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도예베르트의 이론적 사고에 대한 선험적 비판과 우주법 이념의 중심성
한상화 아세아연합신학대학교 신학연구소 2013 ACTS 神學과 宣敎 Vol.13 No.-
The thesis of this paper is that Dooyeweerd`s philosophy as a representative Christian philosophy is based on his view of the divine law of creation, namely the Cosmonomic Idea. His transcendental criticism of theoretical thought presupposes his earlier thought of the Cosmonomic Idea. By demonstrating this thesis, This paper is designed to show that God is the center even in the realm of epistemology. The most fundamental thesis which Dooyeweerd maintained throughout his career can be said to be the thesis of the intrinsic connection of religion and thought. This paper will try to show the centrality of the Cosmonomic Idea in Dooyeweerd`s transcendental critique of theoretical thought. For it is the transcendental ground-idea of philosophy which plays a central role in his transcendental critique. Also his Christian Cosmonomic Idea as the basis of his cosmology and anthropology, which are closely related to his transcendental criticism, again provides a basis for it.
An Amber Force Field for S-Nitrosoethanethiol That Is Transferable to S-Nitrosocysteine
한상화 대한화학회 2010 Bulletin of the Korean Chemical Society Vol.31 No.10
Protein S-nitrosation is common in cells under nitrosative stress. In order to model proteins with S-nitrosocysteine (CysSNO) residues, we first developed an Amber force field for S-nitrosoethanethiol (EtSNO) and then transferred it to CysSNO. Partial atomic charges for EtSNO and CysSNO were obtained by a restrained electrostatic potential approach to be compatible with the Amber-99 force field. The force field parameters for bonds and angles in EtSNO were obtained from a generalized Amber force field (GAFF) by running the Antechamber module of the Amber software package. The GAFF parameters for the CC-SN and CS-NO dihedrals were not accurate and thus determined anew. The CC-SN and CS-NO torsional energy profiles of EtSNO were calculated quantum mechanically at the level of B3LYP/cc-pVTZ//HF/6-31G*. Torsional force constants were obtained by fitting the theoretical torsional energies with those obtained from molecular mechanics energy minimization. These parameters for EtSNO reproduced, to a reasonable accuracy, the corresponding torsional energy profiles of the capped tripeptide ACE-CysSNO-NME as well as their structures obtained from quantum mechanical geometry optimization. A molecular dynamics simulation of myoglobin with a CysSNO residue produced a well-behaved trajectory demonstrating that the parameters may be used in modeling other S-nitrosated proteins.
한상화 대한화학회 2019 Bulletin of the Korean Chemical Society Vol.40 No.12
Stratum corneum (SC) lipids serve as a barrier against exogenous chemicals and microbes. Interpretation of an experimental observation made on the SC lipids is a formidable task due to an extremely large variation in the chain length and headgroup of the lipids. Therefore much work has been done on model systems with a simple composition of well-defined components. Experiments on the model membranes support for the hydration of the headgroup region but its effect on the membrane properties needs to be studied systematically through a molecular modeling. In this study MD simulation has been performed on a membrane containing an equimolar mixture of ceramide[NP]24, lignoceric acid, and cholesterol for which a neutron diffraction study has been reported recently. Structure and the dynamic properties of the lipids demonstrated that the membrane was in a hexagonally packed gel phase. Hydration of the headgroup region promoted the lateral motion. Water formed multiple hydrogen bonds with the lipids and the majority of water molecules were clustered together to form pools. Water molecules outside of the pools were less mobile and sometimes stuck in an anhydrous region making it difficult to jump to the headgroup region of the opposing lipid layer. Such interactions slowed down the diffusion of water by one or two orders of magnitude compared with the bulk water. Repeat distance and neutron scattering length density calculated from the MD simulation were in good agreement with the experimentally determined values when the bilayer was hydrated by 2 H2O per lipid.