• YAKHAK HOEJI
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• v.36 no.6
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• pp.518-528
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• 1992

To determine the optimal conformation of sulfonylureas, the correlation between conformation and hypoglycemic activity of the two sulfonylureas of tolbutamide and chlorpropamide as hypoglycemic agent was studied using an empirical potential function (ECEPP/2) and the hydration shell model in the unhydrated and hydrated states. The conformational energy was minimized from several starting conformations with possible torsion angles in each molecule. The conformational entropy change of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecules in aqueous solution, the contribution of water-accessible volume of each group or atom in the lowest-free-energy conformation was calculated and compared each other. From comparison of the computed lowest-free-energy conformations of two sulfonylureas, it could be suggested that the hydration of sulfonylurea moiety is related to increase the hypoglycemic activity. From the calculation results, it was known that the conformational entropy is the major contribution to stabilize the low-free-energy conformations of two sulfonylureas in unhydrated state. Whereas, in hydrated state, the hydration free energy largely contributes to the total free energies of low-free-energy conformations of tolbutamide and conformational entropy contributes to stabilize the low-free-energy conformations of chlorpropamide. The torsion angles from phenyl ring to urea moiety of the low-free-energy conformations of the two sulfonylureas were shown the nearly regular trend. On the basis of these results, the conformation exhibiting the optimal hypoglycemic activity of sulfonylureas and the binding direction to pancreatic receptor site A could be predicted. Also, according to the side chain lengthening of urea moiety, tolbutamide showed various conformational change. Therefore, steric effect may be important factor in the interaction between sulfonylureas and the putative pancreatic receptor.

• Archives of Pharmacal Research
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• v.13 no.1
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• pp.43-50
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• 1990

Conformational free energy calculations using an empirical potential function (ECEPP/2) and hydration shell model were carried out on the four-4-aminodiphenyl sulfone analogues of 4, 4'-diamino-2' methyldiphenyl sulfone, 4, 2', 4-triaminodiphenyl sulfone, 4, 4'-diaminodiphenyl sulfone, and 4-aminodiphenyl sulfone as antibacterial agents on Mycobacterium lufu. The conformational energy was minimized from starting conformations which included possible combinations of torsion angles in the molecule. The conformational entropy change of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecule in aqueous solution, the contributions of water-accessible volume and the hydration free energy of each group or atom in the lowest-free-energy conformation was calculated and compared each other. From comparison of the computed lowest-free-energy conformations of four analogues with their antibacterial activities, it is known that the conformation and the hydrophobicity of sulfonyl group and its adjacent carbon atom in each compound are the essential factors to show the strong antibacterial activity.

• Journal of the Chungcheong Mathematical Society
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• v.29 no.4
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• pp.643-650
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• 2016

In this paper, we introduce the notion of a semiderivation on near-rings, and we try to generalize some properties of prime rings with derivations to prime near-rings with semiderivations.

• Bulletin of the Korean Mathematical Society
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• v.46 no.3
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• pp.553-565
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• 2009

In this paper we prove that every generalized Jordan triple higher derivation on a 2-torsion free semiprime ring is a generalized higher derivation. This extend the main result of [9] to the case of a semiprime ring.

• Honam Mathematical Journal
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• v.36 no.3
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• pp.505-517
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• 2014

We prove that every Jordan higher left (right) centralizer on a 2-torsion free semiprime ring is a higher left (right) centralizer which is to generalize the result of Zalar [18].

• East Asian mathematical journal
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• v.22 no.2
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• pp.189-194
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• 2006

Throughout this paper, a semigroup S will denote a torsion free grading monoid, and it is a non-zero semigroup with 0. The operation is written additively. The aim of this paper is to study semigroup version of an integral domain ([1],[3],[4] and [5]).

• East Asian mathematical journal
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• v.36 no.1
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• pp.101-114
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• 2020

In this paper, we investigate commutativity of semiprime rings with a derivation which is strongly commutativity preserving and acts as a homomorphism or as an anti-homomorphism on a nonzero Lie ideal.

• Kyungpook Mathematical Journal
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• v.49 no.3
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• pp.419-424
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• 2009

Let J be the Jacobian variety of a hyperelliptic curve over $\mathbb{Q}$. Let M be the field generated by all square roots of rational integers over a finite number field K. Then we prove that the Mordell-Weil group J(M) is the direct sum of a finite torsion group and a free $\mathbb{Z}$-module of infinite rank. In particular, J(M) is not a divisible group. On the other hand, if $\widetilde{M}$ is an extension of M which contains all the torsion points of J over $\widetilde{\mathbb{Q}}$, then $J(\widetilde{M}^{sol})/J(\widetilde{M}^{sol})_{tors}$ is a divisible group of infinite rank, where $\widetilde{M}^{sol}$ is the maximal solvable extension of $\widetilde{M}$.

• Bulletin of the Korean Chemical Society
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• v.4 no.3
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• pp.133-139
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• 1983

To understand the importance of Y-base adjacent to the anticodon stabilizing codon-anticodon interaction, a study has been undertaken for the model compound involving the interaction between Y-base and anticodon as well as the participation of water molecule by calculating the conformational free energy using an empirical potential function. We restrict our analysis to sites directly associated with Y-base by varying only the backbone torsion angles of Y-base. The hydration and $Mg^{+2}$ binding effects on the conformational stability of Y-base are calculated and discussed. The free Y-base is proved to be less stable than the hydrated one. The free energy change due to the hydration of Y-base amounts to -119.5 kcal/mole, in which the conformational energy change is -142.4 kcal/mole and the configurational entropy change is -76.9 e. u. It is found that the water molecules bound to Y-base and $Mg^{+2}$ contribute to the conformation of Y-base dominantly.

• Journal of the Chungcheong Mathematical Society
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• v.30 no.2
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• pp.251-258
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• 2017

The aim of the present paper is to establish some results involving generalized ${\ast}$-derivations in ${\ast}$-rings and investigate the commutativity of prime ${\ast}$-rings admitting generalized ${\ast}$-derivations of R satisfying certain identities and some related results have also been discussed.