1:1 and 2:1 Urea−Succinic Acid Cocrystals: Structural Diversity, Solution Chemistry, and Thermodynamic Stability

The building of new Supramolecular Coordination Containers obtained through the linking of tetrasulfonylcalix[4]arene (3-4H) based transition metal tetra- or trinuclear clusters by succinic acid (suc) as a flexible aliphatic connector...

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Coordination Assemblies of CoII/NiII/ ZnII/CdII with Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism

Crystal Growth & Design ◽

10.1021/cg201577w ◽

2012 ◽

Vol 12 (4) ◽

pp. 1890-1898 ◽

Cited By ~ 33

Author(s):

Fu-Ping Huang ◽

Qian Zhang ◽

Qing Yu ◽

He-Dong Bian ◽

Hong Liang ◽

...

Keyword(s):

Succinic Acid ◽

Structural Diversity

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Comparison of the physical and thermodynamic stability of amorphous azelnidipine and its coamorphous phase with piperazine

RSC Advances ◽

10.1039/c8ra05535a ◽

2018 ◽

Vol 8 (57) ◽

pp. 32756-32764 ◽

Cited By ~ 2

Author(s):

Shuang Du ◽

Wen Sheng Li ◽

Ya Rong Wu ◽

Yan Fu ◽

Caiqin Yang ◽

...

Keyword(s):

Amorphous Phase ◽

Thermodynamic Stability ◽

Solution Chemistry ◽

Chemistry Method ◽

Hcl Medium

The thermodynamic stabilities of an amorphous phase and a coamorphous phase of azelnidipine in 0.01 M HCl medium were investigated using a solution chemistry method.

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Aluminum(III)-Isocitrate Solution Chemistry. A Potentiometric Study

Australian Journal of Chemistry ◽

10.1071/ch9951039 ◽

1995 ◽

Vol 48 (5) ◽

pp. 1039

Author(s):

KJ Powell ◽

RM Town

Keyword(s):

Potentiometric Titration ◽

Thermodynamic Stability ◽

Protonation Constants ◽

Solution Chemistry ◽

Potentiometric Study ◽

Equilibrium Reactions

The equilibrium reactions of isocitrate with protons and Al3+ have been studied by potentiometric titration in aqueous 0.10 M KCl at 25°C. The protonation constants, corrected for K+-isocitrate complexing , were logβ0,1,1 = 5.838, logβ0,2,1 = 10.126 and logβ0,3,1 = 13.219. The stabilities and stoichiometries of the complexes, AlpHqLr, were defined by the constants logβ1,1,1 = 9.55(05), logβ1,0,1 = 6.90(02), logβ1,-1,1 = 3.06(04) and logβ2,-3,2 = 4.08(04) or logβ3,-4,3 = 10.36(06). Compared with the Al3+-citrate system, complexes are of lower thermodynamic stability, but equilibrate more rapidly.

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Acidic polysaccharides containing succinic acid in various strains of agrobacterium

Carbohydrate Research ◽

10.1016/s0008-6215(00)83573-9 ◽

1978 ◽

Vol 60 (2) ◽

pp. 89-96

Author(s):

M Hisamatsu

Keyword(s):

Succinic Acid ◽

Acidic Polysaccharides

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STATE OF ANTIOXIDANT AND IMMUNE SYSTEMS IN FOX AND POLAR FOX IN POSTVACCINAL PERIOD DURING ADDITION OF SUCCINIC ACID TO THEIR FOOD

Sel skokhozyaistvennaya Biologiya ◽

10.15389/agrobiology.2012.2.106eng ◽

2012 ◽

pp. 106-112

Author(s):

O.Yu. Bespyatykh ◽

◽

I.A. Domskii ◽

Z.N. Bel’tyukova ◽

A.E. Kokorina ◽

...

Keyword(s):

Succinic Acid ◽

Immune Systems

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Using a Software Application to Evaluation Thermodynamic Stability on the Example of Iron

Proceedings of Universities ELECTRONICS ◽

10.24151/1561-5405-2019-24-3-309-312 ◽

2019 ◽

Vol 24 (3) ◽

pp. 309-312

Author(s):

Aleksandr S. Gulyaev ◽

◽

Vladimir B. Koltsov ◽

Elena A. Sevryukova ◽

◽

...

Keyword(s):

Thermodynamic Stability ◽

Software Application

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Solution chemistry effects on the solvation shell of metal ions

10.26434/chemrxiv.12048738.v1 ◽

2020 ◽

Author(s):

Xiangwen Wang ◽

Dimitrios Toroz ◽

Seonmyeong Kim ◽

Simon Clegg ◽

Gun-Sik Park ◽

...

Keyword(s):

Metal Ions ◽

Pure Water ◽

Solvation Shell ◽

Solution Chemistry ◽

Chemical Characteristics ◽

Velocity Autocorrelation Function ◽

Ionic Solvation ◽

General Terms ◽

Alkaline Earth Metal Ions ◽

Wide Range

<div> As natural aqueous solutions are far from being pure water, being rich in ions, the properties of solvated ions are of relevance for a wide range of systems, including biological and geochemical environments. We conducted ab initio and classical MD simulations of the alkaline earth metal ions Mg2+ and Ca2+ and of the alkali metal ions Li+, Na+, K+ and Cs+ in pure water and electrolyte solutions containing the counterions Cl– and SO42–. Through a detailed analysis of these simulations, this study reports on the effect of solution chemistry (composition and concentration of the solution) to the ion–water structural properties and interaction strength, and to the dynamics, hydrogen bond network, and low-frequency dynamics of the ionic solvation shell. Except for the ion–water radial distribution function, which is weakly dependent on the counter-ions and concentrations, we found that all other properties can be significantly influenced by the chemical characteristics of the solution. Calculation of the velocity autocorrelation function of magnesium ions, for example, shows that chlorine ions located in the second coordination shell of Mg2+ weaken the Mg(H2O)62+ hydration ‘cage’ of the cation. The result reported in this study suggest that ionic solvation shell can be significantly influenced by the interactions between other ions present in solution ions, especially those of opposite charge. In more general terms, the chemical characteristics of the solution, including the balance between ion-solvent and ion-ion interactions, could result in significant differences in behavior and function of the ionic solvation shell. </div>

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Metal-, and Organocatalyst-Free One-Pot Assembly of Chiral Aza-Tricyclic Molecules: Creating Six Contiguous Stereocenters from 2-D-Structures and an Amino Acid

10.26434/chemrxiv.12757943.v1 ◽

2020 ◽

Author(s):

Dung Do

Keyword(s):

Amino Acid ◽

Chemical Space ◽

Structural Diversity ◽

Therapeutic Agents ◽

Chiral Molecules ◽

One Pot ◽

Complex Molecules ◽

Chiral Catalyst ◽

Chiral Complex ◽

Free Process

Chiral molecules with their defined 3-D structures are of paramount importance for the study of chemical biology and drug discovery. Having rich structural diversity and unique stereoisomerism, chiral molecules offer a large chemical space that can be explored for the design of new therapeutic agents.1 Practically, chiral architectures are usually prepared from organometallic and organocatalytic processes where a transition metal or an organocatalyst is tailor-made for desired reactions. As a result, developing a method that enables rapid assembly of chiral complex molecules under metal- and organocatalyst-free condition represents a daunting challenge. Here we developed a straightforward route to create a chiral 3-D structure from 2-D structures and an amino acid without any chiral catalyst. The center of this research is the design of a <a>special chiral spiroimidazolidinone cyclohexadienone intermediate</a>, a merger of a chiral reactive substrate with multiple nucleophillic/electrophillic sites and a transient organocatalyst. <a>This unique substrate-catalyst (“subcatalyst”) dual role of the intermediate enhances </a><a>the coordinational proximity of the chiral substrate and catalyst</a> in the key Aza-Michael/Michael cascade resulting in a substantial steric discrimination and an excellent overall diastereoselectivity. Whereas the “subcatalyst” (hidden catalyst) is not present in the reaction’s initial components, which renders a chiral catalyst-free process, it is strategically produced to promote sequential self-catalyzed reactions. The success of this methodology will pave the way for many efficient preparations of chiral complex molecules and aid for the quest to create next generation of therapeutic agents.

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Theoretical and Experimental Evaluation of the Effect of Fluorinated Substituent on the Topological Landscape and Thermodynamic Stability of Zeolitic Imidazolate Framework Polymorphs

10.26434/chemrxiv.7072577.v1 ◽

2018 ◽

Author(s):

Mihails Arhangelskis ◽

Athanassis Katsenis ◽

Novendra Novendra ◽

Zamirbek Akimbekov ◽

Dayaker Gandrath ◽

...

Keyword(s):

Density Functional Theory ◽

Mechanochemical Synthesis ◽

Thermodynamic Stability ◽

Experimental Evaluation ◽

Density Functional ◽

Theoretical Calculations ◽

Zeolitic Imidazolate Framework ◽

Functional Theory ◽

Calorimetric Measurements ◽

And Calorimetry

By combining mechanochemical synthesis and calorimetry with theoretical calculations, we demonstrate that dispersion-corrected periodic density functional theory (DFT) can accurately survey the topological landscape and predict relative energies of polymorphs for a previously inaccessible fluorine-substituted zeolitic imidazolate framework (ZIF). Experimental screening confirmed two out of three theoretically anticipated polymorphs, and the calorimetric measurements provided an excellent match to theoretically calculated energetic difference between them.

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