scholarly journals Analysis of NMR Spectra of Submicro-Containers with Biocide DCOIT

2020 ◽  
Vol 4 (4) ◽  
pp. 56
Author(s):  
Saule B. Aidarova ◽  
Assem B. Issayeva ◽  
Altynay A. Sharipova ◽  
Dmitry O. Grigoriev ◽  
Reinhard Miller ◽  
...  
Keyword(s):  
Zeta Potential ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Modern Science ◽  
Sio2 Nanoparticles ◽  
Scattering Method ◽  
Self Healing ◽  
Actual Problem ◽  
Nanosized Materials ◽  
Dynamic Light Scattering Method

Nowadays, the search for and development of new forms of materials with biocides is an actual problem of the modern science of nanosized materials due to the problem of microbiological contamination, which can be solved by using nanocontainers carrying biocides. Depending on the morphology of the nanocontainers and the filled active agents, it is possible to create coatings with specially designed self-healing functionality or multifunctional properties. The purpose of this work was to produce submicro-containers (SMCs) with a shell of SiO2 nanoparticles and a core of polymerized 3-(trimethoxysilyl) propyl methacrylate filled with 5-dichloro-2-n-octyl-4-isothiazolin-3-one (DCOIT) in an oil in water (O/W) emulsion. The chemical nature of the individual components of the system and nano-capsules were investigated using NMR spectroscopy. The size and zeta potential of the SMCs were measured by a dynamic light scattering method (d = 170–180 nm, polydispersity index PDI = 0.125 and zeta-potential = 55 mV), the morphology of their outer surface was determined using SEM. The results of NMR analysis showed that during the addition of the biocide into the SMCs, its chemical structure is retained, as is its activity. Minor changes in the chemical shifts of the 1H NMR spectra of the SMCs with DCOIT, as well as of the biocide itself, confirm the inclusion of DCOIT inside the SMCs.

Interaction between Cationic Micelles and Hyaluronan

2016 ◽  
Vol 851 ◽  
pp. 26-31
Author(s):  
Tereza Pilgrová ◽  
Miloslav Pekař
Keyword(s):  
Molecular Weight ◽  
Light Scattering ◽  
Dynamic Light Scattering ◽  
Zeta Potential ◽  
Inner Core ◽  
Biologically Active ◽  
Scattering Method ◽  
Dynamic Light Scattering Method ◽  
Study Results ◽  
Solubilization Ability

Micelles are particles of colloidal dimension and it is known that in an aqueous phase can solubilize water insoluble molecules (hydrophobic biologically active substances) in their inner core. However surfactants may have adverse effects on biological structures. Association of micelles with suitable bioacceptable molecules (e.g. hyaluronan) may lead to enhance their biocompatibility, decrease the nanoparticles cytotoxicity and also to target to the specific receptors in a human body. In this study, results of the research of electrostatic coating of cationic micelle with hyaluronan are reported. The cationic micelle/hyaluronan complexes were studied using turbidimetry and dynamic light scattering method and were evaluated to determine their structure, average size and zeta potential as a function of the amount of the both component in the system. Turbidimetric titration was chosen as indicator of the loss of intensity of transmitted light due to the scattering effect of particles associated from hyaluronan and surfactant in it. Dynamic light scattering measurement provided information about size distribution and zeta potential during mixing of component. Pilot solubilization experiments were performed to evaluation of stability and solubilization ability of the complexes. Results of turbidimetry revealed that aggregates formation (turbidity increasing) depends especially on hyaluronan concentration while surfactant concentration (above critical micelle concentration) affects interaction insignificantly. Dynamic light scattering experiments indicate that hyaluronan molecular weight has insignificant effect on isoelectric point of the systems. It was found that solubilization ability of the complexes is influenced by molecular weight of hyaluronan.

Some Considerations Regarding the 1H and 13C Spectra of 4-(1-azulenyl)-2,6-bis(2-heteroaryl-vinyl)- pyrylium and Pyridinium and their Corresponding Pyridines

2018 ◽  
Vol 69 (1) ◽  
pp. 64-69
Author(s):  
Liviu Birzan ◽  
Mihaela Cristea ◽  
Constantin C. Draghici ◽  
Alexandru C. Razus
Keyword(s):  
Double Bond ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Pyridinium Salts ◽  
13C Nmr Spectra ◽  
1H And 13C Nmr ◽  
Pyrylium Salts

The 1H and 13C NMR spectra of several 2,6-diheteroarylvinyl heterocycles containing 4-azulenyl moiety were recorded and their proton and carbon chemical shifts were compared with those of the compounds without double bond between the heterocycles. The influence of the nature of central and side heterocycles, molecule polarization and anisotropic effects were revealed. The highest chemical shifts were recorded for the pyrylium salts and the lowest at pyridines, but in the case of the pyridinium salts, the protons chemical shifts at the central heterocycle are more shielded due to a peculiar anisotropy of the attached vinyl groups.

17O and 13C NMR spectra of some geminal diacetates

1988 ◽  
Vol 53 (3) ◽  
pp. 588-592 ◽  
Author(s):  
Antonín Lyčka ◽  
Josef Jirman ◽  
Jaroslav Holeček
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
The Other ◽  
13C Nmr Spectra ◽  
Other Hand ◽  
Carboxylic Esters ◽  
C Nmr ◽  
Oxygen Atoms

The 17O and 13C NMR spectra of eight geminal diacetates RCH(O(CO)CH3)2 derived from simple aldehydes have been measured. In contrast to the dicarboxylates R1R2E(O(CO)R3)2, where E = Si, Ge, or Sn, whose 17O NMR spectra only contain a single signal, and, on the other hand, in accordance with organic carboxylic esters, the 17O NMR spectra of the compound group studied always exhibit two well-resolved signals with the chemical shifts δ(17O) in the regions of 183-219 ppm and 369-381 ppm for the oxygen atoms in the groups C-O and C=O, respectively.

Carbon-13 and nitrogen-14 NMR spectra of 1-(substituted phenyl)pyridinium salts

1980 ◽  
Vol 45 (10) ◽  
pp. 2766-2771 ◽  
Author(s):  
Antonín Lyčka
Keyword(s):  
Heavy Water ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Pyridinium Salts ◽  
Nmr Signals ◽  
C Nmr

The 13C and 14N NMR spectra of 1M solutions of 1-(substituted phenyl)pyridinium salts (4-CH3, 4-OCH3, H, 4-Cl, 4-Br, 4-I, 3-NO2, 4-NO2, 2,4-(NO2)2 (the 13C NMR only)) have been measured in heavy water at 30 °C. The 13C and 14N chemical shifts, the 1J(CH) coupling constants, some 3J(CH) coupling constants, and values of half-widths Δ 1/2 of the 14N NMR signals are given. The 13C chemical shifts of C(4) correlate with the σ0 constants (δC(4) = (1.79 ± 0.097) σ0 + (147.67 ± 0.041)), whereas no correlation of the nitrogen chemical shifts with the σ constants has been found. The half-widths Δ 1/2 correlate with the σ0 constants (Δ 1/2 = (76.2 ± 4.9) σ0 + (106.4 ± 2.2)) except for 1-phenylpyridinium chloride.

Proximity and conformation effects in 29Si and 13C NMR spectra of di-ortho substituted trimethylsiloxybenzenes

1990 ◽  
Vol 55 (8) ◽  
pp. 2027-2032 ◽  
Author(s):  
Jan Schraml ◽  
Robert Brežný ◽  
Jan Čermák
Keyword(s):  
Benzene Ring ◽  
13C Nmr ◽  
Proximity Effect ◽  
Nmr Spectra ◽  
Methoxy Group ◽  
Chemical Shifts ◽  
Proximity Effects ◽  
13C Nmr Spectra ◽  
Methoxy Groups ◽  
C Nmr

29Si and 13C NMR spectra of five 4-substituted 2,6-dimethoxytrimethylsiloxybenzenes were studied with the aim to elucidate the nature of the deshielding proximity effects observed in the spectra of ortho substituted trimethylsiloxybenzenes. The sensitivity of 29Si chemical shifts to para substitution is in the studied compounds essentially the same as in mono ortho methoxytrimethylsiloxybenzenes. The deshielding proximity effect of the ìsecondî methoxy group is somewhat smaller than that of the ìfirstî group. The present results indicate that the two methoxy groups assume coplanar conformations with the benzene ring and are turned away from the trimethylsiloxy group which is not in the benzene plane. It is argued that in mono ortho methoxytrimethylsiloxybenzenes the two substituent groups adopt the same conformations as in the compounds studied here.

1H, 13C and 15N NMR Spectra of Coupling Products of Benzenediazonium Salts with Aliphatic Nitro Compounds and Study of Their E/Z Isomerism

1996 ◽  
Vol 61 (4) ◽  
pp. 589-596 ◽  
Author(s):  
Antonín Lyčka
Keyword(s):  
Dimethyl Sulfoxide ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Nitro Compounds ◽  
Coupling Constants ◽  
15N Nmr ◽  
Geometrical Isomers ◽  
Sodium Salts ◽  
Aliphatic Nitro Compounds ◽  
Tautomeric Forms

The 1H, 13C and 15N NMR spectra have been measured of coupling products of benzenediazonium salts with nitromethane, nitroethane, 1-nitropropane, 2-nitroethanol and of their sodium salts, and the chemical shifts have been unambiguously assigned. The coupling products have been found to exist only in their hydrazone tautomeric forms. Stereospecific behaviour of the coupling constants 2J(15N,1H) and 2J(15N,13C) in the 15N isotopomers and NOESY have been used to differentiate between the E and Z geometrical isomers. The above-mentioned compounds exist as Z isomers in deuteriochloroform and predominantly (>95%) as E isomers in dimethyl sulfoxide, while the sodium salts are present only as E isomers in dimethyl sulfoxide.

The High Resolution NMR Spectra of Pesticides. II. The DDT-Type Compounds

1969 ◽  
Vol 52 (5) ◽  
pp. 1074-1092 ◽  
Author(s):  
L H Keith ◽  
A L Alford ◽  
A W Garrison
Keyword(s):  
Nuclear Magnetic Resonance ◽  
High Resolution ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Aromatic Rings ◽  
Nuclear Magnetic Resonance Spectra ◽  
High Resolution Nmr ◽  
Related Compounds ◽  
Deshielding Effect

Abstract The high resolution nuclear magnetic resonance spectra of the DDT class of pesticides and related compounds are discussed, including a study of the resonances of the aromatic protons as they are affected by various substiluents. The CCl3 moiety on the α-carbon strongly deshields the ortho protons on the aromatic rings, and this deshielding effect is greatly enhanced by substitution of a chlorine ortho rather than para on the aromatic ring. These deshielding effects are explained by a consideration of the electronegativity of the substituents and the stereochemistry of the molecule. The chemical shifts and coupling constants are tabulated.

scholarly journals 13C and 1H NMR Spectra of Synthetic (25R)-5α-Spirostanes

1999 ◽  
Vol 23 (1) ◽  
pp. 48-49
Author(s):  
Martín A. Iglesias Arteaga ◽  
Carlos S. Pérez Martinez ◽  
Roxana Pérez Gil ◽  
Francisco Coll Manchado
Keyword(s):  
1H Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
1H Nmr Spectra ◽  
H Nmr ◽  
C 23 ◽  
Main Effects ◽  
Nmr Signals

The assignment of 13C and 1H NMR signals of synthetic (25 R)-5α-spirostanes is presented; the main effects on chemical shifts due to substitution at C-23 are briefly discussed.

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