• Bulletin of the Korean Chemical Society
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• v.30 no.11
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• pp.2739-2748
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• 2009

Hologram and three dimensional quantitative structure activity relationship (3D QSAR) studies for a series of anilinobipyridine JNK3 inhibitors were performed using various alignment-based comparative molecular field analysis (COMFA) and comparative molecular similarity indices analysis (CoMSIA). The in vitro JNK3 inhibitory activity exhibited a strong correlation with steric and electrostatic factors of the molecules. Using four different types of alignments, the best model was selected based on the statistical significance of CoMFA ($q_2\;=\;0.728,\;r_2\;=\;0.865$), CoMSIA ($q_2\;=\;0.706,\;r_2\;=\;0.960$) and Hologram QSAR (HQSAR: $q_2\;=\;0.838,\;r_2\;=\;0.935$). The graphical analysis of produced CoMFA and CoMSIA contour maps in the active site indicated that steric and electrostatic interactions with key residues are crucial for potency and selectivity of JNK3 inhibitors. The HQSAR analysis showed a similar qualitative conclusion. We believe these findings could be utilized for further development of more potent and selective JNK3 inhibitors.

• Proceedings of the Membrane Society of Korea Conference
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• 1999.07a
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• pp.15-18
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• 1999

A simple mathematical model for facilitated mass transport through a fixed site carrier membrane was derived by assuming an instantaneous, microscopic concentration (activity) fluctuation. The current model demonstrates that the facilitation factor depends on the extent of concentration fluctuation, the time scale ratios of diffusion to chemical reaction and the ratio of the carrier concentration to the solute solubility in matrix. The model was examined against the experimental data on oxygen transport in membranes containing metallo-porphyrin carriers, and the agreement was exceptional (within 10% error). The basic concept of this approach was applied to separate olefin from olefin/paraffin mixtures. A proprietaty carrier, developed here, resulted that the selectivity of propylene over propane was more than 120 and the propylene permeance exceed 40 gpu.

• Korean Journal of Soil Science and Fertilizer
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• v.42 no.6
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• pp.513-521
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• 2009

The primary goal of this research was to develop an optimized analytical procedure for soil analysis based on ion-selective microelectrodes for agricultural purposes, which can perform on-site measurement of various ions in soil easily and rapidly. For the simple and rapid on-site diagnosis, an analysis of soil chemicals was performed employing a multicomponent-in-situ-extractant and an evaluation of ionselective microelectrodes were conducted through the regressive correlation method with a standard analytical approach widely employed in this area. Examination of sensor responses between various soil nutrient extractants revealed that 0.01M HCl and 1M LiCl provided the most ideal Nernstian response. However, 1M LiCl deteriorated the selective response for analytes due to high concentration (1M) of lithium cation. Thus, employing either 0.1M HCl as an extractant followed by 10 times dilution, or 0.01M HCl as an extractant without further dilution was chosen as the optimal extractant composition. A study of regressive correlation between results from ion-selective microelectrodes and those from the standard analytical procedure showed that analyses of $K^+$, $Na^+$, $Ca^{2+}$, and $NO_3{^-}$ showed the excellent consistency between two methods. However, the response for $NH_4{^+}$ suffered the severe interference from $K^+$. In addition, the selectivity for $Mg^{2+}$ over $Ca^{2+}$ was not sufficient enough since available ionophores developed so far do not provide such a high selectivity for $Mg^{2+}$. Therefore, as an agricultural on-site diagnostic instrument, the device in development requires further research on $NH_4{^+}$ analysis in the soil sample, development of $Mg^{2+}$-selective ionophore, and more detailed study focused on potassium, one of the most important plant nutrients.

• Applied Chemistry for Engineering
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• v.26 no.2
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• pp.217-223
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• 2015

Effects of the post-acid treatment of SAPO-34 sample by hydrochloric acid were investigated to enhance the catalytic performance in DTO reaction. Uniformly sized SAPO-34 samples with cubic-like morphology were prepared by hydrothermal method using TEAOH and DEA as the structure directing agents. It was modified in terms of the HCl concentration and treating time. As a result, the total surface area and micropore volume for the well modified samples increased and the total acid site was somewhat decreased along with the erosion of the external surface. Especially, the catalytic lifetime and light olefins selectivity for acid treated SAPO-0.2 M (3 h) samples were considerably enhanced compared with those of untreated SAPO-34 samples. It indicates that the deactivation by coke formation proceeds mainly at the pore entrance on the external surface. Therefore, the acid treatment was confirmed to be a simple method which can significantly improve the catalytic performance by modifying the external surface of SAPO-34 catalyst.

• The Korean Journal of Pesticide Science
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• v.5 no.3
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• pp.1-11
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• 2001

New technologies will have a large impact on the discovery of new herbicide site of action. Genomics, combinatorial chemistry, and bioinformatics help take advantage of serendipity through tile sequencing of huge numbers of genes or the synthesis of large numbers of chemical compounds. There are approximately $10^{30}\;to\;10^{50}$ possible molecules in molecular space of which only a fraction have been synthesized. Combining this potential with having access to 50,000 plant genes in the future elevates tile probability of discovering flew herbicidal site of actions. If 0.1, 1.0 or 10% of total genes in a typical plant are valid for herbicide target, a plant with 50,000 genes would provide about 50, 500, and 5,000 targets, respectively. However, only 11 herbicide targets have been identified and commercialized. The successful design of novel herbicides depends on careful consideration of a number of factors including target enzyme selections and validations, inhibitor designs, and the metabolic fates. Biochemical information can be used to identify enzymes which produce lethal phenotypes. The identification of a lethal target site is an important step to this approach. An examination of the characteristics of known targets provides of crucial insight as to the definition of a lethal target. Recently, antisense RNA suppression of an enzyme translation has been used to determine the genes required for toxicity and offers a strategy for identifying lethal target sites. After the identification of a lethal target, detailed knowledge such as the enzyme kinetics and the protein structure may be used to design potent inhibitors. Various types of inhibitors may be designed for a given enzyme. Strategies for the selection of new enzyme targets giving the desired physiological response upon partial inhibition include identification of chemical leads, lethal mutants and the use of antisense technology. Enzyme inhibitors having agrochemical utility can be categorized into six major groups: ground-state analogues, group specific reagents, affinity labels, suicide substrates, reaction intermediate analogues, and extraneous site inhibitors. In this review, examples of each category, and their advantages and disadvantages, will be discussed. The target identification and construction of a potent inhibitor, in itself, may not lead to develop an effective herbicide. The desired in vivo activity, uptake and translocation, and metabolism of the inhibitor should be studied in detail to assess the full potential of the target. Strategies for delivery of the compound to the target enzyme and avoidance of premature detoxification may include a proherbicidal approach, especially when inhibitors are highly charged or when selective detoxification or activation can be exploited. Utilization of differences in detoxification or activation between weeds and crops may lead to enhance selectivity. Without a full appreciation of each of these facets of herbicide design, the chances for success with the target or enzyme-driven approach are reduced.

• Clean Technology
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• v.24 no.1
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• pp.41-49
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• 2018

Y zeolites with different extra-framework cations, such as $Na^+$, $N^+$, $Ca^{2+}$, and $Cu^{2+}$, with different charge and ionic radius have been investigated to greatly enhance a working capacity (W) of $CO_2$ adsorption at $25^{\circ}C$ and a $CO_2/CO$ selectivity factor (S). A sample of NaY with a very small amount of 0.012% $Ca^{2+}$ was fully reversible for seven times repeated $CO_2$ adsorption/desorption cycles, thereby forming no surface carbonates unlikely earlier reports. Although at pressures above 4 bar, 2.00% CaY, 1.60% CuY and 1.87% LiY all showed a $CO_2$ adsorption very similar to that measured for NaY, they gave a significant decrease in the adsorption at lower pressures, depending on the metal ion. At 0.5 ~ 2.5 bar, the extent of $CO_2$ adsorption was in the order NaY > 1.60% CuY > 2.00% CaY > 1.87% LiY. All the $Na^+-based$ metals-exchanged zeolites have a FAU (faujasite) framework and a Si/Al value near 2.6; thus, there is no discernible difference in the framework topology, framework chemical compositions, effective aperture size, and channel structure between the zeolite samples. Therefore, the distinctive behavior in the adsorption of $CO_2$ with a character as a weak Lewis acid is associated with the site basicity of the zeolites, and the interaction potentials of the cations. Different trend was shown for a CO adsorption due to weaker quadrupole interactions. Adsorption of $CO_2$ and CO on samples of CaY with 0.012 to 5.23% Ca disclosed a significant dependence on the Ca loading. The $CO_2$ adsorption increased when the cation exists up to ca. 0.05%, while it decreased at higher Ca amounts. However, values for both W and S could greatly increase as the bare zeolite is enriched by $Ca^{2+}$ ions. The 5.23% CaY had $W=2.37mmol\;g^{-1}$ and S = 4.37, and the former value was comparable to a benchmark reported in the literature.

• Korean Journal of Materials Research
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• v.12 no.11
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• pp.860-864
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• 2002

$Li^{+}$ extraction reactions with ion-exchange type lithium manganese oxide in an aqueous phase were examined using chemical and x-ray diffraction (XRD) analysis. In the process of extraction reaction, the lithium manganese oxide showed a topotactic extraction of $Li^{+ }$ in the aqueous phase mainly through an ion-exchange mechanism, and the $Li^{+}$ extracted samples indicated a high selectivity and a large capacity for $Li^{+}$ . The electronic structures and chemical bonding properties were also studied using a discrete variational (DV)-X$\alpha$ molecular orbital method with cluster model of (Li$Mn_{12}$ $O_{40}$ )$^{27-}$ for tetrahedral sites and ($Li_{7}$ Mn $O_{38}$ )$^{3}$ for octahedral site in $Li_{1.33}$ $Mn_{1.67}$ / $O_{4}$ respectively. Li in the manganese oxides is highly ionized in both sites, but the net charge of Li was greater for tetrahedral sites than octahedral. These calculations suggest that the tetrahedral sites have higher $Li^{+}$ $H^{+}$ exchangeability than the octahedral sites, and are preferable for the selective adsorption for L $i^{+}$ ions.s.

• Korean journal of applied entomology
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• v.22 no.2 s.55
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• pp.147-159
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• 1983

In general, herbicides have been classified according to selectivity, mobility. time of application, methods of application, mode of action and chemical property and structure. However, there was no generally accepted classification system for practical use in the field. The primary processes affected by the majority of herbicides are the growth process through cell elongation and/or cell division, the photosynthetic process specifically the light reaction, the oxidative phosphorylation and the integrity of the membrane systems. The usual approach in the study of the mechanism by which herbicides kill or inhibit the growth of plants is to initially determine the morphological phototoxicity systems, The mechanism by which a herbicide kills a plant or suppresses its development is actually the resultant effect of primary and secondary(or side) effects. In most instances, the death of the plant is due to the secondary effects. To induce the desired response, a herbicide must be able to gain entry into the plants and once inside, to be transported within the plant to its site(s) of activity in concentrations great enough. Obstacles to the entry and movement of herbicides in plants are generally classified by leaf and soil obstacles, translocation obstacles and biochemical obstacles, and these obstacles are also strongly influenced by plant species and by environmental factors such as light, temperature, rainfall and relative humidity. And hence, in most instances, results obtained from laboratory or greenhous vary from those of field experiment. Author attempted to classify herbicides from the field experiment using the two-dimensional ordination analysis to obtain practical information for selecting effective herbicides or to choose effective herbicide combinations for increasing herbicidal efficacy or reducing the chemical cost. Based on this two-dimensional diagram, desired herbicides or combinations were selected and further investigated for the interaction effects whether these combinations are synergistic, additive or antagonistic. From the results, it was concluded that these new approach could possibly be give more comprehensive informations about effective use of herbicide than any other systems.

• KSBB Journal
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• v.25 no.3
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• pp.215-222
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• 2010

Monogenic diseases are resulted from modifications in a single gene of human cells. Because their treatment with pharmacological medicine have a temporary effect, continuous nursing care and retreatment are required. Gene therapy, gene targeting and induced pluripotent stem cell (iPSC) are considered permanent treatment methods of them. In gene therapy, however, retroviral vectors that have potential toxicity caused by random insertion of harmful virus are used as vehicles for transferring genetic materials. On the other hand, gene targeting could replace and remove the modified gene though homologous recombination (HR) induced by site-specific endonucleases. This short review provides a brief overview on the recently tailored endonucleses with high selectivity for HR.

• Journal of Environmental Science International
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• v.20 no.10
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• pp.1337-1345
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• 2011

The removal performances of divalent heavy metal ions ($Pb^{2+}$, $Cu^{2+}$, $Cd^{2+}$, $Sr^{2+}$ and $Mn^{2+}$) were studied using the Na-P1 zeolite synthesized from Jeju scoria in the batch and continuous fixed column reactor. The uptakes of heavy metal ions by synthetic Na-P1 zeolite decreased in the order of $Pb^{2+}$ > $Cu2^{2+}$ > $Cd^{2+}$ > $Sr^{2+}$ > $Mn^{2+}$ based on the selectivity of each ion to ionic exchange site of Na-P1 zeolite for single and mixed solutions in batch or continuous fixed column reactor. For mixed solution, each heavy metal ion uptake was lower than that in single solution, and especially the uptake for $Mn^{2+}$ decreased greatly. In batch reactor, the uptakes of heavy metal ions by synthetic Na-P1 zeolite were described by Freundlich or Langmuir equation, but they followed the former better than the latter. In continuous fixed column reactor, the maximum ion exchange capacity obtained for each of heavy metal ions, was about 90----- of that in batch reactor. The uptakes of heavy metal ions by synthetic Na-P1 zeolite increased with the increase of initial heavy metal concentration and solution pH, and the decrease of the amount and particle size of synthetic zeolite.