Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate

CrystEngComm ◽  
2021 ◽  
Author(s):  
Ryuhei Okura ◽  
Hiromasa Uchiyama ◽  
Kazunori Kadota ◽  
Yuichi Tozuka
Keyword(s):  
Hydrogen Bonding ◽  
Relative Humidity ◽  
Structural Transition ◽  
Crystalline Water ◽  
Hydration And Dehydration

The structural transition behaviors of the hydration and dehydration of mequitazine glycolate (MQZ-GLC) after exposure to heat and relative humidity have yet not been clarified, although our previous study demonstrated...

scholarly journals Water Adsorption to Leaves of Tall Cryptomeria japonica Tree Analyzed by Infrared Spectroscopy under Relative Humidity Control

Plants ◽  
2020 ◽  
Vol 9 (9) ◽  
pp. 1107
Author(s):  
Wakana A. Azuma ◽  
Satoru Nakashima ◽  
Eri Yamakita ◽  
Tamihisa Ohta
Keyword(s):  
Hydrogen Bonding ◽  
Relative Humidity ◽  
Cryptomeria Japonica ◽  
Water Adsorption ◽  
Bound Water ◽  
Free Water ◽  
High Water ◽  
Water Molecules ◽  
Cross Sectional ◽  
Tissue Properties

Leaf water storage is a complex interaction between live tissue properties (anatomy and physiology) and physicochemical properties of biomolecules and water. How leaves adsorb water molecules based on interactions between biomolecules and water, including hydrogen bonding, challenges our understanding of hydraulic acclimation in tall trees where leaves are exposed to more water stress. Here, we used infrared (IR) microspectroscopy with changing relative humidity (RH) on leaves of tall Cryptomeria japonica trees. OH band areas correlating with water content were larger for treetop (52 m) than for lower-crown (19 m) leaves, regardless of relative humidity (RH). This high water adsorption in treetop leaves was not explained by polysaccharides such as Ca-bridged pectin, but could be attributed to the greater cross-sectional area of the transfusion tissue. In both treetop and lower-crown leaves, the band areas of long (free water: around 3550 cm−1) and short (bound water: around 3200 cm−1) hydrogen bonding OH components showed similar increases with increasing RH, while the band area of free water was larger at the treetop leaves regardless of RH. Free water molecules with longer H bonds were considered to be adsorbed loosely to hydrophobic CH surfaces of polysaccharides in the leaf-cross sections.

scholarly journals Ion Selectivity of Water Molecules in Subnanoporous Liquid‐Crystalline Water‐Treatment Membranes: A Structural Study of Hydrogen Bonding

2020 ◽  
Vol 59 (52) ◽  
pp. 23461-23465 ◽  
Author(s):  
Ryusuke Watanabe ◽  
Takeshi Sakamoto ◽  
Kosuke Yamazoe ◽  
Jun Miyawaki ◽  
Takashi Kato ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Water Treatment ◽  
Structural Study ◽  
Liquid Crystalline ◽  
Ion Selectivity ◽  
Water Molecules ◽  
Crystalline Water

Self-assembled structural transition inl-Arg/H-AOT mixtures driven by double hydrogen bonding

RSC Advances ◽  
2016 ◽  
Vol 6 (53) ◽  
pp. 47919-47925
Author(s):  
Xiaoyang Li ◽  
Yuanyuan Hu ◽  
Wenlong Xu ◽  
Guihua Li ◽  
Aixin Song ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Synergistic Effect ◽  
Electrostatic Interaction ◽  
Structural Transition ◽  
Hydrophobic Effect ◽  
The Self ◽  
Self Assembled ◽  
Double Hydrogen

The addition of H-AOT tol-Arg solution leads to the transition of the self-assembled structures, which is driven by the synergistic effect of the double hydrogen bonding, electrostatic interaction and hydrophobic effect.

Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4·7H2O)

2005 ◽  
Vol 69 (3) ◽  
pp. 259-271 ◽  
Author(s):  
J. L. Anderson ◽  
R. C. Peterson ◽  
I. P. Swainson
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Atomic Structure ◽  
Data Sets ◽  
Crystal Data ◽  
Single Crystal Diffraction ◽  
Future Studies ◽  
X Ray ◽  
Hydration And Dehydration ◽  
Phase Relationships

AbstractThe atomic structure of synthetic, deuterated goslarite (ZnSO4·7D2O), a = 11.8176(6) Å, b = 12.0755(7) Å, c = 6.8270(4)Å, space group P212121, Z = 4, has been refined in a combined neutron powder diffraction and X-ray single-crystal data refinement to wRp 1.92%, Rp 1.45% and R(F2) 12.66% for the neutron powder data contribution and R(F2) 8.72% for the X-ray single-crystal data contribution. Both data sets were necessary to achieve the best overall fit agreement in the Rietveld refinement and reasonable geometry within structural units. The results of this study confirm that the H-bonding scheme for goslarite is the same as that of the other epsomite group minerals. Small but significant variations of the Zn–O bond lengths can be attributed to details of the H bonds to the O atoms of the Zn octahedra. This investigation of the atomic structure and hydrogen bonding of goslarite is groundwork for future studies into phase relationships and the mechanisms of hydration and dehydration in the ZnSO4–H2O system.

scholarly journals Effect of Suction Cycles and Suction Gradients on the Water Retention Properties of a Hard Clay

2015 ◽  
Vol 2015 ◽  
pp. 1-6
Author(s):  
Liufeng Chen ◽  
Hua Peng
Keyword(s):  
Diffusion Coefficient ◽  
Relative Humidity ◽  
Water Retention ◽  
Moisture Diffusion ◽  
Two Dimensional ◽  
Moisture Diffusion Coefficient ◽  
Dimensional Diffusion ◽  
Water Retention Properties ◽  
Cylindrical Samples ◽  
Hydration And Dehydration

The effect of suction cycles and suction gradients on a hard clay is investigated. The cylindrical samples of the hard clay are prepared to carry out the hydration and dehydration tests with different suction gradient and suction cycles. The results show that the suction gradient has little effect on the suction-water content relation, while the suction cycle has great effect on it, particularly the first cycle of hydration and dehydration. The apparent moisture diffusion coefficient of the hard clay has been identified by the use of a two-dimensional diffusion model. The moisture diffusion coefficient varies between 4.10−11 m2/s and 2.10−10 m2/s and it decreases during dehydration while the relative humidity is less than 85%. The results also show that the suction cycles play little effect on the moisture diffusion coefficient.

Natural and monoionic aliettite: hydration and dehydration states

Clay Minerals ◽  
1987 ◽  
Vol 22 (2) ◽  
pp. 187-197 ◽  
Author(s):  
M. F. Brigatti ◽  
L. Poppi
Keyword(s):  
Experimental Data ◽  
Thermal Analysis ◽  
Relative Humidity ◽  
Structural Model ◽  
X Ray ◽  
Closest Packing ◽  
Endothermic Reactions ◽  
Trioctahedral Smectite ◽  
Hydration And Dehydration ◽  
Regular Alternation

AbstractThe dehydration of an interstratified talc-trioctahedral smectite mineral (aliettite) from Monte Chiaro, Taro Valley, Italy, saturated by Na, K, Rb, Cs, Mg, Ca, Sr, Ba and NH4 cations, was studied by X-ray powder diffraction and thermal analysis, under different conditions of temperature and relative humidity. Both in the natural and exchanged states the mineral exhibited several orders of basal reflections and, to varying relative humidity (p/po) and temperature (T) conditions, behaved like a smectite except that: (i) the c-dimension was not very sensitive to relative humidity increase; (ii) the closest packing was for T > 400°C, the collapsed state being reached gradually as T increased and an inverse trend was apparent between 20° and 300°C; (iii) the endothermic reactions at T = 400°C and T = 600°C appeared to be affected by the exchange treatment. The experimental data are consistent with a structural model in which it is possible to distinguish layers containing a patchwork of talc and smectite domains: the patchworks are superposed to make a regular alternation of the two domains.

scholarly journals In situ monitoring of hydration and dehydration in pharmaceutical solids

2014 ◽  
Vol 70 (a1) ◽  
pp. C906-C906
Author(s):  
Andrew Bond ◽  
Dhara Raijada ◽  
Jukka Rantanen ◽  
Ioana Sovago ◽  
Jacco van de Streek ◽  
...  
Keyword(s):  
Solid State ◽  
Relative Humidity ◽  
Density Functional ◽  
In Situ Monitoring ◽  
X Ray Diffraction ◽  
Pharmaceutical Solids ◽  
X Ray ◽  
Dehydration Processes ◽  
Static Conditions ◽  
Hydration And Dehydration

This talk will describe a multi-technique study of hydration and dehydration in pharmaceutical solids, using sodium naproxen as a case study. The aim of the work is to establish molecular-level structural understanding of the chemical changes that take place in the solid state as a function of temperature and relative humidity. Dynamic vapour sorption (DVS) analysis on the anhydrous compound carried out as a function of temperature provides a preliminary overview of the solid-form landscape and identifies static conditions to obtain four different hydrate forms [1]. Differences in the sorption and desorption cycles indicates the existence of a polymorphic dihydrate, and the two polymorphs show significant differences in their dehydration behaviour. Crystal structures are established for all phases in the system using either single-crystal or powder X-ray diffraction data, supplemented by dispersion-corrected density functional theory (DFT-D) calculations. The hydration and dehydration processes are monitored by powder X-ray diffraction (PXRD), as a function of relative humidity and temperature, and by variable-temperature solid-state 13C and 23Na NMR. Synchrotron PXRD is applied to the two dihydrate polymorphs to monitor the dehydration processes in approximately real time. The kinetic and structural details of dehydration are established by applying parametric Rietveld refinement [2] to the synchrotron data. This approach adds a structural picture to the kinetic processes. The PXRD studies indicate an essentially continuous dehydration pathway from one of the dihydrate polymorphs to the monohydrate, but a stepped dehydration pathway for the other dihydrate polymorph. The different mechanisms are linked to different degrees of structural similarity, and in particular to the existence of topotactic or non-topotactic transformations between the dihydrate polymorphs and the unique monohydrate and anhydrate phases.

Dispersion of calcium clay

Soil Research ◽  
1982 ◽  
Vol 20 (2) ◽  
pp. 153 ◽  
Author(s):  
P Rengasamy
Keyword(s):  
Hydrogen Bonding ◽  
Relative Humidity ◽  
Water Uptake ◽  
Saturated Soil ◽  
Water Molecules ◽  
Exchangeable Calcium ◽  
Soil Clay ◽  
Clay Layers ◽  
Calcium Bentonite

The dispersion of samples of calcium-saturated soil clay, calcium illite, and calcium bentonite was compared with the dispersion of sodium clays. Each clay was first freed of electrolytes, one sample of each being dialysed with water and a second washed with ethanol. All samples were then dried at 105�C. The dialysed calcium clays did not disperse in water even after a week, but dispersed spontaneously when immersed in water immediately after they had been remoulded. The calcium clays that had been washed in ethanol dispersed spontaneously in water to the same extent as dialysed sodium clays. After the samples were equilibrated at a fixed relative humidity, the water uptake in ethanol-washed calcium clays was twice that of corresponding dialysed calcium clays but similar to the dialysed sodium clays. A mechanism of hydrogen bonding in dry calcium clay is proposed which includes exchangeable calcium, water molecules, and the exposed oxygens of the clay layers. The replacement of water molecules in the bond by ethanol weakens the bond and leads to swelling and dispersion of the clay.

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