• Journal of the Korean Chemical Society
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• v.25 no.1
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• pp.7-12
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• 1981

Solvolysis of $p-CH_3, p-H, p-Cl and p-NO_2$-benzenesulfonyl chlorides have heen studied in MeOH-MeCN mixtures. A nonlinear Hammett plot with a ratio order of p-NO_2 > p-CH_3 > p-H > p-Cl was obtained; the reaction was thought to proceed by an S_N1-S_N2 borderline mechanism. In all cases the reactivity was a maximum at 90∼95%(v) methanol, whereas methanol monomer selectivity defined as fi = \frac{k1}{ki}i (k1; observed pseudo-first order rate constant: ki; hypothetical rate constant for MeOH solution having the same polymer structure as in the pure MeOH) was a maximum at 80% methanol with a decreasing order of fi as p-NO_2 > p-Cl > p-H > p-CH_3.$ This was interpreted as the decrease in tightness of transition state; the larger the fi, the tighter is the MeOH attached to the substrate, and hence the more susceptible the substrate becomes to the approaching monomer methanol.

• Bulletin of the Korean Chemical Society
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• v.23 no.6
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• pp.837-845
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• 2002

Based on ab initio calculations at the MP2(FULL)/6-31+G**//RHF/6-31G** level, we compare the energetic and mechanistic features of a model reaction for catalytic action of Δ?-3-ketosteroid isomerase (KSL,E.C.5.3,3.1) with those of a corresponding nonenzymatic reaction in aqueous solution. The results show that the two catalytic acid residues,Tyr14 and Asp99, can lower the free energy of activation by 8.6kcal/mol, which is in good agreement with the experimentally predicted~9 kcal/mol,contribution of electrophilic catalyses to the whole enzymatic rate enhancement. The dienolate intermediate formed by proton transfer from the substrate carbon acid to the catalytic base residue (Asp38) ins predicted to be stabilized by 12.0 kcal/mol in the enzymatic reaction, making its formation thermodynamically favorable. It has been argued that enzymes catalyzing the reactions of carbon acids should resolve the thermodynamic problem of stabilizing the enolate intermediate as well as the kinetic porblem of lowering the free energy of activation for porton abstraction. We find that KSI can successfully overcome the thermodynamic difficulty ingerent in the nonenzymatic reaction through the electrophilic catalyses of the two acid residues. Owing to the stabilization of dienolate intermediate, the reketonization step could influence the overall reaction rate more significantly in the KSI- catalyzed reaction than in the nonenzymatic reaction, further supporting the previous experimental findings. However, the electrophilic catalyses alone cannot account for the whole catalygic capability (12-13 kcal/mol), confiming the earlier experimental implications for the invement of additional catalytic components. The present computational study indicates clearly how catalytic residues of KSI resolve the fundamental problems associated with the entropic penalty for forming the rate-limiting transition state and its destabilization in the bulk solvation environment.

• Bulletin of the Korean Chemical Society
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• v.29 no.2
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• pp.438-444
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• 2008

A self-assembled monolayer of 2,2'-bipyridine (22BPY) molecules on Au(111) underwent a structural phase transition when the polarity of a bias voltage was switched in scanning tunneling microscopy (STM) experiments. The nature of two bright spots representing each 22BPY molecule on Au(111) in the high-resolution STM images was identified by calculating the partial density plots for a monolayer of 22BPY molecules adsorbed on Au(111) using tight-binding electronic structure calculations. The stacking pattern of the chains of 22BPY molecules on Au(111) was explained by examining the intermolecular interactions between the 22BPY molecules based on first principles electronic structure calculations for a 22BPY dimer, (22BPY)2. The structural instability of the 22BPY molecule arrangement caused by a change in the bias voltage switch was investigated by estimating the adsorbate-surface interaction energy using a point-charge approximation for Au(111).

• Korean Journal of Microbiology
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• v.46 no.2
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• pp.113-121
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• 2010

Bacillus subtilis PhoP-PhoR two-component system (TCS) senses phosphate deficiency conditions, and then controls expression of the Pho regulon to prolong survival. The sensor histidine kinase, PhoR, is autophosphorylated and transfers the phosphate to the response regulator, PhoP. Phosphorylated PhoP (PhoP~P) binds to repeated 6-bp consensus PhoP binding sequences of Pho regulon promoters and activates or represses gene expression. Pho signal transduction systems are part of interconnected signal transduction network involving at least three TCSs (PhoP-PhoR, ResD-ResE TCS, SpoOA phosphorelay), a global carbon metabolism regulator (CcpA), and transition state regulators (AbrB, ScoC). In addition, PhoP-PhoR TCS is cross related with YycF-YycG TCS by cross-regulation. While indescribable progress has been made in understanding phosphate deficiency stress response through refined expression of the Pho regulon in the recent past years, many important questions still remain. Solving these questions may provide important information for application study using B. subtilis.

• Korean Journal of Materials Research
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• v.23 no.2
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• pp.104-111
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• 2013

In this study, GaN powders were synthesized from gallium oxide-hydroxide (GaOOH) through an ammonification process in an $NH_3$ flow with the variation of $B_2O_3$ additives within a temperature range of $300-1050^{\circ}C$. The additive effect of $B_2O_3$ on the hexagonal phase GaN powder synthesis route was examined by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Fourier transformation infrared transmission (FTIR) spectroscopy. With increasing the mol% of $B_2O_3$ additive in the GaOOH precursor powder, the transition temperature and the activation energy for GaN powder formation increased while the GaN synthesis limit-time ($t_c$) shortened. The XPS results showed that Boron compounds of $B_2O_3$ and BN coexisted in the synthesized GaN powders. From the FTIR spectra, we were able to confirm that the GaN powder consisted of an amorphous or cubic phase $B_2O_3$ due to bond formation between B and O and the amorphous phase BN due to B-N bonds. The GaN powder synthesized from GaOOH and $B_2O_3$ mixed powder by an ammonification route through ${\beta}-Ga_2O_3$ intermediate state. During the ammonification process, boron compounds of $B_2O_3$ and BN coated ${\beta}-Ga_2O_3$ and GaN particles limited further nitridation processes.

• Polymer(Korea)
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• v.39 no.2
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• pp.247-255
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• 2015

Poly(1,2-propylene glycol adipate) (PPA) was used as an environmentally friendly plasticizer in flexible poly(vinyl chloride) (PVC). Thermal, mechanical, and rheological properties of the PVC/PPA blends were characterized by differential scanning calorimetry, dynamic mechanical analysis, tensile test, scanning electron microscopy and small amplitude oscillatory shear rheometry. The results showed that PPA lowered the glass transition temperature of PVC. The introduction of PPA could decrease tensile strength and Young's modulus of the PVC/PPA blends; however, elongation-at-break was dramatically increased due to the plastic deformation. The plasticization effect of PPA was also manifested by the decrease of dynamic storage modulus and viscosity in the melt state of the blends. The results indicated that PPA had a good plasticizing effect on PVC.

• Journal of the Korea Society of Computer and Information
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• v.13 no.3
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• pp.147-152
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• 2008

Ant System(AS) is new meta heuristic for hard combinatorial optimization problem. It is a population based approach that uses exploitation of positive feedback as well as greedy search. It was first proposed for tackling the well known Traveling Salesman Problem. In this paper, AS is applied to the Multicast Routing Problem. Multicast Routing is modeled as the NP-complete Steiner tree problem. This is the shortest path from source node to all destination nodes. We proposed new AS to resolve this problem. The proposed method selects the neighborhood node to consider all costs of the edge and the next node in state transition rule. Also, The edges which are selected elite agents are updated to additional pheromone. Simulation results of our proposed method show fast convergence and give lower total cost than original AS and $AS_{elite}$.

• Journal of Welding and Joining
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• v.31 no.2
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• pp.16-20
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• 2013

Titanium and its alloys have been widely using in the various field of industry application due to high corrosion resistant properties and mechanical properties. Titanium is highly reactive in the high temperature state and the formation of titanium oxide and porosities in the nuggets of fusion welding will results in the degradation of the mechanical properties. For this reason the studies of friction stir welding for titanium have been investigated recently. The FSW zones of titanium were classified by the weld nugget (WN), the linear transition boundary (TB) and the heat affected zone (HAZ). The WN along with titanium parent was characterized by the presence of twins and dislocations. The average grain size and hardness of WN has been changed according to heat input. The grain refinement resulted from the FSW increased the hardness in the stir zone. Sound dissimilar joints between SUS 304 and CP-Ti were achieved using an advancing speed of 50 mm/min and rotation speeds in the range of 700-1100 rpm. Aluminum 1060 and titanium alloy Ti-6Al-4V plates were lap joined by friction stir welding, hence the ultimate tensile shear strength of joint reached 100% of Al 1060. Mg alloy and Ti were successfully butt joined by inserting a probe into the Mg alloy plate with slightly offsetting. But Ti-Al intermetallic compound layers formed at the interface of these joints.

• Journal of Microbiology
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• v.45 no.5
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• pp.418-421
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• 2007

The nucleotide at position 791(G791) of E. coli 16S rRNA was previously identified as an invariant residue for ribosomal function. In order to characterize the functional role of G791, base substitutions were introduced at this position, and mutant ribosomes were analyzed with regard to their protein synthesis ability, via the use of a specialized ribosome system. These ribosomal RNA mutations attenuated the ability of ribosomes to conduct protein synthesis by more than 65%. A transition mutation (G to A) exerted a moderate effect on ribosomal function, whereas a transversion mutation (G to C or U) resulted in a loss of protein synthesis ability of more than 90%. The sucrose gradient profiles of ribosomes and primer extension analysis showed that the loss of protein-synthesis ability of mutant ribosomes harboring a base substitution from G to U at position 791 stems partially from its inability to form 70S ribosomes. These findings show the involvement of the nucleotide at position 791 in the association of ribosomal subunits and protein synthesis steps after 70S formation, as well as the possibility of using 16S rRNA mutated at position 791 for the selection of second-site revertants in order to identify ligands that interact with G791 in protein synthesis.

• Journal of Microbiology and Biotechnology
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• v.22 no.6
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• pp.806-813
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• 2012

Adipocyte differentiation is strongly associated with obesity, which causes metabolic disorders. In this study, we investigated the inhibitory effects of widdrol on 3T3-L1 preadipocyte growth and differentiation. Widdrol decreased lipid droplet accumulation and down-regulated adipogenic transcription factors such as C/$EBP{\alpha}$, C/$EBP{\beta}$, and $PPAR{\gamma}$. Widdrol blocked preadipocyte proliferation and differentiation through the inhibition of mitotic clonal expansion, which was accompanied by the failure of degradation of p21, a cyclin-dependent kinase inhibitor. Cell-cycle analysis clearly indicated that widdrol actively induces cell-cycle arrest at the G1-S phage transition, causing cells to remain in the preadipocyte state. Moreover, widdrol increased p21 expression and inhibited Rb phosphorylation in preadipocyte incubated in a hormone medium. Therefore, these findings clearly suggest that widdrol blocks preadipocyte growth and differentiation through the inhibition of mitotic clonal expansion by p21-and Rb-dependent G1 arrest and can be developed as a potent anti-adipogenic agent for reducing obesity.