• Applied Chemistry for Engineering
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• v.33 no.3
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• pp.322-327
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• 2022

Fucoidans were degraded by hydrogen peroxide under the electron beam (2.5 MeV) with various radiation doses (5 kGy, 10 kGy, 15 kGy, and 20 kGy) at room temperature. The degradation property was analyzed with a gel permeation chromatography (GPC-MALLS) method. An average molecular weight of fucoidan decreased from 99,956 at the irradiation dose of 0 kGy to 6,725 at the irradiation dose of 20 kGy. The solution viscosity of fucoidans showed a similar pattern to the molecular weight change. The number of chain breaks per molecule (N) increased with increasing the irradiation dose and concentration of hydrogen peroxide. The radiation yield of scission value markedly increased with increasing the irradiation dose up to 15 kGy. Also a 10% hydrogen peroxide concentration was more efficient than that of 5%. The structures of degraded fucoidan samples were studied with Fourier transform infrared spectroscopy (FT-IR). The results showed that the degradation process did not significantly change the chemical structure or the content of sulfate group. The sulfur content of each sample was determined with an Elemental Analyzer. With increasing the concentration of hydrogen peroxide, the ratios of sulfur/carbon, hydrogen/carbon, and nitrogen/carbon slightly decreased. The antioxidant activities of fucoidans were investigated based on hydroxyl radical scavenging activities. The ability of fucoidan to inhibit the hydroxyl radical scavenging activity was depended on its molecular weight.

• The Bulletin of The Korean Astronomical Society
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• v.45 no.1
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• pp.64.1-64.1
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• 2020

Galaxy groups are the place where many galaxies feel the impact of the surroundings (e.g., merging, tidal interaction, ram pressure stripping) before joining bigger structures like (sub)clusters. A significant fraction of galaxies is quenched in the group environment. Such "pre-processing" of galaxies in groups is likely to affect galaxy evolution tremendously. To better understand how environmental processes in galaxy groups affect molecular gas, star formation activity, and galaxy evolution, we carried out CO imaging observations of group galaxies, using the Atacama Compact Array (ALMA/ACA). We selected all the targets that have been detected in the GEMS-HI survey for two groups, making the sample of 40 galaxies (18 galaxies in IC 1459 group and 22 galaxies in NGC 4636 group). Our ALMA/ACA observation is the first CO imaging survey for two groups. In this work, we present CO images of group galaxies, together with their star formation maps and HI images. Our ACA CO data show the asymmetric distribution of molecular gas in some of our samples. We discuss the impact of the group environment on molecular gas and star formation activity.

• BMB Reports
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• v.57 no.2
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• pp.86-91
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• 2024

The fatty acids content of castor (Ricinus communis L.) seed oil is 80-90% ricinoleic acid, which is a hydroxy fatty acid (HFA). The structures and functional groups of HFAs are different from those of common fatty acids and are useful for various industrial applications. However, castor seeds contain the toxin ricin and an allergenic protein, which limit their cultivation. Accordingly, many researchers are conducting studies to enhance the production of HFAs in Arabidopsis thaliana, a model plant for oil crops. Oleate 12-hydroxylase from castor (RcFAH12), which synthesizes HFA (18:1-OH), was transformed into an Arabidopsis fae1 mutant, resulting in the CL37 line producing a maximum of 17% HFA content. In addition, castor phospholipid:diacylglycerol acyltransferase 1-2 (RcPDAT1-2), which catalyzes the production of triacylglycerol by transferring HFA from phosphatidylcholine to diacylglycerol, was transformed into the CL37 line to develop a P327 line that produces 25% HFA. In this study, we investigated changes in HFA content when endogenous Arabidopsis PDAT1 (AtPDAT1) of the P327 line was edited using the CRISPR/Cas9 technique. The successful mutation resulted in three independent lines with different mutation patterns, which were transmitted until the T4 generation. Fatty acid analysis of the seeds showed that HFA content decreased in all three mutant lines. These findings indicate that AtPDAT1 as well as RcPDAT1-2 in the P327 line are involved in transferring and increasing HFAs to triacylglycerol.

• Korean Journal of Radiology
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• v.25 no.1
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• pp.86-102
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• 2024

Early diagnosis, accurate assessment, and localization of peritoneal metastasis (PM) are essential for the selection of appropriate treatments and surgical guidance. However, available imaging modalities (computed tomography [CT], conventional magnetic resonance imaging [MRI], and 18fluorodeoxyglucose positron emission tomography [PET]/CT) have limitations. The advent of new imaging techniques and novel molecular imaging agents have revealed molecular processes in the tumor microenvironment as an application for the early diagnosis and assessment of PM as well as real-time guided surgical resection, which has changed clinical management. In contrast to clinical imaging, which is purely qualitative and subjective for interpreting macroscopic structures, radiomics and artificial intelligence (AI) capitalize on high-dimensional numerical data from images that may reflect tumor pathophysiology. A predictive model can be used to predict the occurrence, recurrence, and prognosis of PM, thereby avoiding unnecessary exploratory surgeries. This review summarizes the role and status of different imaging techniques, especially new imaging strategies such as spectral photon-counting CT, fibroblast activation protein inhibitor (FAPI) PET/CT, near-infrared fluorescence imaging, and PET/MRI, for early diagnosis, assessment of surgical indications, and recurrence monitoring in patients with PM. The clinical applications, limitations, and solutions for fluorescence imaging, radiomics, and AI are also discussed.

• Bulletin of the Korean Chemical Society
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• v.35 no.5
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• pp.1479-1484
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• 2014

Based on the full optimized molecular geometric structures at B3LYP/cc-pvtz method, a new designed compound, 4,6,8-trinitro-4,5,7,8-tetrahydro-6H-furazano[3,4-f ]-1,3,5-triazepine was investigated in order to look for high energy density compounds (HEDCs). The analysis of the molecular structure indicates that the seven-membered ring adopts chair conformation and there exist intramolecular hydrogen bond interactions. IR spectrum and heat of formation (HOF) were predicted. The detonation velocity and pressure were evaluated by using Kamlet-Jacobs equations based on the theoretical density and condensed HOF. The bond dissociation energies and bond orders for the weakest bonds were analyzed to investigate the thermal stability of the title compound. The results show that $N_1-N_6$ bond is the trigger bond. The crystal structure obtained by molecular mechanics belongs to $Pna2_1$ space group, with lattice parameters Z = 4, a = 15.3023 ${\AA}$, b = 5.7882 ${\AA}$, c = 11.0471 ${\AA}$, ${\rho}=2.06gcm^{-3}$. In addition, the analysis of frontier molecular orbital shows the title compound has good stability and high chemical hardness.

• BMB Reports
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• v.32 no.5
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• pp.461-467
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• 1999

Recombinant Mycobacterium smegmatis expressing ovalbumin was used to immunize C57BL/6(H-$2^b$) mice, and the humoral immunity against recombinant ovalbumin was analyzed. Antibodies were purified by denatured ovalbumin-conjugated affinity chromatography. The epitopes of the antibodies were screened with a random peptide library displayed on the tip of fUSE5 filamentous phage pIII minor coat proteins. Two peptides, IRLADR and SPGAEV, were selected predominantly by the recognition of purified antibodies using biopanning methods. The composition of the peptide sequence with the primary structure of OVA revealed that the peptide sequence analogizes to INEAGR, part of the $^{323}ISQAVHAAHAEINEAGR^{339}$ sequence previously reported as the antigenic determinant for murine Band also Th cell epitopes (I-$A^d$ binding). Also, the structures of these mimotopes obtained from restrained molecular dynamic computations resulted in the formation of a $\beta$-turn proven to be a secondary structure of the parent peptide within the ovalbumin molecule, enabling us to confirm the structural similarity. This study demonstrates that immunization with recombinant M. smegmatis can generate neutralizing antibodies identical with those induced by the administration of natural antigenic proteins and supports the potential use of mycobacteria as vaccine delivery vehicles.

• Journal of the Korean Chemical Society
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• v.40 no.1
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• pp.1-10
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• 1996

Gibbs' adsorption isotherms are studied to assay the structural effects of ethylene oxide (EO) and propylene oxide (PO) moieties on the molecular area and the interfacial tension behavior of molecules at the interface. Several industrial alcohols and isomerically pure alcohols, which have a general stucture of C4H9O(EO)m(PO)nH, are examined for their cosurfactant properties. They are high molecular weight alcohols and more surface active than the cosurfactants usually used. Results show that the number and the sequence of EO and PO units significantly affect the molecular areas and the interfacial tension (IFT) behavior of these molecules at the water/oil interface. The following conclusions are drawn from the result: 1) PO is more efficient in lowering the IFT and less effective in adsorption than EO. 2) For molecules having the same molecular weight but different structures, smaller molecules are more efficient in lowering the IFT. 3) When more EO, PO, or both units are added to the same hydrophobe, the molecule become bigger and more efficient in lowering the IFT.

• BMB Reports
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• v.34 no.4
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• pp.355-364
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• 2001

Major human Nucleoside diphosphate kinases (NDPKs) exist as hetero-oligomers, consisting of NDPK-A and NDPK-B, rather than homo-oligomer. To investigate their biological function depending on the oligomeric structure in vivo, we characterized the biochemical properties of cellular NDPK. Cellular NDPKs, which are made up of a unique combination of isoforms, were purified from human erythrocyte and placenta. We found that cellular NDPK and recombinant isoforms NDPKs have their own distinct biochemical properties in autophosphorylation, stability toward heat or urea, and DNA binding. Cellular NDPK was found to have unique characteristics rather than the expected additive properties of recombinant isoforms. The mutations in the dimeric interface of NDPK-B (R34G, N69H or K135L) caused defective DNA binding and simultaneously reduced the enzymatic stability These results suggest that the oligomeric interaction could play a major role in the stability of catalytic domain and might be related to the regulation of various cellular functions of NDPK.

• Membrane Journal
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• v.26 no.5
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• pp.329-336
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• 2016

Proton exchange membrane (PEM) is one of the key components of membrane-electrode assembly (MEA), which plays important role in fuel cell performance together with catalysts. It is widely accepted that water channel morphology inside PEMs as a proton pathway significantly affects the PEM performance. Molecular dynamics (MD) simulations are a very useful tool to understand molecular and atomic structures of materials, so that many related researches are currently being studied. In this paper, we summarize the current research trend in MD simulations, present which properties can be characterized, and finally introduce the usefulness of MD simulations to the researchers for proton exchange membranes.

• Steel and Composite Structures
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• v.34 no.2
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• pp.261-277
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• 2020

The main objective of this research paper is to consider vibration analysis of vacancy defected graphene sheet as a nonisotropic structure via molecular dynamic and continuum approaches. The influence of structural defects on the vibration of graphene sheets is considered by applying the mechanical properties of defected graphene sheets. Molecular dynamic simulations have been performed to estimate the mechanical properties of graphene as a nonisotropic structure with single- and double- vacancy defects using open source well-known software i.e., large-scale atomic/molecular massively parallel simulator (LAMMPS). The interactions between the carbon atoms are modelled using Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential. An isogeometric analysis (IGA) based upon non-uniform rational B-spline (NURBS) is employed for approximation of single-layered graphene sheets deflection field and the governing equations are derived using nonlocal elasticity theory. The dependence of small-scale effects, chirality and different defect types on vibrational characteristic of graphene sheets is investigated in this comprehensive research work. In addition, numerical results are validated and compared with those achieved using other analysis, where an excellent agreement is found. The interesting results indicate that increasing the number of missing atoms can lead to decrease the natural frequencies of graphene sheets. It is seen that the degree of the detrimental effects differ with defect type. The Young's and shear modulus of the graphene with SV defects are much smaller than graphene with DV defects. It is also observed that Single Vacancy (SV) clusters cause more reduction in the natural frequencies of SLGS than Double Vacancy (DV) clusters. The effectiveness and the accuracy of the present IGA approach have been demonstrated and it is shown that the IGA is efficient, robust and accurate in terms of nanoplate problems.