Relevant bibliographies by topics / NMR titrations

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers

Academic literature on the topic 'NMR titrations'

Author: Grafiati
Published: 4 June 2021
Last updated: 26 July 2025

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Journal articles on the topic "NMR titrations"

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Pálla, Tamás, Károly Mazák, Dania Mohammed Alkhazragee, György Tibor Balogh, Béla Noszál, and Arash Mirzahosseini. "Comparison of Orthogonal Determination Methods of Acid/Base Constants with Meta-Analysis." International Journal of Molecular Sciences 25, no. 23 (2024): 12727. http://dx.doi.org/10.3390/ijms252312727.

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The accurate determination of acid/base constants (proton dissociation constants—pKa, or equivalently protonation constants—logK) is essential for the physicochemical characterization of new molecules, especially in drug design and development, as these parameters thoroughly influence the pharmacokinetics and pharmacodynamics of drug action. While pH/potentiometric titration remains the gold standard method for determining acid/base constants, spectroscopic techniques—particularly nuclear magnetic resonance spectroscopy (as NMR/pH titrations)—have emerged as powerful alternatives for specific
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Friedrich, Jan O., and Roderick E. Wasylishen. "A 1H and 13C nuclear magnetic resonance study of carnosine." Canadian Journal of Chemistry 64, no. 11 (1986): 2132–38. http://dx.doi.org/10.1139/v86-351.

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The proton and carbon-13 resonance signals of carnosine (β-alanyl-L-histidine) were unambiguously assigned using a variety of nmr techniques including proton–carbon chemical shift correlations, titrations of nmr chemical shifts, coupling constants, and isotope shifts. From the 13C nmr titration, carnosine's three pKa values were estimated to be 2.7, 7.1, and 10.6, and it was found that the imidazole ring existed predominantly as the 3-H tautomer in basic solution. Conformational information about the Cα—Cβ bond and about the N—Cα bond was deduced from observed 3J(C,H) and 3J(H,H) values. The 1
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Hägele, Gerhard. "NMR controlled titrations characterizing organophosphorus compounds." Phosphorus, Sulfur, and Silicon and the Related Elements 194, no. 4-6 (2018): 361–63. http://dx.doi.org/10.1080/10426507.2018.1543304.

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Urquijo, Cielo, Miguel Vela, Roger Sarmiento, and Mauricio Maldonado. "Molecular Interaction of Water-Soluble Resorcinarenes for Potential Choline Detectors." Processes 13, no. 2 (2025): 553. https://doi.org/10.3390/pr13020553.

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The molecular interactions of water-soluble crown resorcinarenes with choline were analyzed. To this end, four sulfonated resorcinarenes were synthesized and characterized by ATR-IR, 1H-NMR, and 13C-NMR spectroscopy. The molecular interaction studies with choline were carried out through FT-IR spectroscopy, 1H-NMR titrations, and conductimetric titrations, with which it was possible to determine that the complexes formed 1:1 stoichiometries with the host, in addition to showing good interaction in the electronic cavity of the macrocycle, demonstrating great potential for host–guest systems for
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Mucci, Adele, Luisa Schenetti, Maria A. Vandelli, Barbara Ruozi та Flavio Forni. "Evidence of the Existence of 2:1 Guest–Host Complexes between Diclofenac and Cyclodextrins in D2O Solutions. A 1H and 13C NMR Study on Diclofenac/β-Cyclodextrin and Diclofenac/2-Hydroxypropyl-β-cyclodextrin Systems". Journal of Chemical Research 23, № 7 (1999): 414–15. http://dx.doi.org/10.1177/174751989902300705.

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The interaction of diclofenac sodium salt (DCFNa) and two cyclodextrins, β-cyclodextrin (βCD) and 2-hydroxypropyl-β-cyclodextrin (HPβCD), studied in D2O solution with different NMR techniques (1H, 13C NMR, ROESY experiments, NMR titrations), shows the existence of multiple equilibria involving 1:1 and 2:1 guest–host complexes.
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Beaumont, Christelle, Cristiana Stuani, Ming-Yuan Chou, et al. "hnRNP A1 induces aberrantCFTRexon 9 splicing via a newly discovered ESS element." Life Science Alliance 8, no. 9 (2025): e202402720. https://doi.org/10.26508/lsa.202402720.

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RNA–protein interactions play a key role in the aberrant splicing ofCFTRexon 9. Exon 9 skipping leads to the production of a nonfunctional chloride channel associated with severe forms of cystic fibrosis. The missplicing depends on TDP-43 binding to an extended UG-rich binding site upstream ofCFTRexon 9 3′ splicing site (3′ss) and is associated with concomitant hnRNP A1 recruitment. Although TDP-43 is the dominant inhibitor of exon 9 inclusion, the role of hnRNP A1, a protein with two RNA recognition motifs, remained unclear. In this work, we have studied the interaction between hnRNP A1 and t
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Qiu, J., B. Song, X. Li, and A. F. Cozzolino. "Solution and gas phase evidence of anion binding through the secondary bonding interactions of a bidentate bis-antimony(iii) anion receptor." Physical Chemistry Chemical Physics 20, no. 1 (2018): 46–50. http://dx.doi.org/10.1039/c7cp05933g.

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Boknevitz, Katherine, Clovis Darrigan, Anna Chrostowska та Shih-Yuan Liu. "Cation–π binding ability of BN indole". Chemical Communications 56, № 26 (2020): 3749–52. http://dx.doi.org/10.1039/d0cc00869a.

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Yu, Shuna, Wei Zhao, and Biao Wu. "Quantitative Determination of Anion Binding Strenght with A Tripodal Hexaurea Receptor." Advances in Engineering Technology Research 6, no. 1 (2023): 234. http://dx.doi.org/10.56028/aetr.6.1.234.2023.

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Anions are ubiquitous, and their related activities are closely related to human life and production. Thus, study of anion recognition is significant by understanding the binding affinity and selectivity. The tripodal hexaurea receptor has three flexible arms that can form an interior cavity for anion binding. Yet its anion binding property remains unclear. Here, by taking hexyl chain substituted hexaurea receptor as an example, we quantitatively determined the anion binding affinities by using 1H NMR titrations. The chloride binding affinity was determined by direct titration, and the sulfate
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H�gele, Gerhard, Zolt�n Szak�cs, Johannes Ollig, Stephan Hermens, and Christian Pfaff. "NMR-controlled titrations: characterizing aminophosphonates and related structures." Heteroatom Chemistry 11, no. 7 (2000): 562–82. http://dx.doi.org/10.1002/1098-1071(2000)11:7<562::aid-hc16>3.0.co;2-v.

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Dissertations / Theses on the topic "NMR titrations"

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McGrath, Jacqueline. "Advances in Supramolecular Catalysis: Studies of Bifurcated Hamilton Receptors." Thesis, University of Oregon, 2016. http://hdl.handle.net/1794/19691.

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Bidentate ligands are a commonly used class of ligands in catalysis that generate highly-active and selective catalysts. Such bidentate ligands, however, often suffer from synthetic challenges, which can be alleviated by the use of simpler monodentate ligands that assemble through non-covalent interactions to mimic the structure of bidentate ligands at the metal center. To produce a strongly assembled catalyst complex, the Hamilton receptor motif was utilized. Hamilton receptors form six hydrogen bonds with complementary guests and have binding affinities for barbiturates of up to 104 M-1 in C
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Augner, Sven Thomas. "Neue Entwicklungen zur Durchführung automatisierter NMR-kontrollierter Titrationen von Phosphon- und Phosphinsäuren." [S.l.] : [s.n.], 2002. http://deposit.ddb.de/cgi-bin/dokserv?idn=964783274.

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Aw, Hong Wai. "Comparative binding studies with a tetraurea picket porphyrin receptor using 1H NMR and isothermal titration calorimetry." Thesis, Wichita State University, 2010. http://hdl.handle.net/10057/3664.

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The (α, α, α, α)-5,10,15,20-tetrakis(2-(4-fluorophenylurea)phenyl)porphyrin binds strongly (K(M-1)>104) to the chloride anion and close to 2-3 orders of magnitude less to the acetate anion, in DMSO-d6 as revealed by 1H NMR titration studies. However, the acetate anion showed stronger binding than the chloride anion when ITC analyses were done. Thus, the binding studies' results vary with the use of instrumental method. Other significant differences and similarities observed in the behavior of anion binding with the porphyrin receptor when using the two probes will also be addressed in this rep
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Bolz, Ina. "Chromophore Barbitursäure-Derivate als schaltbare opto-chemische Sensoren für Nukleinbasen und verwandte Verbindungen." Doctoral thesis, Universitätsbibliothek Chemnitz, 2009. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-200901505.

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Gegenstand der vorliegenden Arbeit ist die Synthese und Strukturaufklärung von neuartigen, chromophoren Barbituraten, welche als selektive Chemosensoren verwendet werden können. Als Schlüsselverbindungen dienten 5-(4-Nitrophenyl)-barbiturate, deren Enolisierungsfähigkeit systematisch untersucht wurden. Des Weiteren konnten SCHIFFschen Basen, Pyridinium-Barbiturat-Betain-Farbstoffe sowie ein fluoreszenzaktive Naphthalimid synthetisiert werden, in welchen der Barbitursäure-Substituent ebenfalls elektronenschiebende Eigenschaften aufweist. Die individuelle Interaktion der Barbiturate mit der Solv
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VIDOVIC, NIKOLINA. "SYNTHESIS AND ION BINDING PROPERTIES OF CYCLIC HOMOPEPTIDES." Doctoral thesis, Università degli Studi di Milano, 2018. http://hdl.handle.net/2434/575834.

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Synthesis and ion binding properties of cyclic homopeptides Starting from the isolation of the antibiotic Gramicidin S, the first biologically active cyclopeptide identified in 1944, cyclic peptides have attracted increasing interest due to their unique chemical and biological properties. In cyclic peptides the amino acidic chains are closed in the ring to give structures with reduced conformational freedom compared to linear precursors. As a consequence, cyclic peptides generally have greater resistance to in vivo enzymatic degradation, greater bioavailability and ultimately greater bindin
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Szakács, Zoltán. "NMR-Titrationen und neue Auswertekonzepte zur Aufklärung der mikroskopischen Dissoziation und der pH-abhängigen Konformation von biorelevanten Phosphinsäuren und Carnosinderivaten." [S.l. : s.n.], 2002. http://deposit.ddb.de/cgi-bin/dokserv?idn=968426891.

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Börjesson, Ulf Börjesson Ulf Erik. "Electrostatic interactions in computer simulations of biomolecular systems : influence of system size, solvation, and titration /." [S.l.] : [s.n.], 2004. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=15454.

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Xu, Shenyuan. "Nuclear Magnetic Resonance Spectroscopy Studies of At2g44920, a Pentapeptide Repeat Protein from Arabidopsis thaliana and X-ray Crystallography, Isothermal Titration Calorimetry Studies of K-Ras, a Human Oncogenic GTP-ase Signaling Protein." Miami University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=miami1500896385881469.

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Bertaut, Éléonore. "Développement de nouvelles méthodologies pour la calorimétrie de titration isotherme : Applications aux domaines de l'environnement et de la santé." Thesis, Littoral, 2016. http://www.theses.fr/2016DUNK0424/document.

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Ce travail de thèse a été consacré au développement de nouvelles méthodologies de caractérisation des affinités intermoléculaires par le biais de la calorimétrie de titration isotherme (ITC), après validation de systèmes modèles par l'intermédiaire des spectroscopies UV-visible, RMN et de l'électrophorèse capillaire. Nous avons en particulier montré que la mise en place et le couplage d'expériences non conventionnelles avec les protocoles classiques permettait d'améliorer la caractérisation calorimétrique, avec notamment une diminution parfois spectaculaire des incertitudes liées aux paramètre
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Garcia, Uceda Laia. "Utilización de la espectroscopia NIR en el análisis de identificación y control de calidad de productos farmacéuticos liofilizados." Doctoral thesis, Universitat Autònoma de Barcelona, 2020. http://hdl.handle.net/10803/670519.

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Aquesta tesi aborda la millora de la qualitat dels productes farmacèutics liofilitzats. En termes generals, el procés de liofilització consisteix a eliminar, per sublimació i desorció, l’aigua de la solució de medicaments congelats. El contingut d’humitat residual (RMC) en un producte liofilitzat es considera un atribut crític de qualitat (CQA) i la quantificació d’aquest atribut proporciona informació sobre com s’ha desenvolupat el cicle de liofilització i sobre l’evolució de la qualitat del producte durant la seva vida útil. D’altra banda, les formulacions de productes farmacèutics liofilitz
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Books on the topic "NMR titrations"

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Hermans, Greet. Effects of Insulin and Glycaemic Management on Neuromuscular Function. Oxford University Press, 2014. http://dx.doi.org/10.1093/med/9780199653461.003.0042.

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Observational studies have indicated an association between stress-induced hyperglycaemia and neuromuscular complications in critically ill patients. This observation is further supported by electrophysiological findings from two randomized controlled trials which suggested that titrating insulin therapy to achieve a normal blood glucose has a beneficial effect on neuromuscular function, associated with a reduced need for prolonged mechanical ventilation. The underlying pathophysiological mechanisms explaining these clinical observations are not well understood. There is no clear evidence that
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Book chapters on the topic "NMR titrations"

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Choi, Seo-Ree, Kwang-Im Oh, Yeo-Jin Seo, and Joon-Hwa Lee. "NMR Titration Studies in Z-DNA Dynamics." In Methods in Molecular Biology. Springer US, 2023. http://dx.doi.org/10.1007/978-1-0716-3084-6_5.

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Mellor, Desirae A., Javier O. Sanlley, and Michael Burkart. "Using NMR Titration Experiments to Study E. coli FAS-II- and AcpP-Mediated Protein–Protein Interactions." In Methods in Molecular Biology. Springer US, 2023. http://dx.doi.org/10.1007/978-1-0716-3214-7_3.

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Graber, Zachary T., and Edgar E. Kooijman. "Ionization Behavior of Polyphosphoinositides Determined via the Preparation of pH Titration Curves Using Solid-State 31P NMR." In Methods in Molecular Biology. Humana Press, 2013. http://dx.doi.org/10.1007/978-1-62703-401-2_13.

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Kim, Ju Yaen, Takahisa Ikegami, Yuji Goto, Toshiharu Hase, and Young-Ho Lee. "Investigation of Protein-Protein Interactions of Ferredoxin and Sulfite Reductase Under Different Sodium Chloride Concentrations by NMR Spectroscopy and Isothermal Titration Calorimetry." In Proceedings of the International Plant Sulfur Workshop. Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-20137-5_17.

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de Levie, Robert. "The measurement of pH, and its interpretation." In Aqueous Acid-Base Equilibria and Titrations. Oxford University Press, 1999. http://dx.doi.org/10.1093/hesc/9780198506171.003.0007.

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This chapter explores some of the practical aspects of pH measurements. While measuring the pH is nowadays both easy and common practice, the interpretation of what is being measured is not quite so simple. The pH of a solution can be measured either electrometrically or spectrometrically. Spectrometry provides many different methods, the most common of which is visible or near-ultraviolet absorption spectrometry using indicator dyes, i.e. acid-base systems that exhibit a pH-dependent change in their spectra. Other methods include the Hammett acidity function and nuclear magnetic resonance (NM
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Wemmer, D. "Design and Characterization of New Sequence Specific DNA Ligands." In Biological NMR Spectroscopy. Oxford University Press, 1997. http://dx.doi.org/10.1093/oso/9780195094688.003.0026.

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During the early 1980s there were two developments which lead to our studies of sequence specific DNA ligands. The first was the development of sequential assignment methods based on 2D NMR spectra which allowed complete assignment of resonances for proteins (Wüthrich, 1986). The assignments in turn allowed determination of many structural restraints through interpretation of NOESY crosspeaks and coupling constants from COSY type spectra. The second advance was the improvement of the chemistry for direct synthesis of DNA oligomers. With multimilligram samples of DNA oligomers available sequent
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Nielsen, Jens Erik. "Analyzing Protein NMR pH-Titration Curves." In Annual Reports in Computational Chemistry. Elsevier, 2008. http://dx.doi.org/10.1016/s1574-1400(08)00005-4.

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Mittermaier Anthony and Farber Patrick. "NMR and Calorimetry of Biological Systems." In Advances in Biomedical Spectroscopy. IOS Press, 2011. https://doi.org/10.3233/978-1-60750-695-9-435.

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Nuclear magnetic resonance (NMR) spectroscopy, isothermal titration calorimetry (ITC), and differential scanning calorimetry (DSC) provide different, yet highly complementary views of biomolecular dynamics and energetics. NMR quantifies internal motions over a wide range of time scales with atomic resolution. Calorimetry is extremely sensitive to the energetics of conformational transitions and macromolecular interactions. Together, they can yield detailed, quantitative descriptions of biomolecular function that are inaccessible to any of the techniques alone. This Chapter outlines the ITC, DS
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BUNDI, ARNO, and KURT WÜTHRICH. "Use of Amide 1H-NMR Titration Shifts for Studies of Polypeptide Conformation." In NMR in Structural Biology. WORLD SCIENTIFIC, 1995. http://dx.doi.org/10.1142/9789812795830_0062.

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Lian, Lu-Yun. "NMR studies of protein-ligand interactions." In Protein-Ligand Interactions: structure and spectroscopy. Oxford University PressOxford, 2001. http://dx.doi.org/10.1093/oso/9780199637508.003.0010.

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Abstract The interactions between pairs of molecules are crucial in many molecular recognition processes in biology, the main examples being found in complexes of proteins with other proteins (e.g. in signalling processes), with small molecules (e.g. enzyme-substrate or protein-drug interactions), and with nucleic acids (e.g. protein-RNA complexes, transcription factors with DNA). Like many other bio-physical techniques, nuclear magnetic resonance (NMR) provides information about protein-ligand interactions. However, unlike many of the other techniques such a fluorescence spectroscopy, isother
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Conference papers on the topic "NMR titrations"

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Smith, M., J. A. Ware, E. T. Fossel, and E. W. Salzman. "MEASUREMENT OF CYTOPLASMIC [MG++] IN PLATELETS BY NMR AND NULL-POINT TITRATION WITH ATOMIC ABSORPTION SPECTROSCOPY." In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1642818.

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Magnesium is a cofactor for phosphatases, kinases, and synthetases in all cells, and thus the cytoplasmic [Mg++] influences most intracellular processes. The concentration of cytoplasmic free Mg++ varies considerably among different cell types and has been measured in platelets, as most techniques for [Mg++] measurement are suitable only for cells large enough to microinject. Incorrect estimates of this value could markedly affect many Intracellular investigations, including calibration of platelet [Ca++] with aequorin and other Ca++ -sensitive probes. We measured cytoplasmic free [Mg++] by tw
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Mic, Mihaela, Adrian Pı̂rnău, Mircea Bogdan та Ioan Turcu. "Inclusion complex of benzocaine and β-cyclodextrin: [sup 1]H NMR and isothermal titration calorimetry studies". У PROCESSES IN ISOTOPES AND MOLECULES (PIM 2013). AIP, 2013. http://dx.doi.org/10.1063/1.4833697.

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Chachibaia, Tamar, and Manuel Pastor. "14N NMR Spectroscopy for detection of binding interaction between sodium azide and hydrated Fullerene by titration method." In MOL2NET, International Conference on Multidisciplinary Sciences. MDPI, 2015. http://dx.doi.org/10.3390/mol2net-1-b010.

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Kinaci, Emre, John Chea, Kirti Yenkie, and Kylie Howard. "Converting Birch Bark Extracts into Bio-based Thermosets." In 2022 AOCS Annual Meeting & Expo. American Oil Chemists' Society (AOCS), 2022. http://dx.doi.org/10.21748/wcih1760.

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Birch tree barks are regarded as waste in the pulp and papermaking industry and used as fuel. However, this material presents a source that contains many bio-based chemicals suitable for applications ranging from pharmaceuticals, plastics and composites, coatings, and antifeedants. Among the mixture of bio-derived chemicals in birch barks, triterpenoids, such as betulin, betulinic acid, and lupeol, can be present up to 30% weight of dry bark mass. They are highly valued for their anti-tumor, HIV, and inflammatory responses. In our presented work, triterpenoid mixtures were extracted through a
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Gaudreault, Roger, M. A. Whitehead, and Theo G. M. van de Ven. "Mechanisms of Flocculation of Microcrystalline Cellulose by Poly(ethylene oxide) and Cofactor Corilagin." In Advances in Paper Science and Technology, edited by S. J. I’Anson. Fundamental Research Committee (FRC), Manchester, 2005. http://dx.doi.org/10.15376/frc.2005.2.1269.

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Poly(ethylene oxide) (PEO), a widely known flocculation agent used primarily as a fines retention aid in mechanical grade papers, has its efficiency enhanced by various compounds, known as cofactors. These cofactors form a complex with PEO, which acts as an efficient bridging agent for fines flocculation. The nature of the PEO/cofactor complex is mainly unknown, and it was originally believed that the association was driven by hydrogen bonding. Therefore it was decided to investigate the complex formation in more detail. As a model system we studied PEO and a model cofactor, corilagin, a precu
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Balaga, Dileep Kumar, and Sandeep D. Kulkarni. "Investigation of Thermal Degradation Kinetics of Synthetic Polymers in High-Performance Water-Based Muds for Designing Drilling Automation Processes for Viscosity and Fluid-Loss Control." In Gas & Oil Technology Showcase and Conference. SPE, 2023. http://dx.doi.org/10.2118/214134-ms.

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Abstract For the purpose of engineering the drilling automation processes, it is necessary to explore the effects of thermal-degradation kinetics of synthetic polymers on the performance in different brine-based drilling muds in terms of time-dependent viscosity and fluid-loss control response. In this regard, three different synthetic acrylamide polymers with molecular weights between 2.8 to 3 million DU and sulfonation range between 15 to 40% are studied in sodium bromide (NaBr) brine based drilling mud systems. To achieve the substitution during the polymerization process, the sodium salt o
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Orthner, Carolyn L., Prabir Bhattacharya, and Dudley K. Strikland. "PURIFICATION AND CHARACTERIZATION OF A PROTEIN C ACTIVATOR FROM THE VENOM OF AGKISTRODON CONTORTRIX CONTORTRIX." In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1643813.

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There are two recent reports on the purification and properties of a protein C activator (PCA) from the venom of the Southern copperhead snalce. The purification of a 37,000 Mr nonenzymatic PCA (Martinoli and Stocker, Thrcmb. Res. 43, 253, 1976) as well as of a 20,000 Mr thrombin-like enzyme (Klein and Walker, Biochem. ,25, 4175, 1986) have been described. The purpose of this investigation was to purify and further characterize the PCA(s) from this vencm. A PCA has been isolated by sulphopropyl-Sephadex followed by gel filtration chromatography resulting in approximately a 100-fold purificatio
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