scholarly journals Developments on Synthesis and Applications of Sulfobetaine Derivatives: A Brief Review

2021 ◽  
Vol 21 (5) ◽  
pp. 1298
Author(s):  
Eva Oktavia Ningrum ◽  
Eva Lestiana Pratiwi ◽  
Isyarah Labbaika Shaffitri ◽  
Suprapto Suprapto ◽  
Mentari Rachmatika Mukti ◽  
...  
Keyword(s):  
Biomedical Applications ◽  
Membrane Separation ◽  
Dipole Interaction ◽  
Water Molecules ◽  
Zwitterionic Polymers ◽  
Marine Coatings ◽  
Smart Hydrogel ◽  
Hydration Shells ◽  
Charged Group ◽  
Positively Charged

Zwitterionic polymers are material families characterized by high dipole moment and highly charged groups. Zwitterionic materials simultaneously possess an equimolar number of cationic and anionic moieties, maintaining overall electroneutrality and high hydrophilicity. Zwitterionic is categorized into three groups: phosphobetaine, carboxybetaine, and sulfobetaine that could form dense and stable hydration shells through the strong ion-dipole interaction among water molecules and zwitterions. As a result of their remarkable hydration capability, low interfacial energy, and marvelous antifouling capacities, these materials have been applied as adsorbing agents, biomedical applications, electronics, hydrogels, and antifouling for membrane separation and marine coatings. This review is focused on polysulfobetaine, which contains sulfonate as a negatively charged group, and quaternary ammonium as a positively charged group. Polysulfobetaine is the most promising one to be applied in the industry since it is commercially available and its monomers are easily prepared. The comparisons of several polysulfobetaine derivatives as antimicrobial, antifouling, surfactant and detergents, biomedical and electronic application, surface modification, and smart hydrogel are presented in this review.

Effect of Polyphosphate on Removal of Endocrine-Disrupting Chemicals of Nonylphenol and Bisphenol-A by Activated Carbons

2005 ◽  
Vol 40 (4) ◽  
pp. 484-490 ◽  
Author(s):  
Keun J. Choi ◽  
Sang G. Kim ◽  
Chang W. Kim ◽  
Seung H. Kim
Keyword(s):  
Activated Carbon ◽  
Bisphenol A ◽  
Surface Charge ◽  
Activated Carbons ◽  
Endocrine Disrupting Chemicals ◽  
Dipole Interaction ◽  
High Affinity ◽  
Calcium Polyphosphate ◽  
Endocrine Disrupting ◽  
Positively Charged

Abstract This study examined the effect of polyphosphate on removal of endocrine-disrupting chemicals (EDCs) such as nonylphenol and bisphenol-A by activated carbons. It was found that polyphosphate aided in the removal of nonylphenol and bisphenol- A. Polyphosphate reacted with nonylphenol, likely through dipole-dipole interaction, which then improved the nonylphenol removal. Calcium interfered with this reaction by causing competition. It was found that polyphosphate could accumulate on carbon while treating a river. The accumulated polyphosphate then aided nonylphenol removal. The extent of accumulation was dependent on the type of carbon. The accumulation occurred more extensively with the wood-based used carbon than with the coal-based used carbon due to the surface charge of the carbon. The negatively charged wood-based carbon attracted the positively charged calcium-polyphosphate complex more strongly than the uncharged coal-based carbon. The polyphosphate-coated activated carbon was also effective in nonylphenol removal. The effect was different depending on the type of carbon. Polyphosphate readily attached onto the wood-based carbon due to its high affinity for polyphosphate. The attached polyphosphate then improved the nonylphenol removal. However, the coating failed to attach polyphosphate onto the coal-based carbon. The nonylphenol removal performance of the coal-based carbon remained unchanged after the polyphosphate coating.

scholarly journals Hyaluronan orders water molecules in its nanoscale extended hydration shells

2021 ◽  
Vol 7 (10) ◽  
pp. eabf2558
Author(s):  
J. Dedic ◽  
H. I. Okur ◽  
S. Roke
Keyword(s):  
Second Harmonic ◽  
Hydration Shell ◽  
Water Molecules ◽  
Temperature Dependent ◽  
Flexible Chain ◽  
Optical Modeling ◽  
Hydration Shells ◽  
Second Harmonic Scattering ◽  
Nuclear Quantum Effects ◽  
Extracellular Environment

Hyaluronan (HA) is an anionic, highly hydrated bio-polyelectrolyte found in the extracellular environment, like the synovial fluid between joints. We explore the extended hydration shell structure of HA in water using femtosecond elastic second-harmonic scattering (fs-ESHS). HA enhances orientational water-water correlations. Angle-resolved fs-ESHS measurements and nonlinear optical modeling show that HA behaves like a flexible chain surrounded by extended shells of orientationally correlated water. We describe several ways to determine the concentration-dependent size and shape of a polyelectrolyte in water, using the amount of water oriented by the polyelectrolyte charges as a contrast agent. The spatial extent of the hydration shell is determined via temperature-dependent measurements and can reach up to 475 nm, corresponding to a length of 1600 water molecules. A strong isotope effect, stemming from nuclear quantum effects, is observed when light water (H2O) is replaced by heavy water (D2O), amounting to a factor of 4.3 in the scattered SH intensity.

scholarly journals Origin and control of ionic hydration patterns in nanopores

2021 ◽  
Vol 2 (1) ◽  
Author(s):  
Miraslau L. Barabash ◽  
William A. T. Gibby ◽  
Carlo Guardiani ◽  
Alex Smolyanitsky ◽  
Dmitry G. Luchinsky ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Distribution Functions ◽  
Water Molecules ◽  
Surrounding Water ◽  
Ionic Hydration ◽  
Hydration Shells ◽  
Water Layers ◽  
Dynamics Simulations ◽  
And Control

AbstractIn order to permeate a nanopore, an ion must overcome a dehydration energy barrier caused by the redistribution of surrounding water molecules. The redistribution is inhomogeneous, anisotropic and strongly position-dependent, resulting in complex patterns that are routinely observed in molecular dynamics simulations. Here, we study the physical origin of these patterns and of how they can be predicted and controlled. We introduce an analytic model able to predict the patterns in a graphene nanopore in terms of experimentally accessible radial distribution functions, giving results that agree well with molecular dynamics simulations. The patterns are attributable to a complex interplay of ionic hydration shells with water layers adjacent to the graphene membrane and with the hydration cloud of the nanopore rim atoms, and we discuss ways of controlling them. Our findings pave the way to designing required transport properties into nanoionic devices by optimising the structure of the hydration patterns.

WAP(version 2.0): an updated computing and visualization server for water molecules

2008 ◽  
Vol 41 (5) ◽  
pp. 952-954 ◽  
Author(s):  
S. Praveen ◽  
J. Ramesh ◽  
P. Sivasankari ◽  
G. Sowmiya ◽  
K. Sekar
Keyword(s):  
Three Dimensional ◽  
Protein Molecule ◽  
Data Bank ◽  
Internet Technology ◽  
Water Molecules ◽  
Molecular Graphics ◽  
Hydration Shells ◽  
Macromolecular Protein ◽  
Version 2.0 ◽  
Nucleic Acid Structures

By exploiting the fast-growing Internet technology, the interactive computing serverWater Analysis Package(WAP, version 2.0) has been updated with more flexible options to better understand the role of the water O atoms present in three-dimensional macromolecular (protein or nucleic acid) structures. The updated robust server facilitates the computation and visualization of water molecules from various hydration shells, interfacial water molecules and those water molecules that stabilize various secondary structural elements. It is also possible to detect the interactions of water molecules with various parts (polar atoms, nonpolar atoms, main-chain and side-chain atoms) of the protein molecule. Furthermore, a molecular graphics visualization program is interfaced to display the nature of the interactions of the water molecules. The Protein Data Bank archive interfaced with the server is updated every week; hence users get to analyse the latest structures. The computing server can be obtained from http://dicsoft2.physics.iisc.ernet.in/wap/.

A hexaniobate expanded by six [Hg(cyclam)]2+ complexes via Hg–O bonds yields a positively charged polyoxoniobate cluster

2020 ◽  
Vol 75 (1-2) ◽  
pp. 233-237 ◽  
Author(s):  
Philipp Müscher-Polzin ◽  
Christian Näther ◽  
Wolfgang Bensch
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Room Temperature ◽  
Bond Formation ◽  
Water Molecules ◽  
The Novel ◽  
Temperature Reaction ◽  
Crystal Water ◽  
Nitrate Anions ◽  
Positively Charged

AbstractThe room temperature reaction of Hg(NO3)2 · H2O, cyclam (cyclam = 1,4,8,11-tetraazacyclotetradecane) and K8{Nb6O19} · 16 H2O in a mixture of H2O and DMSO led to crystallization of the novel compound {[Hg(cyclam)]6Nb6O19}(NO3)4 · 14 H2O, which is the first mercury containing polyoxoniobate. The structure consists of a {Nb6O19}8− cluster core which is expanded by six [Hg(cyclam)]2+ complexes via Hg–μ2-O–Nb bond formation. The title compound contains a positively charged polyoxoniobate cluster. The crystal water molecules form small aggregates by O–H · · · O hydrogen bonding which are joined into larger aggregates by N–O · · · H–O hydrogen bonding integrating the nitrate anions.

scholarly journals Structural requirements for the utilization of ascorbate analogues in the prolyl 4-hydroxylase reaction

1994 ◽  
Vol 300 (1) ◽  
pp. 75-79 ◽  
Author(s):  
G Tschank ◽  
J Sanders ◽  
K H Baringhaus ◽  
F Dallacker ◽  
K I Kivirikko ◽  
...  
Keyword(s):  
Negative Charge ◽  
Substrate Inhibition ◽  
Side Chain ◽  
Structural Requirements ◽  
Response Behaviour ◽  
Structural Analogues ◽  
Microsomal Hydroxylation ◽  
Ring Position ◽  
Charged Group ◽  
Positively Charged

The ability of structural analogues of ascorbate to serve as substitutes for this reducing agent in the prolyl 4-hydroxylase reaction was studied. In experiments using the purified enzyme, variations of the compounds′ side chain were compatible with co-substrate activity. The presence of very large hydrophobic substituents or a positively charged group caused an increase in the observed Km values. A negative charge and smaller modifications did not change the affinity to the enzyme when compared with L-ascorbate. 6-Bromo-6-deoxy-L-ascorbate had a lower Km than the physiological reductant. Substitution at the -OH group in ring position 3 prevented binding to the enzyme. The same pattern of activity was observed when the full and uncoupled prolyl 4-hydroxylase reactions were studied. The Vmax. values with all compounds were similar. The reaction of microsomal prolyl 4-hydroxylase was supported by D-isoascorbate, O6-tosyl-L-ascorbate and 5-deoxy-L-ascorbate, giving the same dose-response behaviour as L-ascorbate itself. Again, 6-bromo-6-deoxy-L-ascorbate gave a lower Km and a similar Vmax. value. L-Ascorbic acid 6-carboxylate produced substrate inhibition at concentrations above 0.3 mM. The Km and Vmax. values calculated from concentrations up to 0.2 mM were similar to those of L-ascorbate. The enzyme activity observed with 6-amino-6-deoxy-L-ascorbate was very low in the microsomal hydroxylation system. The calculated Vmax. value was lower than that of L-ascorbate, suggesting a restriction of the access of this compound to the enzyme.

Smart hydrogel with shape memory for biomedical applications

2014 ◽  
Vol 45 (6) ◽  
pp. 3134-3138 ◽  
Author(s):  
M. Hasnat Kabir ◽  
Takahiro Hazama ◽  
Yosuke Watanabe ◽  
Jin Gong ◽  
Kyoko Murase ◽  
...  
Keyword(s):  
Shape Memory ◽  
Biomedical Applications ◽  
Smart Hydrogel

Pentafluoro[(4-methyl-1,4-bisazoniacy clohex-1 -yl)methy 1] germanate Hydrate: Synthesis and Crystal Structure of a Zwitterionic λ6Ge-Germanate with a GeF5C Framework

1998 ◽  
Vol 53 (5-6) ◽  
pp. 535-539 ◽  
Author(s):  
Reinhold Tacke ◽  
Joachim Heermann ◽  
Melanie Pülm
Keyword(s):  
Molar Ratio ◽  
Water Molecules ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Coordination Polyhedra ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Distorted Octahedra ◽  
Positively Charged

Abstract The zwitterionic (molecular) λ6Ge-germanate pentafluoro[(4-methyl-1,4-bisazoniacyclohexl-yl)methyl]germanate (5) was synthesized by reaction of 1-methyl-4-[(trimethoxygermyl) methyl]piperazine (8) with HF (molar ratio 1:5) in a mixture of water and ethanol at 0 °C and isolated as the hydrate 5 · H2O. The zwitterion 5 is characterized by the presence of a hexacoordinate (formally twofold negatively charged) germanium atom and two tetracoordinate (formally positively charged) nitrogen atoms. Compound 5 · H2O was structurally characterized by single-crystal X-ray diffraction. Crystal data are as follows: C6H17F5GeN2O , triclinic space group P1̄ (no. 2), a = 7.5228(11) Å, b = 12.174(2) Å, c = 12.3041(14) Å, α = 73.74(2)°, β = 82.44(2)°, γ = 74.762(10)°, V = 1041.7(2) Å3, T = 173(2) K, Z = 4, R1 = 0.0227. There are one pair each of crystallographically independent zwitterions 5 and water molecules in the asymmetric unit, the structures of the zwitterions being very similar. Their coordination polyhedra around the germanium atoms are slightly distorted octahedra.

scholarly journals A second solvatomorph of poly[[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Maksym O. Plutenko ◽  
Matti Haukka ◽  
Alina O. Husak ◽  
Irina A. Golenya ◽  
Nurullo U. Mulloev
Keyword(s):  
Title Compound ◽  
Geometry Optimization ◽  
Water Molecules ◽  
Acta Cryst ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Semi Empirical ◽  
Complex Anions ◽  
Positively Charged ◽  
Polymeric Framework

The title compound, poly[triaquabis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]dinickel(II)tetrapotassium], [K4Ni2(C7H6N4O7)2(H2O)3] n , is a second solvatomorph of poly[(μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)nickel(II)dipotassium] reported previously [Plutenko et al. (2021). Acta Cryst. E77, 298–304]. The asymmetric unit of the title compound includes two structurally independent complex anions [Ni(C7H6N4O7)]2−, which exhibit an L-shaped geometry and consist of two almost flat fragments perpendicular to one another: the 1,3,5-oxadiazinane fragment and the fragment including other atoms of the anion. The central Ni atom is in a square-planar N2O2 coordination arrangement formed by two amide N and two carboxylate O atoms. In the crystal, the title compound forms a layered structure in which layers of negatively charged complex anions and positively charged potassium cations are stacked along the a-axis direction. The polymeric framework is stabilized by a system of hydrogen-bonding interactions in which the water molecules act as donors and the carboxylic, amide and water O atoms act as acceptors.

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