NMR and FTIR studies of clustering of water molecules: From low-temperature matrices to nano-structured materials used in innovative medicine

Kristinaitytė, Kristina; Dagys, Laurynas; Kausteklis, Jonas; Klimavičius, Vytautas; Doroshenko, I.; Pogorelov, V.; Valevičienė, Nomeda; Balevičius, Vytautas

doi:10.1016/j.molliq.2016.11.076

Cited by 30 publications

(20 citation statements)

References 31 publications

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“…It must be pointed out that the last region (peaks above ~2 ppm) varies greatly depending on random changes in synthesis conditions such as the rate and order of adding reactants, stirring or vibration modes, humidity, etc. Therefore, huge variations were observed in reported results [43][44][45][46][47][48][49] as well as in the spectra shown in Figure 3 (top left in particular). It is advisable not to make quantitative claims based on the peaks in this region (please refer to the 2D HETCOR spectra discussed, below which offer far more consistent results).…”

Section: Solid-state Nmrmentioning

confidence: 95%

Varying Synthesis Conditions and Comprehensive Characterization of Fluorine-Doped Hydroxyapatite Nanocrystals in a Simulated Body Fluid

et al. 2022

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Bone supports animal bodies, is the place where blood is produced, and is essential for the immune system, among other important functions. The dominant inorganic component in bone is hydroxyapatite (Hap), the structure and dynamics of which still pose many unsolved puzzles. An updated understanding of HAp is of great significance to osteology, dentistry, and the development of artificial bone and other biomaterials. In this work, HAp nanoparticles were synthesized with the wet chemical precipitation method and their structure and morphologies were controlled by varying pH and adding fluoride ions by two different routes: (1) fluoride ions were added during synthesis, and (2) fluoride ions were introduced after the samples were synthesized by soaking the samples in solutions with fluoride ions. XRD and HRTEM were employed to confirm the composition and structure, while various multinuclear (1H, 19F, 31P) solid-state nuclear magnetic resonance (NMR) methods including 1D single pulse, cross-polarization under magic-angle spinning (CPMAS), and 2D heteronuclear correlation (HETCOR) were used to characterize the structure, morphology, and dynamics, validating the general core-shell morphology in these F-HAp samples. It was found that all hydroxide ions were substituted when the fluoride ion concentration was above 0.005 M. An NMR peak corresponding to water structure emerged and the bulk water peak was shifted upfield, indicating that fluoride substitution modifies both the crystalline core and the amorphous shell of F-HAp nanoparticles. With the second route of fluoride substitution, increases in soaking time or fluoride ion concentration could increase fluoride substitution in HAp, but could not achieve complete substitution. Finally, with 1H-31P CPMAS and HETCOR, it was established that there are two types of phosphorous, one in the crystalline core (PO43−) and the other in the amorphous shell (HPO42-). These results are valuable for clarifying the fluoride substitution mechanism in HAp in biomaterials or in organisms, and provide insights for developing next generation replacement materials for bone, tooth, or coating films, drug delivery systems, etc.

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Section: Solid-state Nmrmentioning

confidence: 95%

Varying Synthesis Conditions and Comprehensive Characterization of Fluorine-Doped Hydroxyapatite Nanocrystals in a Simulated Body Fluid

et al. 2022

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“…Consider a sample of MCM-41 An NMR study of fluids in confinement is in demand today. The main attention has been focused on water and water-alcohol mixtures [59][60][61][62][63][64][65]. Some other substances have been studies as well [66][67][68][69][70].…”

Section: H Nmrmentioning

confidence: 99%

Solid State NMR for Nonexperts: An Overview of Simple but General Practical Methods

Shenderovich

Limbach

2021

Solids

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There are varieties of methods available for the exploration of solids using nuclear magnetic resonance (NMR) spectroscopy. Some of these methods are quite sophisticated, others require specialized equipment. This review is addressed to those for whom NMR is not the main research method. It discusses simple methods that can be applied to solids with little or no adaptation to a specific system. Despite their technical simplicity and ease of use, these methods are powerful analytical tools that provide unique insights into the structure, dynamics, and noncovalent interactions in homo- and heterogeneous systems. Particular attention is paid to the characterization of porous materials and solids containing phosphorus. 31P NMR of organometallic compounds has been used as an example of how theoretical calculations can help in deeper analysis of experimental data.

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“…патиту кальцію можуть бути присутні невеликі кластери води [6]. Присутність навіть невеликої кількості води може істотно впливати на фізичні та хімічні властивості мінералів, отже інформація про особливості взаємодії молекул води з такими наноструктурованими матеріалами може виявитись дуже корисною з практичної точки зору, зважаючи на широке їх застосування в стоматології, ортопедії, косметології, щелепно-лицевій хірургії, де здебільшого вони перебувають у водному середовищі.…”

Section: фізикаunclassified

Luminescence of calcium hydroxyapatite at Xray irradiation

Doroshenko¹,

Подуст²,

Degoda³

2020

Dopov. Nac. akad. nauk Ukr.

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В інноваційній медицині широко використовуються синтетичні наноструктуровані матеріали. Особливе місце серед цих застосувань займає гідроксилапатит кальцію Ca 10 (PO 4) 6 (OH) 2 , який є надзвичайно подібним до головної мінеральної складової твердих тканин (кісткова тканина, зубна емаль, дентин тощо) і тому має високу біосумісність з ними [1, 2]. Гідроксилапатит кальцію штучно синтезується і застосовується як наповнювач штучних кісток, для виготовлення імплантатів тощо [3-5]. В порожнинах наноструктурованого гідроксила

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NMR and FTIR studies of clustering of water molecules: From low-temperature matrices to nano-structured materials used in innovative medicine

Cited by 30 publications

References 31 publications

Varying Synthesis Conditions and Comprehensive Characterization of Fluorine-Doped Hydroxyapatite Nanocrystals in a Simulated Body Fluid

Varying Synthesis Conditions and Comprehensive Characterization of Fluorine-Doped Hydroxyapatite Nanocrystals in a Simulated Body Fluid

Solid State NMR for Nonexperts: An Overview of Simple but General Practical Methods

Luminescence of calcium hydroxyapatite at Xray irradiation

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