• Title/Summary/Keyword: Basic state

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ON TL-FINITE STATE MACHINES

  • Kim, Jae-Gyeom;Cho, Sung-Jin
    • Proceedings of the Korean Institute of Intelligent Systems Conference
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    • 1995.10b
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    • pp.78-81
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    • 1995
  • In this paper we introduce the notions of a TL-finite state machine, TL-retrievability, TL-separability, TL-connectivity and discuss their basic properties.

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Partially Folded States of Mutant Ubiquitin in Mild Denaturing Conditions

  • Park, Soon-Ho
    • Bulletin of the Korean Chemical Society
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    • v.30 no.7
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    • pp.1567-1572
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    • 2009
  • Conformational change of ubiquitin variant with valine to alanine mutation at sequence position 26 was studied by varying solvent pH. Fluorescence emission spectra indicated that this variant ubiquitin has some residual structures in acidic and basic solution as compared to denaturant-induced unfolded state. Far-UV circular dichroic spectra indicated that the base-denatured state had more secondary structure than the acid-denatured state. Near-UV circular dichroic spectra indicated that the aromatic side-chains were in the relatively more rigid environment in the base-denatured state than those in the acid-denatured state. Although it appears that the more tertiary structure present in the base-denatured state, refolding reactions measured by stopped-flow fluorescence device suggest that both the acid- and base-denatured states occur before the major folding transition state. The acid- and base-denatured states are considered to reflect the early event of protein folding process.

Kinetics and Mechanism of the Anilinolysis of Dibutyl Chlorophosphate in Acetonitrile

  • Hoque, Md. Ehtesham Ul;Lee, Hai-Whang
    • Bulletin of the Korean Chemical Society
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    • v.33 no.2
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    • pp.663-669
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    • 2012
  • The nucleophilic substitution reactions of dibutyl chlorophosphate (3) with substituted anilines ($XC_6H_4NH_2$) and deuterated anilines ($XC_6H_4ND_2$) are investigated kinetically in acetonitrile at $55.0^{\circ}C$. The obtained deuterium kinetic isotope effects (DKIEs; kH/kD) are secondary inverse ($k_H/k_D$ = 0.86-0.97) with the strongly basic anilines while primary normal ($k_H/k_D$ = 1.04-1.10) with the weakly basic anilines. The DKIEs, steric effects of the two ligands, activation parameters, cross-interaction constants, variation trends of the kH/kD values with X, and mechanism are discussed for the anilinolyses of the nine ($R_1O$)($R_2O$)P(=O)Cl-type chlorophosphates. A concerted mechanism is proposed with a backside nucleophilic attack transition state for the strongly basic anilines and with a frontside attack involving a hydrogen-bonded four-center-type transition state for the weakly basic anilines on the basis of the magnitudes, secondary inverse and primary normal, and variation trends of the $k_H/k_D$ values with X.

Speed Improvement of an FTICR Mass Spectra Analysis Program by Simple Modifications

  • Jeon, Sang-Hyun;Chang, Hyeong-Soo;Hur, Man-Hoi;Kwon, Kyung-Hoon;Kim, Hyun-Sik;Yoo, Jong-Shin;Kim, Sung-Hwan;Park, Soo-Jin;Oh, Han-Bin
    • Bulletin of the Korean Chemical Society
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    • v.30 no.9
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    • pp.2061-2065
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    • 2009
  • Two simple algorithm modifications are made to the THRASH data retrieval program with the aim of improving analysis speed for complex Fourier transform ion cyclotron resonance (FTICR) mass spectra. Instead of calculating the least-squares fit for every charge state in the backup charge state determination algorithm, only some charge states are pre-selected based on the plausibility values obtained from the FT/Patterson analysis. Second, a modification is made to skip figure-of-merit (FOM) calculations in the central m/z region between two neighboring peaks in isotopic cluster distributions, in which signal intensities are negligible. These combined modifications result in a significant improvement in the analysis speed, which reduces analysis time as much as 50% for ubiquitin (8.6 kDa, 76 amino acids) FTICR MS and MS/MS spectra at the reliability (RL) value = 0.90 and five pre-selected charge states with minimal decreases in data analysis quality (Table 3).

Photocatalytic Hydrogen Production in Water-Methanol Mixture over Iron-doped CaTiO3

  • Jang, J. S.;Borse, P. H.;Lee, J. S.;Lim, K. T.;Jung, O. S.;Jeong, E. D.;Bae, J. S.;Kim, H. G.
    • Bulletin of the Korean Chemical Society
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    • v.32 no.1
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    • pp.95-99
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    • 2011
  • $CaTi_{1-x}Fe_xO_3(0{\leq}x{\leq}0.4)$ solid solution photocatalysts were synthesized by iron doping during the conventional solid state reaction at $1100^{\circ}C$ for 5 h and characterized by ultraviolet-visible (UV-vis) absorption spectroscopy, X-ray diffraction, morphological analysis. We found that $CaTi_{1-x}Fe_xO_3$ samples not only absorb UV but also the visible light photons. This is because the Fe substitution at Ti-site in $CaTi_{1-x}Fe_xO_3$ lattice induces the band transition from Fe3d to the Fe3d + Ti3d hybrid orbital. The photocatalytic activity of Fe doped $CaTiO_3$ samples for hydrogen production under UV light irradiation decreased with the increase in the Fe concentration. There exists an optimized concentration of iron in $CaTiO_3$, which yields a maximum photocatalytic activity under visible light ($\lambda\geq420nm$) photons.

A Mechanistic Study on Addition Reactions of Alicyclic Amines to 3-Butyn-2-one

  • 음익환;이정숙;육성민
    • Bulletin of the Korean Chemical Society
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    • v.19 no.7
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    • pp.776-779
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    • 1998
  • Second-order rate constants have been measured spectrophotometrically for the addition reaction of a series of alicyclic amines to 3-butyn-2-one to yield their respective enamines at 25.0 'C. The reactivity of the amines increases with increasing the basicity of the amines. However, the Bronsted-type plot obtained exhibits a downward curvature as the basicity of the amines increases, i.e. βnuc decreases from 0.3 for low basic amines (pKa < 9) and to 0.1 for highly basic amines (pKa > 9). Such a curvature in the Bronsted-type plot is clearly indicative of a change in the reaction mechanism or transition state structure. From the corresponding reactions run in D2O, the magnitude of kinetic isotope effect (KIE) has been calculated to be about 0.8 for highly basic amines and 1.21 for weakly basic amines. The difference in the magnitude of KIE also supports a change in the reaction mechanism or transition state structure upon changing the basicity of the amines. Furthermore, the small KIE clearly suggests that H+ transfer is not involved in the rate-determining step, i.e. the addition reaction is considered to proceed via a stepwise mechanism in which the attack of the amines to the acetylene is the rate-determining step. The curvature in the Bronsted-type plot has been attributed to a change in the degree of bond formation between the amine and the acetylene.

Quantum Mechanical Study of the O(1D) + HCl → OH + Cl Reaction

  • Lin, Shi-Ying;Park, Seung-C.
    • Bulletin of the Korean Chemical Society
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    • v.23 no.2
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    • pp.229-240
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    • 2002
  • Quantum mechanical calculation is performed for the $O(^1D)$ + HCl ${\rightarrow}$OH + Cl reaction using Reactive Infinite Order Sudden Approximation. Shifting approximation is also employed for the l ${\neq}$ 0 partial wave contributions. Various dynamical quantities are calculated and compared with available experimental results and quasiclassical trajectory results. Vibrational distributions agree well with experimental results i.e. product states mostly populated at $v_f$ = 3, 4. Our results also show small peak at $v_f$ = 0, which indicates bimodal vibrational distribution. The results show two significant broad peaks in ${\gamma}_i$ dependence of the cross section, one is at ${\gamma}_i$ = $15^{\circ}-35^{\circ}$ and the another is at ${\gamma}_i$= $55^{\circ}-75^{\circ}$ which can be explained as steric effects. At smaller gi, the distribution is peaked only at higher state ($v_f$ = 3, 4) while at the larger gi, both lower state ($v_f$ = 0) and higher state ($v_f$ = 3, 4) are significantly populated. Such two competing contributions (smaller and larger ${\gamma}_i$) result in the bimodal distribution. From these points we suggest two mechanisms underlying in current reaction system: one is that reaction occurs in a direct way, while the another is that reaction occurs in a indirect way.

TG-SPSR: A Systematic Targeted Password Attacking Model

  • Zhang, Mengli;Zhang, Qihui;Liu, Wenfen;Hu, Xuexian;Wei, Jianghong
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • v.13 no.5
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    • pp.2674-2697
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    • 2019
  • Identity authentication is a crucial line of defense for network security, and passwords are still the mainstream of identity authentication. So far trawling password attacking has been extensively studied, but the research related with personal information is always sporadic. Probabilistic context-free grammar (PCFG) and Markov chain-based models perform greatly well in trawling guessing. In this paper we propose a systematic targeted attacking model based on structure partition and string reorganization by migrating the above two models to targeted attacking, denoted as TG-SPSR. In structure partition phase, besides dividing passwords to basic structure similar to PCFG, we additionally define a trajectory-based keyboard pattern in the basic grammar and introduce index bits to accurately characterize the position of special characters. Moreover, we also construct a BiLSTM recurrent neural network classifier to characterize the behavior of password reuse and modification after defining nine kinds of modification rules. Extensive experimental results indicate that in online attacking, TG-SPSR outperforms traditional trawling attacking algorithms by average about 275%, and respectively outperforms its foremost counterparts, Personal-PCFG, TarGuess-I, by about 70% and 19%; In offline attacking, TG-SPSR outperforms traditional trawling attacking algorithms by average about 90%, outperforms Personal-PCFG and TarGuess-I by 85% and 30%, respectively.

The design and implementation of LAPD protocol for ISDN Basic Access (ISDN Basic Access를 위한 LAPD 프로토콜의 설계 및 구현)

  • Han, Woon-Young;Suh, Chang-Jin;Chung, Hee-Chang;Yim, Chu-Hwan
    • Proceedings of the KIEE Conference
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    • 1987.07b
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    • pp.921-923
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    • 1987
  • This paper describes the design and implementation of LAPD protocol for ISDN Basic Access. In protocol design, Software module is divided according to function and interfaces between modules arc defined. After that, Software structure is defined. LAPD protocol is designed by state machine design technique and implemented by SDL.

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