• Bulletin of the Korean Chemical Society
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• 제27권12호
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• pp.2051-2054
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• 2006

The molecular structures of the ground and lowest triplet states of 2,3-diazabicyclo[2.2.1]hept-2-ene (DBH), 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) and their fused ring derivatives are investigated with an ab initio method and the density functional theory. Unlike the singlet DBH and DBO, the azo skeletal structures of the triplet counterparts are turned out to be quite sensitive to the change of the electronic structure of the fused ring. The B3LYP C-N=N-C dihedral angles of the triplet DBH and DBO are estimated to be about 28.0 and $40.4{^{\circ}}$, respectively. The B3LYP singlet-triplet energy gaps for DBH and DBO are predicted to be 58.4 and 48.4 kcal/mol, respectively. The triplet state energy can be lowered drastically by the presence of the remote $\Pi-\Pi$ interaction as in the case of 1bb'.

• 약학회지
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• 제33권2호
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• pp.87-100
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• 1989

Salicylic acids as anti-inflammatory agents were analyzed by ab initio, quantum chemical methods to study the possible modes of binding to the receptor. As the result of multiple regression analysis of reactivity indices and interpretation of normalized frontier orbital charges of drugs, potency seems to be related to energy of HOMO and LUMO at the 5 position of benzene ring, and in the 5-phenyl substituted case, the para position of substituting ring is important. The binding occurs first at the positive site of its receptor. The charge density exhibited by the frontier orbitals suggests that charge moves from receptor site to carboxyl group. The electrostatic orientation effect makes an important contribution to the binding of the active molecules to their receptors. Also the electrostatic potential model may be able to rationalize the source of activity or inactivity of the drugs under investigation.

• Kyungpook Mathematical Journal
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• 제54권1호
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• pp.65-72
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• 2014

A ring R is called weakly semicommutative ring if for any a, $b{\in}R^*$ = R\{0} with ab = 0, there exists $n{\geq}1$ such that either an $a^n{\neq}0$ and $a^nRb=0$ or $b^n{\neq}0$ and $aRb^n=0$. In this paper, many properties of weakly semicommutative rings are introduced, some known results are extended. Especially, we show that a ring R is a strongly regular ring if and only if R is a left SF-ring and weakly semicommutative ring.

• 미생물학회지
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• 제31권2호
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• pp.129-134
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• 1993

4-Chlorobiphenyl(4CB) 과 biphenyl 을 분해하는 Pseudomoas sp. DJ-12 의 pcbAB 는 분해초기 단계에 작용하는 4-chlorobiphenyl dioxygenase 와 dihydrodiol dehydrogenase 효소를 생산하는 유전자들이다. 이 유전자를 E. coli XL1-Blue 에 플로닝하여 CU101 형질전환체를 얻었다. CU101 의 pCU101 재조합 plasmid 에 클로닝된 pcbAB 유전자는 크기가 약 2.2 kb 이고 3 개의 Hind III 제한효소 위치가 있었으며, 독자적인 promoter 를 가지고 있었다. CU101 에 대하여 biphenyl 을 기질로 하여 생성된 대사산물을 resting cell assay 를 한 결과 2, 3-dihydroxybiphenyl 이 검출되어 pcbAB 유전자들이 E. coli 에서 잔 발현된다는 것을 의미하였다. 그러나 dechlorination 작용은 pcbAB 유전자와 관계없이 4AB 의 개환과정 후 생성된 4-chlorobenzoate 에서 일어나는 것으로 해석된다.

• Korean Journal of Mathematics
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• 제18권2호
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• pp.119-132
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• 2010

P. M. Cohn called a ring R reversible if whenever ab = 0, then ba = 0 for $a,b{\in}R$. In this paper, we study an extension of a reversible ring with its endomorphism. An endomorphism ${\alpha}$ of a ring R is called strong right (resp., left) reversible if whenever $a{\alpha}(b)=0$ (resp., ${\alpha}(a)b=0$) for $a,b{\in}R$, ba = 0. A ring R is called strong right (resp., left) ${\alpha}$-reversible if there exists a strong right (resp., left) reversible endomorphism ${\alpha}$ of R, and the ring R is called strong ${\alpha}$-reversible if R is both strong left and right ${\alpha}$-reversible. We investigate characterizations of strong ${\alpha}$-reversible rings and their related properties including extensions. In particular, we show that every semiprime and strong ${\alpha}$-reversible ring is ${\alpha}$-rigid and that for an ${\alpha}$-skew Armendariz ring R, the ring R is reversible and strong ${\alpha}$-reversible if and only if the skew polynomial ring $R[x;{\alpha}]$ of R is reversible.

• 대한수학회보
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• 제58권5호
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• pp.1069-1078
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• 2021

Let R be a commutative ring with identity. A proper ideal I of R is called 1-absorbing primary ([4]) if for all nonunit a, b, c ∈ R such that abc ∈ I, then either ab ∈ I or c ∈ ${\sqrt{1}}$. The concept of 1-absorbing primary ideals in a polynomial ring, in a PID and in idealization of a module is studied. Moreover, we introduce weakly 1-absorbing primary ideals which are generalization of weakly prime ideals and 1-absorbing primary ideals. A proper ideal I of R is called weakly 1-absorbing primary if for all nonunit a, b, c ∈ R such that 0 ≠ abc ∈ I, then either ab ∈ I or c ∈ ${\sqrt{1}}$. Some properties of weakly 1-absorbing primary ideals are investigated. For instance, weakly 1-absorbing primary ideals in decomposable rings are characterized. Among other things, it is proved that if I is a weakly 1-absorbing primary ideal of a ring R and 0 ≠ I₁I₂I₃ ⊆ I for some ideals I₁, I₂, I₃ of R such that I is free triple-zero with respect to I₁I₂I₃, then I₁I₂ ⊆ I or I₃ ⊆ I.

• 대한수학회논문집
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• 제25권3호
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• pp.349-364
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• 2010

P. M. Cohn called a ring R reversible if whenever ab = 0, then ba = 0 for a, $b\;{\in}\;R$. Commutative rings and reduced rings are reversible. In this paper, we extend the reversible condition of a ring as follows: Let R be a ring and $\alpha$ an endomorphism of R, we say that R is right (resp., left) $\alpha$-shifting if whenever $a{\alpha}(b)\;=\;0$ (resp., $\alpha{a)b\;=\;0$) for a, $b\;{\in}\;R$, $b{\alpha}{a)\;=\;0$ (resp., $\alpha(b)a\;=\;0$); and the ring R is called $\alpha$-shifting if it is both left and right $\alpha$-shifting. We investigate characterizations of $\alpha$-shifting rings and their related properties, including the trivial extension, Jordan extension and Dorroh extension. In particular, it is shown that for an automorphism $\alpha$ of a ring R, R is right (resp., left) $\alpha$-shifting if and only if Q(R) is right (resp., left) $\bar{\alpha}$-shifting, whenever there exists the classical right quotient ring Q(R) of R.

• 대한수학회보
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• 제54권6호
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• pp.1913-1925
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• 2017

Let R be a ring with identity. An ideal N of R is called ideal-symmetric (resp., ideal-reversible) if $ABC{\subseteq}N$ implies $ACB{\subseteq}N$ (resp., $AB{\subseteq}N$ implies $BA{\subseteq}N$) for any ideals A, B, C in R. A ring R is called ideal-symmetric if zero ideal of R is ideal-symmetric. Let S(R) (called the ideal-symmetric radical of R) be the intersection of all ideal-symmetric ideals of R. In this paper, the following are investigated: (1) Some equivalent conditions on an ideal-symmetric ideal of a ring are obtained; (2) Ideal-symmetric property is Morita invariant; (3) For any ring R, we have $S(M_n(R))=M_n(S(R))$ where $M_n(R)$ is the ring of all n by n matrices over R; (4) For a quasi-Baer ring R, R is semiprime if and only if R is ideal-symmetric if and only if R is ideal-reversible.

• Bulletin of the Korean Chemical Society
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• 제27권1호
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• pp.39-43
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• 2006

The relaxed torsional potential of a liquid crystalline polymer containing an ester functional group in a mesogenic unit (hereafter 12-4 oligomer) has been calculated with the ab initio self-consistent-field using 6-31G$^*$ basis set. GIAO^{13}C NMR chemical shifts also have been calculated at the B3LYP/6-31G$^*$ level of theory for each conformational structure obtained from torsional potential calculation. The results show that the phenyl ring-ester linkages are coplanar with the dihedral angle of about 0$^{\circ}$ and the ring-ring linkages in the biphenyl groups are tilted with the dihedral angle of around 43-44$^{\circ}$ in the lowest energy conformer. The biphenyl ring has a comparatively lower energy barrier of internal rotation potential in the ring-ring than that of phenyl ring-ester. The ^{13}C chemical shifts of carbonyl carbons were found to move to upfield due to $\pi$ -conjugation with phenyl ring and slightly affected about 0.5 ppm by dihedral angle of the ring-ring linkage.

• 대한수학회보
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• 제55권6호
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• pp.1713-1726
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• 2018

We study the one-sided regularity of matrices in upper triangular matrix rings in relation with the structure of diagonal entries. We next consider a ring theoretic condition that ab being regular implies ba being also regular for elements a, b in a given ring. Rings with such a condition are said to be commutative at regular product (simply, CRP rings). CRP rings are shown to be contained in the class of directly finite rings, and we prove that if R is a directly finite ring that satisfies the descending chain condition for principal right ideals or principal left ideals, then R is CRP. We obtain in particular that the upper triangular matrix rings over commutative rings are CRP.