Distinct Binding Mechanisms for Allosteric Sodium Ion in Cannabinoid Receptors

Due to their low cost and improved safety compared to lithium-ion batteries, sodium-ion batteries have attracted worldwide attention in recent decades.

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Expression des Cannabinoid-Receptors Typ 1 durch humane Adipocyten

Aktuelle Ernährungsmedizin ◽

10.1055/s-2004-834983 ◽

2004 ◽

Vol 29 (05) ◽

Author(s):

S Engeli ◽

M Feldpausch ◽

K Gorzelniak ◽

J Janke ◽

FC Luft ◽

...

Keyword(s):

Cannabinoid Receptors

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Under Pressure: Mechanochemical Effects on Structure and Ion Conduction in the Sodium-Ion Solid Electrolyte Na3PS4

10.26434/chemrxiv.12477776.v1 ◽

2020 ◽

Author(s):

Theodosios Famprikis ◽

O. Ulas Kudu ◽

James Dawson ◽

Pieremanuele Canepa ◽

François Fauth ◽

...

Keyword(s):

Ionic Conductivity ◽

Mechanochemical Synthesis ◽

Activation Volume ◽

External Pressure ◽

Sodium Ion ◽

Variable Pressure ◽

Ion Conductor ◽

Ceramic Synthesis ◽

Solid State Batteries ◽

Fast Ion

<div> Fast-ion conductors are critical to the development of solid-state batteries. The effects of mechanochemical synthesis that lead to increased ionic conductivity in an archetypical sodium-ion conductor Na3PS4 are not fully understood. We present here a comprehensive analysis based on diffraction (Bragg, pair distribution function), spectroscopy (impedance, Raman, NMR, INS) and ab-initio simulations aimed at elucidating the synthesis-property relationships in Na3PS4. We consolidate previously reported interpretations about the local structure of ball-milled samples, underlining the sodium disorder and showing that a local tetragonal framework more accurately describes the structure than the originally proposed cubic one. Through variable-pressure impedance spectroscopy measurements, we report for the first time the activation volume for Na+ migration in Na3PS4, which is ~30% higher for the ball-milled samples. Moreover, we show that the effect of ball-milling on increasing the ionic conductivity of Na3PS4 to ~10-4 S/cm can be reproduced by applying external pressure on a sample from conventional high temperature ceramic synthesis. We conclude that the key effects of mechanochemical synthesis on the properties of solid electrolytes can be analyzed and understood in terms of pressure, strain and activation volume. </div>

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Exploring the Influence of Substitution on the Structure and Transport Properties in the Sodium Superionic Conductor Na11+xSn2+x(Sb1−yPy)1−xS12

10.26434/chemrxiv.12278237.v1 ◽

2020 ◽

Author(s):

Marvin Kraft ◽

Lara Gronych ◽

Theodosios Famprikis ◽

Saneyuki Ohno ◽

Wolfgang Zeier

Keyword(s):

Electrochemical Impedance ◽

Structural Phase ◽

Ionic Transport ◽

Sodium Ion ◽

Ionic Conductors ◽

Temperature Dependent ◽

Activation Barriers ◽

Rietveld Refinements ◽

High Performing ◽

The Given

Sulfidic sodium ion conductors are currently investigated for the possible use in all-solid-state sodium ion batteries. The design of high performing electrolytes in terms of temperature-dependent ionic transport is based upon the fundamental understanding of structure – transport relationships within the given structural phase boundaries inherent to the investigated materials class. In this work, the Na+ superionic structural family of Na11Sn2PS12 is explored by using the systematic antimony substitution with phosphorous in Na11+xSn2+x(Sb1-yPy)1-xS12. A combination of Rietveld refinements against X-ray synchrotron diffraction data with electrochemical impedance spectroscopy is used to monitor the changes in the anionic framework, the Na+ substructure and the ionic transport. A new simplified descriptor for the average Na+ diffusion pathways, the average Na+ polyhedral volume is introduced, which is used to correlate the contraction of the overall lattice and the found activation barriers in the system. This study exemplifies how substitution affects diffusion pathways in ionic conductors and widens the knowledge about the related structural motifs and their influence on the ionic transport in this novel class of ionic conductors.

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QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore-Water Interface

10.26434/chemrxiv.8075204 ◽

2019 ◽

Author(s):

Prasanth Babu Ganta ◽

Oliver Kühn ◽

Ashour Ahmed

Keyword(s):

Interaction Energy ◽

Dynamics Simulation ◽

Water Molecules ◽

Hydroxyl Groups ◽

Water Interface ◽

Mineral Surfaces ◽

Soil Mineral ◽

Phosphorus Adsorption ◽

Covalent Bonds ◽

Binding Mechanisms

The phosphorus (P) immobilization and thus its availability for plants are mainly affected by the strong interaction of phosphates with soil components especially soil mineral surfaces. Related reactions have been studied extensively via sorption experiments especially by carrying out adsorption of ortho-phosphate onto Fe-oxide surfaces. But a molecular-level understanding for the P-binding mechanisms at the mineral-water interface is still lacking, especially for forest eco-systems. Therefore, the current contribution provides an investigation of the molecular binding mechanisms for two abundant phosphates in forest soils, inositol hexaphosphate (IHP) and glycerolphosphate (GP), at the diaspore mineral surface. Here a hybrid electrostatic embedding quantum mechanics/molecular mechanics (QM/MM) based molecular dynamics simulation has been applied to explore the diaspore-IHP/GP-water interactions. The results provide evidence for the formation of different P-diaspore binding motifs involving monodentate (M) and bidentate (B) for GP and two (2M) as well as three (3M) monodentate for IHP. The interaction energy results indicated the abundance of the GP B motif compared to the M one. The IHP 3M motif has a higher total interaction energy compared to its 2M motif, but exhibits a lower interaction energy per bond. Compared to GP, IHP exhibited stronger interaction with the surface as well as with water. Water was found to play an important role in controlling these diaspore-IHP/GP-water interactions. The interfacial water molecules form moderately strong H-bonds (HBs) with GP and IHP as well as with the diaspore surface. For all the diaspore-IHP/GP-water complexes, the interaction of water with diaspore exceeds that with the studied phosphates. Furthermore, some water molecules form covalent bonds with diaspore Al atoms while others dissociate at the surface to protons and hydroxyl groups leading to proton transfer processes. Finally, the current results conﬁrm previous experimental conclusions indicating the importance of the number of phosphate groups, HBs, and proton transfers in controlling the P-binding at soil mineral surfaces.

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Defect-Mediated Conductivity Enhancements in Na3-xPn1-xWxS4 (Pn = P, Sb) using Aliovalent Substitutions

10.26434/chemrxiv.9943961.v2 ◽

2019 ◽

Author(s):

Till Fuchs ◽

Sean Culver ◽

Paul Till ◽

Wolfgang Zeier

Keyword(s):

Ionic Conductivity ◽

Vacancy Concentration ◽

Sodium Ion ◽

High Ionic Conductivity ◽

Ionic Conductors ◽

X Ray Diffraction ◽

X Ray ◽

Solid State Batteries ◽

Ion Conducting ◽

Very High

The sodium-ion conducting family of Na3PnS4, with Pn = P, Sb, have gained interest for the use in solid-state batteries due to their high ionic conductivity. However, significant improvements to the conductivity have been hampered by the lack of aliovalent dopants that can introduce vacancies into the structure. Inspired by the need for vacancy introduction into Na3PnS4, the solid solutions with WS42- introduction are explored. The influence of the substitution with WS42- for PS43- and SbS43-, respectively, is monitored using a combination of X-ray diffraction, Raman and impedance spectroscopy. With increasing vacancy concentration improvements resulting in a very high ionic conductivity of 13 ± 3 mS·cm-1 for Na2.9P0.9W0.1S4 and 41 ± 8 mS·cm-1 for Na2.9Sb0.9W0.1S4 can be observed. This work acts as a stepping-stone towards further engineering of ionic conductors using vacancy-injection via aliovalent substituents.

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Defect-Mediated Conductivity Enhancements in Na3-xPn1-xWxS4 (Pn = P, Sb) using Aliovalent Substitutions

10.26434/chemrxiv.9943961.v1 ◽

2019 ◽

Author(s):

Till Fuchs ◽

Sean Culver ◽

Paul Till ◽

Wolfgang Zeier

Keyword(s):

Ionic Conductivity ◽

Vacancy Concentration ◽

Sodium Ion ◽

High Ionic Conductivity ◽

Ionic Conductors ◽

X Ray Diffraction ◽

X Ray ◽

Solid State Batteries ◽

Ion Conducting ◽

Very High

The sodium-ion conducting family of Na3PnS4, with Pn = P, Sb, have gained interest for the use in solid-state batteries due to their high ionic conductivity. However, significant improvements to the conductivity have been hampered by the lack of aliovalent dopants that can introduce vacancies into the structure. Inspired by the need for vacancy introduction into Na3PnS4, the solid solutions with WS42- introduction are explored. The influence of the substitution with WS42- for PS43- and SbS43-, respectively, is monitored using a combination of X-ray diffraction, Raman and impedance spectroscopy. With increasing vacancy concentration improvements resulting in a very high ionic conductivity of 13 ± 3 mS·cm-1 for Na2.9P0.9W0.1S4 and 41 ± 8 mS·cm-1 for Na2.9Sb0.9W0.1S4 can be observed. This work acts as a stepping-stone towards further engineering of ionic conductors using vacancy-injection via aliovalent substituents.

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Residual phase lignin in haft cooking related to the conditions in the cook

Nordic Pulp & Paper Research Journal ◽

10.3183/npprj-1997-12-04-p225-23 ◽

1997 ◽

Vol 12 (4) ◽

pp. 225-229

Author(s):

Cart-in A-S. Gustavsson ◽

Chritofer T. Lindgren ◽

Mikael E. Lindström

Keyword(s):

Hydrogen Sulfide ◽

Ionic Strength ◽

Sodium Ion ◽

Ion Concentration ◽

Constant Composition ◽

Hydroxide Ion ◽

Sulfide Ion ◽

Residual Phase ◽

Kraft Cooking ◽

Very High

Abstract The amount of lignin reacting according to the slow residual phase, i.e. the residual phase lignin, is in many perspectives an interesting issue. The purpose of the present investigation was to develop a mathematical model to show how the amount of residual phase lignin in the kraft cooking of spruce chips (Picm ahies) depends on the conditions in the earlier phases of the cook. The variables studied were hydroxide ion concentration, hydrogen sulfide ion concentration and ionic strength. The liquor-to-wood ratio during pulping was very high to maintain approximately constant chemical concentrations throughout each experiment (so called "constant composition" cooks). An increase in hydroxide ion concentration andtor hydrogen sulfide ion concentration leads to a decrease in the amount of residual phase lignin, while an increase in ionic strength, i.e. sodium ion concentration, leads to an increase. A signiticant result is that the hydrogen sulfide ion concentration has a pronounced influence on the amount of residual phase lignin during a cook at a low hydroxide ion concentration. The amount of residual phase lignin expressed as % lignin on wood, L,, can be described by the following equation developed for "constant composition" cooks (when cooking with a constant sodium ion concentration of 2 mol/L): LT=0,55-0.32*[HO-](-1,3)*ln[HS-] This equation is valid for a concentration of HO- in the range from 0.17 to 1.4, and a hydrogen sulfide ion concentration from 0.07 to 0.6 mol/L.

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Novel Nanotechnology For The Practical Application Of Aqueous Sodium Ion Capacitors

10.31988/scitrends.22847 ◽

2018 ◽

Author(s):

Qi Yang ◽

Chunyi Zhi

Keyword(s):

Sodium Ion ◽

Practical Application ◽

Aqueous Sodium

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