Proton exchange with internal water molecules in the protein BPTI in aqueous solution

1991 ◽  
Vol 113 (11) ◽  
pp. 4363-4364 ◽  
Author(s):  
Gottfried Otting ◽  
Edvards Liepinsh ◽  
Kurt Wuethrich
Keyword(s):  
Aqueous Solution ◽  
Proton Exchange ◽  
Water Molecules ◽  
Internal Water

Structural Study of a new Compound Based on Acid 1,4-Cyclohexanedicarboxylic (1,4-CDC)

2010 ◽  
Vol 6 (1) ◽  
pp. 891-896
Author(s):  
Manel Halouani ◽  
M. Dammak ◽  
N. Audebrand ◽  
L. Ktari
Keyword(s):  
Aqueous Solution ◽  
Water Molecules ◽  
Carboxyl Group ◽  
X Ray Diffraction ◽  
Compound I ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Cyclohexanedicarboxylic Acid

One nickel 1,4-cyclohexanedicarboxylate coordination polymers, Ni2 [(O10C6H4)(COO)2].2H2O  (I), was hydrothermally synthesized from an aqueous solution of Ni (NO3)2.6H2O, (1,4-CDC) (1,4-CDC = 1,4-cyclohexanedicarboxylic acid) and tetramethylammonium nitrate. Compound (I) crystallizes in the monoclinic system with the C2/m space group. The unit cell parameters are a = 20.1160 (16) Å, b = 9.9387 (10) Å, c = 6.3672 (6) Å, β = 97.007 (3) (°), V= 1263.5 (2) (Å3) and Dx= 1.751g/cm3. The refinement converged into R= 0.036 and RW = 0.092. The structure, determined by single crystal X-ray diffraction, consists of two nickel atoms Ni (1) and Ni (2). Lots of ways of which is surrounded by six oxygen atoms, a carboxyl group and two water molecules.

scholarly journals Effects of Sensory Rhodopsin II Complexation with its Cognate Transducer HtrII on the Local Environment of Internal Water Molecules

2010 ◽  
Vol 98 (3) ◽  
pp. 287a
Author(s):  
Mikkel Jensen ◽  
Erica C. Saint Clair ◽  
Alan Gabel ◽  
Vladislav B. Bergo ◽  
Elena N. Spudich ◽  
...  
Keyword(s):  
Local Environment ◽  
Water Molecules ◽  
Sensory Rhodopsin ◽  
Internal Water

scholarly journals Dynamics of the Internal Water Molecules in Squid Rhodopsin

2009 ◽  
Vol 96 (3) ◽  
pp. 680a
Author(s):  
Eduardo Jardón-Valadez ◽  
Ana-Nicoleta Bondar ◽  
Douglas J. Tobias
Keyword(s):  
Water Molecules ◽  
Internal Water

scholarly journals Crystal structure of the new hybrid material bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate

2015 ◽  
Vol 71 (11) ◽  
pp. 1384-1387
Author(s):  
Marwen Chouri ◽  
Habib Boughzala
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Molar Ratio ◽  
Water Molecules ◽  
Site Symmetry ◽  
Two Dimensional ◽  
Slow Evaporation ◽  
Solution Ph

The title compound bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate, (C6H14N2)2[Bi2Cl10]·2H2O, was obtained by slow evaporation at room temperature of a hydrochloric aqueous solution (pH = 1) containing bismuth(III) nitrate and 1,4-diazabicyclo[2.2.2]octane (DABCO) in a 1:2 molar ratio. The structure displays a two-dimensional arrangement parallel to (100) of isolated [Bi2Cl10]4−bioctahedra (site symmetry -1) separated by layers of organic 1,4-diazoniabicyclo[2.2.2]octane dications [(DABCOH2)2+] and water molecules. O—H...Cl, N—H...O and N—H...Cl hydrogen bonds lead to additional cohesion of the structure.

scholarly journals Removal of Chromium from Aqueous Solution Using Modified Pomegranate Peel:Mechanistic and Thermodynamic Studies

2009 ◽  
Vol 6 (s1) ◽  
pp. S153-S158 ◽  
Author(s):  
Tariq S. Najim ◽  
Suhad A. Yassin
Keyword(s):  
Activation Energy ◽  
Solid Solution ◽  
Aqueous Solution ◽  
Adsorption Process ◽  
Batch Process ◽  
The Other ◽  
Water Molecules ◽  
Pomegranate Peel ◽  
Solution Interface ◽  
Adsorbent Surface

Modified pomegranate peel (MPGP) and formaldehyde modified pomegranate peel (FMPGP) were prepared and used as adsorbent for removal of Cr(VI) ions from aqueous solution using batch process. The temperature variation study of adsorption on both adsorbents revealed that the adsorption process is endothermic, from the positive values of ∆H˚. These values lie in the range of physisorption. The negative values of ∆G˚ show the adsorption is favorable and spontaneous. On the other hand, these negative values increases with increase in temperature on both adsorbents, which indicate that the adsorption is preferable at higher temperatures. ∆S˚ values showed that the process is accompanied by increase in disorder and randomness at the solid solution interface due to the reorientation of water molecules and Cr(VI) ions around the adsorbent surface. The endothermic nature of the adsorption was also confirmed from the positive values of activation energy, Ea, the low values of Ea confirm the physisorption mechanism of adsorption. The sticking probability, S*, of Cr(VI) ion on surface of both adsorbents showed that the adsorption is preferable due to low values of S*(0< S*< 1 ), but S*values are lower for FMPGP indicating that the adsorption on FMPGP is more preferable .

Enhanced adsorption removal of methyl orange from aqueous solution by nanostructured proton-containing δ-MnO2

2015 ◽  
Vol 3 (10) ◽  
pp. 5674-5682 ◽  
Author(s):  
Yan Liu ◽  
Chao Luo ◽  
Jian Sun ◽  
Haizhen Li ◽  
Zebin Sun ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Methyl Orange ◽  
Solid State ◽  
Solid State Reaction ◽  
Proton Exchange ◽  
Precipitation Method ◽  
Homogeneous Precipitation ◽  
Adsorption Removal ◽  
Homogeneous Precipitation Method ◽  
Enhanced Adsorption

Two nanostructured proton-containing δ-MnO2 (H-δ-MnO2) materials were synthesized through proton exchange for K-containing δ-MnO2 (K-δ-MnO2) nanosheets and nanoparticles prepared by the hydrothermal homogeneous precipitation method and solid-state reaction.

scholarly journals Structure and hydrogen bonding of the hydrated selenite and selenate ions in aqueous solution

2014 ◽  
Vol 43 (17) ◽  
pp. 6315-6321 ◽  
Author(s):  
Lars Eklund ◽  
Ingmar Persson
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonding ◽  
Free Electron ◽  
Electron Pair ◽  
Bound Water ◽  
Water Molecules ◽  
Hydration Sphere ◽  
Free Electron Pair

The selenite ion has an asymmetric hydration sphere with loosely electrostatically bound water molecules outside the free electron pair.

scholarly journals Dynamics of Water Molecules in Concentrated Aqueous Solution of D-Glucose

2013 ◽  
Vol 25 (14) ◽  
pp. 8225-8226 ◽  
Author(s):  
Yong-Qiang Chen ◽  
Xiao-Ming Yang
Keyword(s):  
Aqueous Solution ◽  
Water Molecules

scholarly journals Supramolecular Complexes of Cucurbiturils with Second Group Metal Salts and Hydrates and Histamine

INEOS OPEN ◽  
2021 ◽  
Vol 4 ◽  
Author(s):  
Yu. A. Borisov ◽  
◽  
S. S. Kiselev ◽  
Keyword(s):  
Aqueous Solution ◽  
Density Functional Theory ◽  
Density Functional ◽  
Metal Salts ◽  
Supramolecular Complexes ◽  
Water Molecules ◽  
Functional Theory ◽  
Guest Molecules ◽  
First Time ◽  
Formation Energies

The interaction of cucurbiturils (Q6, Q7, and Q8) with Ca and Ba chlorides and iodides are studied for the first time by density functional theory. The thermodynamic parameters for the formation of host–guest complexes are calculated. The structures of complexes of Q6 and Q7 with one and two guest molecules are established. The energy parameters for the transfer of Be2+ and Ba2+ cations from an aqueous solution into the cavity of Q7 containing n water molecules are defined. The dependences of the formation energies for complexes Q7WnBe2+ and Q7WnBa2+ on the number of water molecules are shown to be parabolic, with the energy minima at n = 5 and n = 6, respectively. It is found that Q7 can form in an aqueous solution supramolecular complexes with protonated histamine (HA) and neutral histamine in the presence of Ca2+ ions.

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