Minwoo Han

Daegu-Gyeongbuk Medical Innovation Foundation

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Eunji Sim

Yonsei University

Himanshu Khandelia

University of Southern Denmark

Young‐A Son

Chungnam National University

Jungin Hyun

Yonsei University

Wojciech Kopeć

Max Planck Institute for Dynamics and Self-Organization

Jee‐Young Lee

Daegu-Gyeongbuk Medical Innovation Foundation

Ilia A. Solov’yov

Carl von Ossietzky Universität Oldenburg

Masahiko Iyoda

Tokyo Metropolitan University

Woojae Kim

Rural Development Administration

Hideyuki Shimizu

Keio University

Cooperative Institutions

Yonsei University

Seoul National University

Chungnam National University

Henan University

Government of the Republic of Korea

Korea University

Pohang University of Science and Technology

The University of Tokyo

Daegu-Gyeongbuk Medical Innovation Foundation

Korea Advanced Institute of Science and Technology

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Powderization of Combustion Products in Magnesium-Wire and Water Micropropulsion System: Proof of Concept

Minwoo Han Hiroyuki Koizumi Kimiya Komurasaki

Proof of concept

10.52202/078371-0090

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Citations (0)

Influence of the block hydrophilicity of AB2 miktoarm star copolymers on cluster formation in solutions

The Journal of Chemical Physics (2011)

Minwoo Han Minhyung Hong Eunji Sim

We investigated the formation of various micelle shapes of lipid-like amphiphilic AB2 miktoarm star copolymers in a solution, by performing dissipative particle dynamics simulations. AB2 miktoarm star copolymer molecules are modeled with coarse-grained structures that consist of a relatively hydrophilic head (A) group with a single arm and a hydrophobic tail (B) group with double arms. A decrease in the hydrophilicity of the head group leads to a reduction of the polymer-solvent contact area, causing cluster structure changes from spherical micelles to vesicles. Consequently, a spherical exterior with multi-lamellar or cylindrical phase interior structures forms under poor solvent conditions without the introduction of spherical hard-wall containers. Furthermore we observed that, for small head group lengths, vesicles were formed in much wider range of solvent-head interaction strength than for long head groups, indicating that molecules with short head group offer a superior vesicle forming property. A phase diagram, the structure and kinetics of the cluster formation, a density profile, and a detailed shape analysis are presented to discuss the molecular characteristics of potential candidates for drug carriers that require superior and versatile vesicle forming properties. We also show that, under certain solvent-hydrophilic head group interaction conditions, initially formed cylindrical micelles transform to bilayer fragments through redistribution of copolymers within the cluster.

Dissipative particle dynamics

10.1063/1.3586804

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Citations (14)

Excited‐State Dynamic Planarization of Cyclic Oligothiophenes in the Vicinity of a Ring‐to‐Linear Excitonic Behavioral Turning Point

Angewandte Chemie (2015)

Kyu Hyung Park Pyosang Kim Woojae Kim Hideyuki Shimizu Minwoo Han

Abstract Excited‐state dynamic planarization processes play a crucial role in determining exciton size in cyclic systems, as reported for π‐conjugated linear oligomers. Herein, we report time‐resolved fluorescence spectra and molecular dynamics simulations of π‐conjugated cyclic oligothiophenes in which the number of subunits was chosen to show the size‐dependent dynamic planarization in the vicinity of a ring‐to‐linear behavioral turning point. Analyses on the evolution of the total fluorescence intensity and the ratio between 0–1 to 0–0 vibronic bands suggest that excitons formed in a cyclic oligothiophene composed of six subunits fully delocalize over the cyclic carbon backbone, whereas those formed in larger systems fail to achieve complete delocalization. With the aid of molecular dynamics simulations, it is shown that distorted structures unfavorable for efficient exciton delocalization are more easily populated as the size of the cyclic system increases.

Chemical Mechanical Planarization

Ring size

10.1002/ange.201504588

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Citations (9)

Chemical Warfare Agent Simulant Decontamination of Chitosan Treated Cotton Fabric

Textile Coloration and Finishing (2020)

Woong Kwon Minwoo Han Euigyung Jeong

Human decontamination

Chemical warfare

10.5764/tcf.2020.32.1.51

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Citations (1)

Chemical optimization and derivatization of micrococcin p2 to target multiple bacterial infections: new antibiotics from thiopeptides

World Journal of Microbiology and Biotechnology (2024)

Jiyun Park Dahyun Kim Young‐Jin Son Marco A. Ciufolini Shyaka Clovis

Drug Development

10.1007/s11274-024-04109-5

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Identification of Micrococcin P2-Derivatives as Antibiotic Candidates against Two Gram-Positive Pathogens

Journal of Medicinal Chemistry (2023)

Dahyun Kim Jusuk Lee Shyaka Clovis Jin‐Hwan Kwak Hyunjoo Pai

Thiopeptides exhibit potent antimicrobial activity against Gram-positive pathogens by inhibiting bacterial protein synthesis. Micrococcins are among the structurally simpler thiopeptides, but they have not been exploited in detail. This research involved a computational simulation of micrococcin P2 (MP2) docking in parallel with the structure-activity relationship (SAR) studied. The incorporation of particular nitrogen heterocycles in the side chain of MP2 enhances the antimicrobial activity. Micrococcin analogues 6c and 6d thus proved to be more effective against impetigo and C. difficile infection (CDI), respectively, as compared to current first-line treatments. Compound 6c also showed a shorter treatment period than that of a first-line treatment for impetigo. This may be attributed to its ability to downregulate pro-inflammatory cytokines. Compound 6d had no observed recurrence for C. difficile and exerted a minimal impact on the beneficial gut microbiome. Their pharmacokinetic properties and low toxicity profile make these compounds ideal candidates for the treatment of impetigo and CDI and validate their involvement in preclinical development.

Impetigo

Gram

Docking (animal)

10.1021/acs.jmedchem.3c01309

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Citations (5)

A Development of the Model Based Torque Feedback Control with Disturbance Observer for Electric Power Steering System

SAE technical papers on CD-ROM/SAE technical paper series (2019)

Deukpyo Lee Yun Gab Lo Minwoo Han Kyuwon Kim Chulhee Kim

Observer (physics)

Feedback Control

10.4271/2019-01-1233

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Citations (1)

K+ binding and proton redistribution in the E2P state of the H+, K+-ATPase

Scientific Reports (2018)

Vikas Dubey Minwoo Han Wojciech Kopeć Ilia A. Solov’yov Kazuhiro Abe

The H

Proton Pump

Electrochemical gradient

Stoichiometry

10.1038/s41598-018-30885-w

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Citations (14)

Excited‐State Dynamic Planarization of Cyclic Oligothiophenes in the Vicinity of a Ring‐to‐Linear Excitonic Behavioral Turning Point

Angewandte Chemie International Edition (2015)

Kyu Hyung Park Pyosang Kim Woojae Kim Hideyuki Shimizu Minwoo Han

Excited-state dynamic planarization processes play a crucial role in determining exciton size in cyclic systems, as reported for π-conjugated linear oligomers. Herein, we report time-resolved fluorescence spectra and molecular dynamics simulations of π-conjugated cyclic oligothiophenes in which the number of subunits was chosen to show the size-dependent dynamic planarization in the vicinity of a ring-to-linear behavioral turning point. Analyses on the evolution of the total fluorescence intensity and the ratio between 0-1 to 0-0 vibronic bands suggest that excitons formed in a cyclic oligothiophene composed of six subunits fully delocalize over the cyclic carbon backbone, whereas those formed in larger systems fail to achieve complete delocalization. With the aid of molecular dynamics simulations, it is shown that distorted structures unfavorable for efficient exciton delocalization are more easily populated as the size of the cyclic system increases.

Chemical Mechanical Planarization

Ring size

10.1002/anie.201504588

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Citations (34)

Controlling Rotational Molecular Rotor by Selection of Anchoring Sites

Bulletin of the American Physical Society (2011)

Hyo Won Kim Minwoo Han Hyung‐Joon Shin Shuang Fang Lim Y. Oh

Anchoring

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