single-sided devices have the potential to provide a high impact on the clinical routine because of low purchasing and running costs and low maintenance of such scanners. In this review, the development of new methodologies to investigate structural properties of trabecular bone exploiting single-sided NMR devices is reviewed, and current limitations and future perspectives are discussed.
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Dissertations / Theses on the topic "NMR Methodologies Development"

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Agarwal, Vipin. "Development and application of MAS solid state NMR methodologies to biomolecules." Berlin mbv, 2009. http://d-nb.info/998718602/04.

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Mukhopadhyay, Dwaipayan. "Development of Solid-State NMR Methodologies for Protein Structure Determination based on Paramagnetic Tagging." The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1534438273233685.

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Zhou, Lina. "In situ NMR methodologies development for lithium-ion batteries : application to spinel lithium manganese oxides." Thesis, University of Cambridge, 2015. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.708681.

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Pigliapochi, Roberta. "Development of first principles paramagnetic NMR methodologies to probe the complex local structural properties of Li-ion battery materials." Thesis, University of Cambridge, 2018. https://www.repository.cam.ac.uk/handle/1810/275130.

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NMR spectroscopy of paramagnetic solids provides detailed information about the local configuration and the chemical environment of the NMR observed center, as well as about the structural, magnetic and electronic properties of the coordianted paramagnetic centres. In the case of complex paramagnetic solids such as cathode materials for (rechargeable) batteries, NMR represents an invaluable tool to provide insight into the structural and electronic properties of the systems, which are at the base of the electrochemical performance of these materials. However, the paramagnetism makes the interpretation of the NMR data very challenging. This is primarily due to the interactions of the unpaired electrons with the NMR observed nucleus, and the interpretation of the NMR spectra often requires the aid of reliable theoretical and computational methods. Often the dominant interaction contributing to the measured isotropic shifts is the hyperfine interaction between the unpaired electrons and the observed nucleus, which results from the transfer of unpaired electrons from the paramagnetic centre(s) to the NMR observed site. In systems such as the ones studied here, in which the paramagnetic ions are a major constituent of the lattice, the multitide of different local environments results in a complex distribution of resonances. As in the case of the Li$_x$V$_6$O$_{13}$ cathode material, a methodical investigation of the configurational stability from first principles gives insight into the preferred site configurations. The combination of experimental $^7$Li NMR spectra and hyperfine shift DFT calculations of the so-found stable Li environments allows to unravel the complex lithiation mechanism of this material. In the other case of the LiTi$_x$Mn$_{2-x}$O$_4$ cathode materials, the $^7$Li hyperfine shifts calculated from first principles for a variety of Li environments are combined in a lattice model which allows to assign the isotropic regions of the experimental $^7$Li NMR spectra, helping to resolve the complex cation ordering as a function of Mn/Ti content in the series. For paramagnetic centres with an unquenched orbital component of the electron magnetic moment(s), the spin-orbit coupling effects also contribute to the paramagnetic NMR shift and shift anisotropy. A first principles model is derived, which describes how spin-orbit coupling and the single-ion $g$-tensor are defined and calculated in periodic paramagnetic solids, and how they can be coupled with the hyperfine interaction to model their effects on the NMR spectrum. The method is applied to a series of olivine-type LiTMPO$_4$ cathode materials (with TM = Mn, Fe, Co, and Ni) and the respective $^7$Li and $^{31}$P NMR spectra are simulated and compared with the experiments. The other paramagnetic effect considered in this thesis involves the bulk magnetic susceptibility (BMS), which is particularly important for paramagnetic single crystals and solids of complex shape. The BMS effect results from the discontinuity of the bulk susceptibility at the surface of the crystal, inducing a demagnetizing field throughout the sample which changes the measured NMR shift and shift anisotropy. A method to analytically calculate the demagnetising field and the BMS shift in crystals of different shapes is derived, and it is applied to a series of LiFePO$_4$ single crystals for which the $^7$Li NMR spectra are also measured experimentally. The study confirms that, particularly for $^7$Li NMR, the macroscopic shape-dependent BMS shift can indeed be a significant contribution to the measured resonances, determining the large variation in shift measured for the crystals of different shapes.
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Shao, Limin. "New methodologies in solid-state NMR : development and applications of a chemical shift anisotropy amplification experiment." Thesis, University of Nottingham, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.437807.

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Alcañiz, Lucas Sara. "Development of new formulations of EDDHA/Fe³+ chelates and methodologies for their analysis based on NMR." Doctoral thesis, Universidad de Alicante, 2015. http://hdl.handle.net/10045/53425.

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Afonso, Cláudia Filipa Martins. "Development of in-cell NMR methodologies." Master's thesis, 2017. http://hdl.handle.net/10362/27626.

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The characterization of molecules within a biologically relevant environment distinguishes nuclear magnetic resonance (NMR) spectroscopy from other molecular-based biophysical techniques, such as X-ray crystallography and cryo-electron microscopy. Due to its exceptional stability and reduced ability to interact in a specific manner with other cellular components, the GB1 protein represents the quintessential probe to investigate the physiochemical effects imposed by the crowded environment on the structure and dynamics of proteins, without simultaneously compromising the ability to obtain in-cell NMR spectra due to binding events. The general aim of this thesis was to investigate the possible interactions of the GB1 protein with the Escherichia coli lysate and intracellular milieu with the purpose of inferring the physiochemical effects imposed by these two crowded environments on the structure and dynamics of proteins. Thus, the experimental parameters critical for performing in-cell NMR experiments, including bacterial growth and protein overexpression within E. coli cells, were initially optimized. Subsequently, by monitoring proton and nitrogen chemical shifts of backbone amides and lysines side chains, as well as carbon and proton chemical shifts of side chains containing carbonyl groups, the preferential behaviour of GB1 was analysed in lysate and within cells, considering the pure protein in water as the reference state. Furthermore, interactions with the local environment were further examined by determining the overall translational motion of the protein through diffusion-ordered NMR spectroscopy (DOSY). The results obtained suggest that the intracellular environment is much more viscous than its artificially crowded counterpart and that GB1 exhibits a distinct behaviour in E. coli than in lysate. Specifically, residues at or near the more flexible and solvent-exposed loop regions of the protein display an increased preference for interaction with cellular components within cells compared to lysate. Finally, a comparison of diffusion coefficients obtained with DOSY and fluorescence correlation spectroscopy (FCS), the standard analytical technique for studying protein diffusion, was made.
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Madhu, P. K. "Development Of Methodologies In NMR And Applications Of NMR To Biomolecules." Thesis, 1997. http://etd.iisc.ernet.in/handle/2005/1831.

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Prabhu, Uday Ramesh. "Development Of Two Dimensional Correlation And Resolved Methodologies For NMR Spectroscopic Discrimination Of Enantiomers." Thesis, 2010. http://hdl.handle.net/2005/1890.

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The research work reported in this thesis deals with the development of novel NMR experimental techniques for the spectroscopic discrimination of enantiomers dissolved in a chiral liquid crystalline medium. The information on the chemical shifts and coupling constants pertaining to each enantiomer has been derived on the investigated chiral molecules. The enantiomeric excess (ee), a parameter which is of profound importance in pharmaceutical industry and in asymmetric synthesis, has also been measured. A special attention is paid to the use of high sensitivity of H NMR for chiral discrimination. Typical analyses of H NMR spectra are severely hindered due to enormous spectral inhomogeneous broadening arising from too many unresolved transitions, in addition to superposition of spectra from both the enantiomers. Therefore, the major part of the work is focused on the design and application of pulse sequences to overcome many of these drawbacks. This helps to achieve very high resolution, discerning of overlapped transitions, identification of resonances pertaining to each enantiomer and simplification of the spectrum for easy extraction of spectral parameters, in addition to the accurate measurement of ee. Initially a brief discussion is provided on enantiomers, diastereomers, basic principles of NMR spectroscopy, the several interaction Hamiltonians responsible for yielding the NMR spectra, introduction to product and polarization operator formalisms that gives insight into the spin dynamics for designing appropriate two-dimensional (2D) NMR experiments. This sets the foundation to understand the complex multiplet structures of the diagonal peaks and cross peaks in the resulting 2D spectrum. Subsequently, a brief introduction is given for the available techniques for NMR spectroscopic discrimination of enantiomers in isotropic medium, where only chemical shifts are employed as a measurable parameter. The limitations of these techniques are circumvented by the introduction of other anisotropic NMR parameters, such as homo-and hetero-nuclear dipolar couplings, quadrupolar couplings and chemical shift anisotropies. To achieve this goal the enantiomers are dissolved in weakly aligning chiral liquid crystalline (CLC) medium. To understand this, a general introduction to liquid crystals and their utility as an alignment medium in NMR spectroscopy and the anisotropic interactions affecting the NMR spectrum has also been provided. The preparation of the CLC phase of Poly-γ-Benzyl-L-Glutamate (PBLG) employed in the present study and its orientational behaviour has been discussed. The detection of NMR spectra of various nuclei and the interaction parameters utilized for chiral discrimination will be enumerated. A brief summary of the experiments employed for the spectral analyses of the enantiomers dissolved in PBLG will also be presented.
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Giuntini, Stefano. "Bioconjugates and biomaterials with potential medical applications for the development of new NMR methodologies." Doctoral thesis, 2019. http://hdl.handle.net/2158/1151432.

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This work describes a methodology of employment of solid-state NMR spectroscopy as tool for the atomic detailed characterization of bioconjugates with potential pharmaceutical interest (such as PEGylated, nanoparticle-conjugated and glycosylated proteins) and bioinspired materials used as medical devices or enzyme-entrapped based targets for drug screening and discovery.
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Book chapters on the topic "NMR Methodologies Development"

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Lewicki, James P., Robert S. Maxwell, Brian P. Mayer, Amitesh Maiti, and Stephen J. Harley. "The Development and Application of NMR Methodologies for the Study of Degradation in Complex Silicones." In Concise Encyclopedia of High Performance Silicones, 151–76. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2014. http://dx.doi.org/10.1002/9781118938478.ch11.

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"New Developments in NMR Methodologies with Special Roles in Drug Discovery." In Structure-Activity Relationship Studies in Drug Development by NMR Spectroscopy, edited by Amy L. Lane, Paige E. Mandelare, and Yang H. Ban, 1–36. BENTHAM SCIENCE PUBLISHERS, 2014. http://dx.doi.org/10.2174/9781608059201114020001.

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Lane, Amy L., Paige E. Mandelare, and Yang H. Ban. "New Developments in NMR Methodologies with Special Roles in Natural Product Discovery." In Applications of NMR Spectroscopy, 79–117. BENTHAM SCIENCE PUBLISHERS, 2015. http://dx.doi.org/10.2174/9781681080628115030005.

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Wang, Victor X., and Uta M. Stelson. "Fundamentals in Program Development." In Handbook of Research on Program Development and Assessment Methodologies in K-20 Education, 24–48. IGI Global, 2018. http://dx.doi.org/10.4018/978-1-5225-3132-6.ch002.

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In recent years, politics have become more and more intertwined with education, often leading to non-academic curriculum control. This is most apparent than in the fields of high school education in subject matters such as science, sex education, and racial studies, but is not limited to these subjects nor limited to the high school level of education. Furthermore, this influence-seeking is not just limited to politics and politicians, but can also be found in the form of money and donors seeking to influence specific curricula or programs. This form of influence-seeking threatens the entire nation's intellectual freedom as it can happen entirely outside of the democratic process. Developing programs requires instructors to take several factors into consideration, and politics should not be one of them. These factors can be viewed as critical components of program development for education instructors. Without adequately addressing critical components such as program history, curriculum theory, curriculum philosophies, curriculum processes, as well as program and curriculum implementation and evaluation, education instructors will fail to develop sound/meaningful programs. This chapter will shed light on relevant information about program and curriculum development on its history, theory, philosophies of development, processes, implementation, and evaluation. The value of such as review is to assist those individuals seeking a teaching credential in education to have confidence to blend program development with their prior occupational knowledge and skills. The chapter will also examine caveats and dangers when social and political constructs are overlaid in comportments.
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Bentch, Christina S., and Gordon A. Crews. "Grassroots Approach of Embracing Survivors to Inform the Fight Against Human Trafficking." In Handbook of Research on Present and Future Paradigms in Human Trafficking, 402–27. IGI Global, 2022. http://dx.doi.org/10.4018/978-1-7998-9282-3.ch026.

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When human trafficking survivors work as “informants and advocates,” they keep systems trying to end this horrific crime honest and open to receiving new input. Grassroots approaches can inform many of the systems survivors pass through to improve or add to policies and procedures. Survivors can reveal new dynamics of transnational criminal networks and the development of new indicators and typologies in several systems. The systems discussed in this chapter will highlight the benefits and barriers to approaching an anti-trafficking agenda through a systems theory lens. The authors suggest ways to amend the limitations of these current systems by utilizing existing grassroots methodologies more widely, such as the national referral mechanism (NRM) for human trafficking survivors and other qualitative tools in fieldwork settings.
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Saekow, Apitep, and Choompol Boonmee. "The Challenges of Implementing e-Government Interoperability in Thailand." In Digital Democracy, 1883–905. IGI Global, 2012. http://dx.doi.org/10.4018/978-1-4666-1740-7.ch094.

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In November 2006, Thai Government announced Thailand electronic government interoperability framework (TH e-GIF) as a collection of technical standards, methodologies, guidelines and policies to enable electronic data exchange across government agencies. The first challenging project was to implement the semantic interoperability for exchanging official electronic letters across 29 government agencies using 15 heterogeneous software systems developed by different vendors. To achieve the project goal, a holistic approach was designed in which many policy-makers and practitioners had to involve in collaborative activities. This chapter explores the approach in details. It includes the process of data harmonization, modeling and standardizations using a number of UN/CEFACT specifications, UMM, CCTS and XML NDR, and other international standards. From this project the first national XML schema standard was produced. This chapter also introduces a methodology of extending the interoperability to legacy systems based on web services technology. Finally, it describes risk managements with the key success factors for the electronic interoperability development in Thailand.
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Saekow, Apitep, and Choompol Boonmee. "The Challenges of Implementing e-Government Interoperability in Thailand." In Interoperability in Digital Public Services and Administration, 40–61. IGI Global, 2011. http://dx.doi.org/10.4018/978-1-61520-887-6.ch003.

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In November 2006, Thai Government announced Thailand electronic government interoperability framework (TH e-GIF) as a collection of technical standards, methodologies, guidelines and policies to enable electronic data exchange across government agencies. The first challenging project was to implement the semantic interoperability for exchanging official electronic letters across 29 government agencies using 15 heterogeneous software systems developed by different vendors. To achieve the project goal, a holistic approach was designed in which many policy-makers and practitioners had to involve in collaborative activities. This chapter explores the approach in details. It includes the process of data harmonization, modeling and standardizations using a number of UN/CEFACT specifications, UMM, CCTS and XML NDR, and other international standards. From this project the first national XML schema standard was produced. This chapter also introduces a methodology of extending the interoperability to legacy systems based on web services technology. Finally, it describes risk managements with the key success factors for the electronic interoperability development in Thailand.
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du Plooy, N. F. "The Social Responsibility of Information Systems Developers." In Socio-Technical and Human Cognition Elements of Information Systems, 41–59. IGI Global, 2003. http://dx.doi.org/10.4018/978-1-59140-104-9.ch003.

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Information systems professionals have often been accused of ignoring issues such as ethics, human factors, social consequences, etc., during the development of an information system. This chapter aims to put into perspective that this attitude or ‘fact’ could be a result of a somewhat outdated mechanistic view of information systems and their role in organizations. Organizations adopt and use information systems for a variety of reasons, of which some of the most influential on the outcome or success of the systems often are neither planned nor anticipated. It is these reasons and their consequences that are the main point of discussion in this chapter. The importance of viewing information systems as social systems is stressed and it is pointed out that the ‘social side’ of information systems is the ‘other side of the coin’ of technical development methodologies. In the modern organization all work is so intertwined with the use of information technology that the one side cannot be considered, planned or developed, without considering the other. It is furthermore argued that it is the social responsibility of information systems professional to ensure that the human environment within which systems are being developed is cultivated and nurtured.
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Conference papers on the topic "NMR Methodologies Development"

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Pogorevc, Rok, Tina Ročnik, Blaž Likozar, Edita Jasiukaitytė-Grojzdek, and Miha Grilc. "Development of FT–IR, UV and Fluorescence Based Analytical Methodology for Lignin Characterisation." In International Conference on Technologies & Business Models for Circular Economy. University of Maribor Press, 2022. http://dx.doi.org/10.18690/um.fkkt.3.2022.3.

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The development of the novel analytical methodologies for lignin chracterisation is presented. Lignin fractions were characterized by NMR, SEC/GPC as well new analytical methodologies were implemented such as FT–IR, UV and fluorescence. FT–IR and fluorescence results show a promising correlation to the NMR and SEC/GPC analysis. Main findings from the SEC/GPC and NMR results indicates that by adding more water to the organosolv spent liquor isolated lignin contains lower amount of β-O 4 linking motif and also has a lower molecular weight. The following is also confirmed by the straightforward analysis using FT–IR and fluorescence giving the opportunity to replace time-consuming and complex lignin characterisation methods with a simple and quick analytics and the possibility to be applied for the in-process control in continuous production processes.
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Zambrano, Rafael, Michael Sadivnyk, Yevhen Makar, Chiara Cavalleri, and David Rose. "Open- and Cased- Hole Formation Evaluation Workflows Running Together for Reducing Uncertainties in Gas Reservoirs: An Acquisition Data and Evaluation Strategy in Dnieper-Donets Basin, Ukraine." In SPE Eastern Europe Subsurface Conference. SPE, 2021. http://dx.doi.org/10.2118/208558-ms.

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Abstract Formation evaluation using cased-hole logs is a primary option for re-evaluating old wells in brownfields or contingency logging in new wells. Its consistency with a robust open hole evaluation is vital for its future implementation in field development. This work describes detailed open- and cased- hole evaluation workflows integrating different advanced subsurface measurements and alternative interpretation techniques to reduce the uncertainties of deriving the main petrophysical properties across the conventional and tight gas reservoirs in the Dnieper-Donets basin. Since not all open-hole measurements can be recorded behind casing and some of the cased hole logs are not characterized for open hole conditions, it is not always possible to implement the same evaluation techniques for measurements done in open hole and cased hole. Nevertheless, different measurements provide different formation responses that supplement their gaps from one another. A wireline data acquisition strategy has been elaborated to carry out formation evaluation workflows using open- and cased-hole data independently but learning from each other. The methodology is based on novel and non-standard evaluation techniques that use measurements from advanced wireline technology such as nuclear magnetic resonance (NMR) and advanced pulsed neutron spectroscopy logs. The methodology was applied to log data recorded on the Visean and Serpukhovian (Lower Carboniferous) productive gas zones, characterized by porosity (5-15pu) and permeability (0.1-100mD). The principal challenge for the formation evaluation of these reservoirs is deriving an accurate estimation of porosity, which requires removing the gas and matrix effects on the log responses. An inaccurate porosity estimation will result in an inaccurate permeability and water saturation, and the problem worsens in low-porosity rocks. In the open hole, the porosity computation from the Density-Magnetic Resonance (DMR) technique has proven to be more accurate in comparison with common single porosity methods. The same problem is addressed in cased hole conditions with the advanced pulsed neutron spectroscopy logs and a novel technique that combines the thermal neutron elastic scattering and fast neutron cross sections to obtain a gas-free and matrix-corrected porosity, as well as a resistivity independent gas saturation. The consistency of petrophysical properties independently estimated from the two separate workflows add confidence to the approach, and this is reflected in the gas production obtained from the perforated intervals. This script describes in detail the open- and cased- hole formation evaluation workflows and the wireline technology and methodologies applied. Actual examples illustrate the effectiveness of these quantitative approaches in the Dnieper-Donets basin.
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3

Ernsteins, Raimonds, Ivars Kudrenickis, Janis Kaulins, and Anita Lontone-Ievina. "Pro-Environmental Municipal Governance Developments in Latvia: Sustainability and Integration Principles in the Practice." In Contemporary Issues in Business, Management and Education. Vilnius Gediminas Technical University, 2017. http://dx.doi.org/10.3846/cbme.2017.136.

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Studies being presented here have been done as initial part of wider research-and-developemnt (R&D) programme, aiming to investigate preconditions and all instruments set necessary for environmental governance adequate integration into legally required societal (sustainable) development governance/planning framework and municipal governance practice. This have been done studying governance by its triple complementary dimensions of governance content, governance process and governance stakeholders and approaching municipality as a complex and interactive socio-ecological system. Accordingly, pilot investigations have been done as various thematical case studies in preselected model municipalities – six studies/pilot studies, based on the integrated case study research methodology, including and complementary applying document studies, interviews, surveys, observations and focus groups. Existing development planning and other instruments combined with municipal planning capacities are neither sufficient nor effective, and, since step-wise developmental process for sustainability principle integration seems to be not perspective as quite similar also with integration principle as for complex planning process and also as for thematical meaning of integrations of environmental governance into develoment one. Since environmental sector planning documents are not mandatory anymore at local municipalities, environmental sector planning process and content in the development planning practice is often limited, but few ad hoc available and used formal environmental planning instruments are neither sufficient or used just temporaly. There is to be seen necessity to develop innovative methodologies and tools as done during this research-and-development project.
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Hung, Zhen-Yu, Pei-Hsun Huang, and Chao-Jen Li. "Identification of Gas Accumulation Susceptibility in NPP’s Safety Related Systems and Operability Evaluation due to Gas Transportation." In 2018 26th International Conference on Nuclear Engineering. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/icone26-81074.

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Instances of gas accumulation in the subject systems have occurred since the beginning of commercial nuclear power plant operation. NRC Generic Letter 2008-01, “requests that each licensee evaluate its ECCS, DHR system, and Containment Spray system licensing basis, design, testing and corrective actions to ensure that gas accumulation is maintained less than the amount that challenges operability of these systems, and that appropriate action is taken when conditions adverse to quality are identified.” All of the three NPPs have accomplished this evaluation and propose some corrective measures like revision of the operation procedures, installing the venting valves etc. Taipower also committed AEC to establish the acceptable quantity of the gas accumulation and continue to follow the development of gas transport methodologies in the industry. According to the NRC NRR Action Plan TAC.NO. ME3939 GAS MANAGEMENT (March 2011), other safety related systems, in additional to the systems covered by GL 2008-01, also have the gas accumulation issue and therefore must be concerned. This project will develop the numerical evaluation process with two phase flow software to simulate the gas accumulation and the transportation phenomena for the GL 2008-01 systems and validate the results by experimental analysis.
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Shetty, Devdas, and Daniel Ly. "Additive Manufacturing: Exploration of Porosity and Form Features Using Layer by Layer Deposition." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-88277.

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Aerospace companies use high-strength metal alloys like Inconel or Titanium which could be very difficult to fabricate using conventional methods. The current manufacturing techniques result in significant waste. Additive Manufacturing (AM), in its current state is not sufficiently understood, nor characterized such that conventional design practices and process qualification methodologies can be used. In addition, AM cannot be considered for the manufacture of aircraft components unless the process is stable and controlled. The mechanical properties of fabricated parts require to be characterized to demonstrate their invariability. The laser deposition using complex geometries is a challenge. In addition, the structural performances of AM parts have to be proved. Inherent in these requirements is the need to develop a process specification which requires the monitoring and control of key raw materials, consumables, and process parameters; the development of a fixed practice for each of the AM process. Several procedures are required in order to understand how additive manufacturing works using advanced and complex design models. The ability to adopt AM to the production of components is not only predicated on the ability of AM to be competitive with conventional manufacturing methods in terms of cost, but also on its ability to deliver parts with repeatable mechanical performance. The objective of this paper is to define and characterize the limitation of various complex geometries using additive manufacturing. The experimental research involved the creation of a number of specimens using direct metal laser sintering process, examination of their form features, documenting DMLS geometry limits for the form features and finally the creation of calibration models that can be used in aerospace design manuals.
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