What Gives an Insulin Hexamer Its Unique Shape and Stability? Role of Ten Confined Water Molecules

2018 ◽  
Vol 122 (5) ◽  
pp. 1631-1637 ◽  
Author(s):  
Saumyak Mukherjee ◽  
Sayantan Mondal ◽  
Ashish Anilrao Deshmukh ◽  
Balasubramanian Gopal ◽  
Biman Bagchi
Keyword(s):  
Water Molecules ◽  
Confined Water ◽  
Unique Shape

scholarly journals Enhanced methane gas storage in the form of hydrates: role of the confined water molecules in silica powders

RSC Advances ◽  
2020 ◽  
Vol 10 (30) ◽  
pp. 17795-17804
Author(s):  
Pinnelli S. R. Prasad ◽  
Burla Sai Kiran ◽  
Kandadai Sowjanya
Keyword(s):  
Methane Hydrate ◽  
Gas Storage ◽  
Water Molecules ◽  
Confined Water ◽  
Methane Gas

Rapid and efficient methane hydrate conversions by utilising the water molecules confined in intra- and inter-granular space of silica powders.

scholarly journals Substrate wettability guided oriented self assembly of Janus particles

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Meneka Banik ◽  
Shaili Sett ◽  
Chirodeep Bakli ◽  
Arup Kumar Raychaudhuri ◽  
Suman Chakraborty ◽  
...  
Keyword(s):  
Self Assembly ◽  
Janus Particles ◽  
Water Molecules ◽  
Functional Coatings ◽  
Hexagonal Close Packed ◽  
Local Densities ◽  
Inhomogeneous Properties ◽  
Metal Polymer ◽  
Specific Orientation

AbstractSelf-assembly of Janus particles with spatial inhomogeneous properties is of fundamental importance in diverse areas of sciences and has been extensively observed as a favorably functionalized fluidic interface or in a dilute solution. Interestingly, the unique and non-trivial role of surface wettability on oriented self-assembly of Janus particles has remained largely unexplored. Here, the exclusive role of substrate wettability in directing the orientation of amphiphilic metal-polymer Bifacial spherical Janus particles, obtained by topo-selective metal deposition on colloidal Polymestyere (PS) particles, is explored by drop casting a dilute dispersion of the Janus colloids. While all particles orient with their polymeric (hydrophobic) and metallic (hydrophilic) sides facing upwards on hydrophilic and hydrophobic substrates respectively, they exhibit random orientation on a neutral substrate. The substrate wettability guided orientation of the Janus particles is captured using molecular dynamic simulation, which highlights that the arrangement of water molecules and their local densities near the substrate guide the specific orientation. Finally, it is shown that by spin coating it becomes possible to create a hexagonal close-packed array of the Janus colloids with specific orientation on differential wettability substrates. The results reported here open up new possibilities of substrate-wettability driven functional coatings of Janus particles, which has hitherto remained unexplored.

A first-principles study of the atomic layer deposition of ZnO on carboxyl functionalized carbon nanotubes: the role of water molecules

2021 ◽  
Vol 23 (5) ◽  
pp. 3467-3478
Author(s):  
J. I. Paez-Ornelas ◽  
H. N. Fernández-Escamilla ◽  
H. A. Borbón-Nuñez ◽  
H. Tiznado ◽  
Noboru Takeuchi ◽  
...  
Keyword(s):  
First Principles ◽  
Ligand Exchange ◽  
Functional Group ◽  
Atomic Layer ◽  
High Reactivity ◽  
Water Molecules ◽  
Exchange Reactions ◽  
Layer Deposition ◽  
The Right

Atomic description of ALD in systems that combine large surface area and high reactivity is key for selecting the right functional group to enhance the ligand-exchange reactions.

scholarly journals The role of the water molecules in novel superconductor, Na0.35CoO2·1.3H2O

2004 ◽  
Vol 412-414 ◽  
pp. 182-186 ◽  
Author(s):  
H. Sakurai ◽  
K. Takada ◽  
F. Izumi ◽  
R.A. Dilanian ◽  
T. Sasaki ◽  
...  
Keyword(s):  
Water Molecules

The dielectric β relaxation of polybenzoxazole: The role of water molecules

1977 ◽  
Vol 15 (6) ◽  
pp. 1121-1126 ◽  
Author(s):  
S. De Petris ◽  
V. Frosini ◽  
E. A. Nicol
Keyword(s):  
Water Molecules ◽  
Β Relaxation

Some Considerations on Confined Water: The Thermal Behavior of Transport Properties in Water-Glycerol and Water-Methanol Mixtures

MRS Advances ◽  
2016 ◽  
Vol 1 (26) ◽  
pp. 1891-1902 ◽  
Author(s):  
Francesco Mallamace ◽  
Carmelo Corsaro ◽  
Domenico Mallamace ◽  
Cirino Vasi ◽  
Sebastiano Vasi ◽  
...  
Keyword(s):  
Hydrophobic Interactions ◽  
Molar Fraction ◽  
Relaxation Times ◽  
Confined Water ◽  
Self Diffusion ◽  
Excess Value ◽  
Water Glycerol ◽  
System Properties ◽  
Dynamical Crossover

ABSTRACTWe discuss recent literature data on the relaxation times (the primary tα), viscosity, and self-diffusion in water-glycerol and water-methanol mixtures across a wide temperature range from the stable water phase to the deep supercooled regime (373–147K). In particular, to clarify the role of hydrophilicity interactions (the hydrogen bonds) and hydrophobic interactions we study the mixture in terms of the water molar fraction (XW) with fixed temperatures at 5K steps across the entire composition range, and we find a marked deviation from the ideal thermodynamic behavior of the transport functions. This deviation is strongly T and XW dependent and spans values that range from two orders of magnitude at the highest temperature to more than five in the deeply supercooled regime (more precisely, at ≃200K). We analyze these deviations in terms of how the measured values differ from ideal values and find that the hydrogen-bonding water network dominates system properties up to XW = 0.3. We also examine an Arrhenius plot of the maximum excess value (Δtα(T) vs. 1/T) and find two significant changes due to water: one at the dynamical crossover temperature (TL ≃ 225K, i.e., the locus of the Widom line), and one at T ≃ 315K (the water isothermal compressibility χT minimum).

scholarly journals Hydration Dependent Band Gap Tunability of Self-Assembled Phenylalanine-Tryptophan Nanotubes

2020 ◽  
Author(s):  
Hugo Souza ◽  
Antonio Chaves Neto ◽  
Francisco Sousa ◽  
Rodrigo Amorim ◽  
Alexandre Reily Rocha ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Band Gap ◽  
Electronic Properties ◽  
Building Block ◽  
Density Functional ◽  
Tight Binding ◽  
Water Molecules ◽  
Confined Water ◽  
Functional Theory ◽  
Tight Binding Method

In this work, we investigate the effects of building block separation of Phenylalanine-Tryptophan nanotube induced by the confined water molecules on the electronic properties using density-functional theory based tight-binding method. <div><br></div>

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