• 제목/요약/키워드: 3-D Mechanism

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4원 합금 AlGaAs2:Mn의 강자성 (Ferromagnetism of Chalcopyrite AlGaAs2:Mn Quaternary Alloys)

  • 강병섭
    • 한국재료학회지
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    • 제30권12호
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    • pp.666-671
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    • 2020
  • The electronic structure and magnetic properties of chalcopyrite (CH) AlGaAs2 with dopant Mn at 3.125 and 6.25 % concentrations are investigated using first-principles calculations. The CH AlGaAs2 alloy is a p-type semiconductor with a small band-gap. The AlGaAs2:Mn shows that the ferromagnetic (FM) state is the most energetically favorable one. The Mn-doped AlGaAs2 exhibits FM and strong half-metallic ground states.The spin polarized Al(Ga,Mn)As2 state (Al-rich system) is more stable than the (Al,Mn)GaAs2 state (Ga-rich system), which has a magnetic moment of 3.82mB/Mn. The interaction between Mn-3d and As-4p states at the Fermi level dominates the other states.The states at the Fermi level are mainlyAs-4p electrons, which mediate strong interaction between the Mn-3d and As-4p states. It is noticeable that the FM ordering of dopant Mn with high magnetic moment originates from the As(4p)-Mn(3d)-As(4p) hybridization, which is attributed to the partially unfilled As-4pbands. The high FM moment of Mn is due to the double-exchange mechanism mediated by valence-band holes.

Calcium Homeostasis and Regulation of Calbindin-D9k by Glucocorticoids and Vitamin D as Bioactive Molecules

  • Choi, Kyung-Chul;Jeung, Eui-Bae
    • Biomolecules & Therapeutics
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    • 제17권2호
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    • pp.125-132
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    • 2009
  • Calbindin-$D_{9k}$ (CaBP-9k), a cytosolic calcium-binding protein, is expressed in a variety of tissues, i.e., the duodenum, uterus, placenta, kidney and pituitary gland. Duodenal CaBP-9k is involved in intestinal calcium absorption, and is regulated at transcriptional and post-transcriptional levels by 1,25-dihydroxyvitamin D3, the hormonal form of vitamin D, and glucocorticoids (GCs). Uterine CaBP-9k has been implicated in the regulation of myometrial action(s) through modulation of intracellular calcium, and steroid hormones appear to be the main regulators in its uterine and placental regulation. Because phenotypes of CaBP-9k-null mice appear to be normal, other calcium-transporter genes may compensate for its gene deletion and physiological function in knockout mice. Previous studies indicate that CaBP-9k may be controlled in a tissue-specific fashion. In this review, we summarize the current information on calcium homeostasis related to CaBP-9k gene regulation by GCs, vitamin D and its receptors, and its molecular regulatory mechanism. In addition, we present related data from our current research.

Heat-Killed Lactiplantibacillus plantarum LRCC5314 Mitigates the Effects of Stress-Related Type 2 Diabetes in Mice via Gut Microbiome Modulation

  • Nam, YoHan;Yoon, Seokmin;Baek, Jihye;Kim, Jong-Hwa;Park, Miri;Hwang, KwangWoo;Kim, Wonyong
    • Journal of Microbiology and Biotechnology
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    • 제32권3호
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    • pp.324-332
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    • 2022
  • The incidence of stress-related type 2 diabetes (stress-T2D), which is aggravated by physiological stress, is increasing annually. The effects of Lactobacillus, a key component of probiotics, have been widely studied in diabetes; however, studies on the effects of postbiotics are still limited. Here, we aimed to examine the mechanism through which heat-killed Lactiplantibacillus plantarum LRCC5314 (HK-LRCC5314) alleviates stress-T2D in a cold-induced stress-T2D C57BL/6 mouse model. HK-LRCC5314 markedly decreased body weight gain, adipose tissue (neck, subcutaneous, and epididymal) weight, and fasting glucose levels. In the adipose tissue, mRNA expression levels of stress-T2D associated factors (NPY, Y2R, GLUT4, adiponectin, and leptin) and pro-inflammatory factors (TNF-α, IL-6, and CCL-2) were also altered. Furthermore, HK-LRCC5314 increased the abundance of Barnesiella, Alistipes, and butyrate-producing bacteria, including Akkermansia, in feces and decreased the abundance of Ruminococcus, Dorea, and Clostridium. Thus, these findings suggest that HK-LRCC5314 exerts protective effects against stress-T2D via gut microbiome modulation, suggesting its potential as a supplement for managing stress-T2D.

황백의 주요 구성 화합물에 의한 약물대사효소 및 약물수송단백 저해능 평가 (Inhibition of Drug-metabolizing Enzyme and Drug Transporter by Major Components of Phellodendri cortex)

  • 구혜영;김현미;손지홍;유광현
    • 한국해양바이오학회지
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    • 제1권3호
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    • pp.213-217
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    • 2006
  • 본 연구는 황백에 함유되어 있는 주요 화합물인 berberine, palmatine, limonin 및 rutaecarpine의 CYP2D6 및 p-glycoprotein 활성에 대한 저해정도를 탐색함으로써, 황백을 다른 양약과 병용시 약물상호작용을 유발할 수 있는 가능성을 평가하고자 하였다. 인체 간 마이크로좀 시료에 CYP2D6 동효소의 기질약물인 dextromethorphan과 NADPH 재생성계 및 저해제 ($200{\mu}M$)를 첨가한 후 반응시켜 생성된 대사물을 LC/MS/MS를 이용하여 정량하여 CYP2D6 동효소 활성의 변화를 평가하였다. 또한 약물수송단백인 p-glycoprotein의 활성은 L-MDR1 세포주를 이용한 calcein AM 축적 실험을 통하여 평가하였다. 그 결과 식물 알카로이드인 berberine에서 강력한 CYP2D6 활성 저해능을 관찰하였으며, 저해 효과는 농도 의존적으로 증가하였으며, mechanism-based 저해 기전을 나타내었다. 그러나 limonine과 rutaecarpine은 CYP2D6 저해 활성을 보이지 않았고, p-glycoprotein 기능에 대해서는 평가한 어떤 화합물도 저해 활성을 나타내지 않았다. 황백의 주요 성분인 berberine의 CYP2D6 활성 저해능을 고려할 때, 황백을 CYP2D6 기질약제와 병용시 약물상호작용을 유발할 가능성을 보여준다. 이러한 황백의 CYP2D6를 매개로한 임상적인 약물상호작용 가능성은 임상시험을 통하여 추가적인 검정이 필요할 것으로 사료된다.

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CFD를 활용한 밀폐공간 가스질식사고의 피해 영향 평가 (An Estimation of the Consequence Analysis for Asphyxiation Accident in Confined Space using C.F.D.)

  • 조완수;김의수
    • 한국안전학회지
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    • 제33권5호
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    • pp.28-34
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    • 2018
  • Recently, various engineering approaches have been widely used in the accident investigation field to identify the cause of the accident and to predict damage by accident. Computational analysis is the most commonly used method of accident investigation technique. This technique is mainly used to identify the mechanism of the accident generation and to determine the cause when it is difficult to reproduce the situation at the time of the accident or when it is impossible to perform a reproduction experiment. In this study, The computational fluid dynamics analysis for nitrogen asphyxiation accident generated by defect of building structural between diffusion outlet and cooling tower was performed to determine the inflow path of the suffocation gas, death possibility by concentration of suffocation gas and predicted the time of death due to the accident using 3D modeling and FLACS program. We can quantify diffusion concentration of asphyxiation gas and predict mechanism of death occurrence by accident and evaluate the consequence Analysis through this study. In the future, This method can be widely used in the field of gas safety by improving the reliability and validity of the analysis.

3차원 고세장비 공동 주위의 난류유동 및 음향 특성에 관한 수치적 연구 (NUMERICAL ANALYSIS FOR TURBULENT FLOW AND AERO-ACOUSTICS AROUND A THREE DIMENSIONAL CAVITY WITH HIGH ASPECT RATIO)

  • 문바울;김재수
    • 한국전산유체공학회지
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    • 제15권2호
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    • pp.7-13
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    • 2010
  • Flight vehicles such as wheel wells and bomb bays have many cavities. The flow around a cavity is characterized as an unsteady flow because of the formation and dissipation of vortices brought by the interaction between the free stream shear layer and the internal flow of the cavity. The resonance phenomena can damage the structures around the cavity and negatively affect the aerodynamic performance and stability of the vehicle. In this study, a numerical analysis was performed for the cavity flows using the unsteady compressible three-dimensional Reynolds-Averaged Navier-Stokes (RANS) equation with Wilcox's turbulence model. The Message Passing Interface (MPI) parallelized code was used for the calculations by PC-cluster. The cavity has aspect ratios (L/D) of 5.5 ~ 7.5 with width ratios (W/D) of 2 ~ 4. The Mach and Reynolds numbers are 0.4 ~ 0.6 and $1.6{\times}10^6$, respectively. The occurrence of oscillation is observed in the "shear layer and transient mode" with a feedback mechanism. Based on the Sound Pressure Level (SPL) analysis of the pressure variation at the cavity trailing edge, the dominant frequencies are analyzed and compared with the results of Rossiter's formula. The dominant frequencies are very similar to the result of Rossiter's formula and other experimental datum in the low aspect ratio cavity (L/D = ~4.5). In the high aspect ratio cavity, however, there are other low dominant frequencies of the leading edge shear layer with the dominant frequencies of the feedback mechanism.

세장비 변화에 따른 3차원 공동 주위의 난류유동 및 음향 특성에 관한 수치적 연구 (NUMERICAL ANALYSIS FOR TURBULENT FLOW OVER A THREE DIMENSIONAL CAVITY WITH LARGE ASPECT RATION)

  • 문바울;김재소
    • 한국전산유체공학회:학술대회논문집
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    • 한국전산유체공학회 2009년 추계학술대회논문집
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    • pp.13-18
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    • 2009
  • Flight vehicles such as wheel wells and bomb bays have many cavities. The flow around a cavity is characterized as an unsteady flow because of the formation and dissipation of vortices brought about by the interaction between the free stream shear layer and the internal flow of the cavity. The resonance phenomena can damage the structures around the cavity and negatively affect the aerodynamic performance and stability of the vehicle. In this study, a numerical analysis was performed for the cavity flows using the unsteady compressible three-dimensional Reynolds-Averaged Navier-Stokes (RANS) equation with Wilcox's turbulence model. The Message Passing Interface (MPI) parallelized code was used for the calculations by PC-cluster. The cavity has aspect ratios (L/D) of 2.5 ~ 7.5 with width ratios (W/D) of 2 ~ 4. The Mach and Reynolds numbers are 0.4 ~ 0.6 and $1.6{\times}106$, respectively. The occurrence of oscillation is observed in the "shear layer and transient mode" with a feedback mechanism. Based on the Sound Pressure Level (SPL) analysis of the pressure variation at the cavity trailing edge, the dominant frequencies are analyzed and compared with the results of Rossiter's formula. The dominant frequencies are very similar to the result of Rossiter's formula and other experimental data in the low aspect ratio cavity (L/D = ~ 4.5). In the large aspect ratio cavity, however, there are other low dominant frequencies due to the leading edge shear layer with the dominant frequencies of the feedback mechanism. The characteristics of the acoustic wave propagation are analyzed using the Correlation of Pressure Distribution (CPD).

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N,N-Dimethyl-N-Dodecyl-N-(2-methylbenzimidazoyl) Ammonium Chloride 미셀 용액속에서 p-Nitrophenyl Carboxylic Ester의 가수분해 (Hydrolysis of p-Nitrophenyl Carboxylic Ester in N,N-Dimethyl-N-dodecyl-N-(2-methylbenzimidazoyl) Ammonium Chloride Micellar Solution)

  • 김정배;김학윤
    • 한국환경과학회지
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    • 제17권5호
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    • pp.509-516
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    • 2008
  • New functional surfactant, N,N-dimethyl-N-dodecyl-N-(2-methyl benzimidazoyl) ammonium chloride(DDBAC) having benzimidazole(BI) functional group have been synthesized and the critical micellar concentration of DDBAC measured by surface tentiometry and electric conductivity method was $8.9{\times}10^{-4}M$. Micellar effects in DDBAC functional surfactant solution on the hydrolysis of p-nitrophenylacetate(p-NPA), p-nitro-phenylpropionate(p-NPP) and p-nitrophenylvalerate(p-NPV) were observed with change of various pH (Tris-buffer). The pseudo first rate constants of hydrolysis of p-NPA, p-NPP and p-NPV in optimum concentration of DDBAC solution increase to about 160, 280 and 600 times, respectively, as compared with those of aqueous solution at pH 8.00(Tris-buffer). It is considered that benzimidazole functional moiety accelerates the reaction rates of hydrolysis because they act as nucleophile or general base. In optimum concentration of DDBAC solution, the rate constants of hydrolysis of p-NPP and p-NPV increase to about 1.5 and 3.0 times, respectively, as compared with that of p-NPA. It means that the more the carbon numbers of alkyl group of substrates, the larger the binding constants between DDBAC micelle and substrates are. To know the hydrolysis mechanism of p-NPCE(p-NPA, p-NPP and p-NPV), the deuterium kinetic isotope effects were measured in $D_2O$ solutions. Consequently the pseudo first order rate constant ratios in $H_2O$ and $D_2O$ solution, $k_{H_2O}/k_{D_2O}$, were about $2.8{\sim}3.0$ range. It means that the mechanism of hydrolysis were proceeded by nucleophile and general base attack in approximately same value.

NEUROTOXICITY OF TRIMETHYLTIN IN HIPPOCAMPUS: A HYPEREXCITATORY TOXICITY

  • Chang, Louis W.
    • Toxicological Research
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    • 제6권2호
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    • pp.191-204
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    • 1990
  • Trimethyltin (TMT) induced lesions in the rat hippocampal formation was reviewed. Adult rats were treated with a single dose of 6.0 mg TMT/kg b.w. and were sacrificed between 3-60 days following exposure. On the hippocampal formation, the granule cells of fascia dentata showed early changes which subsided considerably at a later time when the destruction of the pyramidal neurons of the Ammon's horn became increasingly pronounced with time, leading to severe destruction of the structure. It is interesting to note that there was an inverse relationship of pathological involvement between the f.d. granule cells and the Ammon's horn neurons; i.e., when there was a large sparing of the granule cells. there was an extensive damage to the Ammon's horn and vice versa. This inverse relationship was also true between the $CA_3$neurons and the $CA_{1,2}$neurons in the Ammon's horn. Progressive zinc loss, as demonstrated by Timm's method, on the Mossy fibers was also observed. Similar Mossy fiber zinc depletion has been demonstrated in electrical stimulatory excitation condition of the perforant path to the hippocampus. Depletion of corticosterone, an inhibitor to the hippocampal neurons, by means of adrenalectomy will exaggerate the TMT induced hippocampal lesion. Neonatal study revealed that a unique degenerative pattern of the Ammon's horn could be established in accordance with exposure to TMT at specific maturation periods of the fippocampal formation: increasing destruction of the Ammon's horn with increasing synaptogenesis between the f.d. granule cells and the Ammon's horn neurons. Thus it is apparent that the damage of the Ammon's horn, upon exposure to TMT, may depend on the integrity and functional state of the f.d. granule cells. A hyperexcitory scheme and mechanism as the toxicity basis of TMT in the hippocampal formation is proposed and discussed.

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Nucleophilic Substitution Reactions of N-Methyl α-Bromoacetanilides with Benzylamines in Dimethyl Sulfoxide

  • Adhikary, Keshab Kumar;Lee, Hai-Whang
    • Bulletin of the Korean Chemical Society
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    • 제32권3호
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    • pp.857-862
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    • 2011
  • Kinetic studies of the reactions of N-methyl-Y-${\alpha}$-bromoacetanilides with substituted X-benzylamines have been carried out in dimethyl sulfoxide at $25.0^{\circ}C$. The Hammett plots for substituent X variations in the nucleophiles (log $k_N$ vs ${\sigma}_X$) are slightly biphasic concave upwards/downwards, while the Bronsted plots (log $k_N$ vs $pK_a$) are biphasic concave downwards with breakpoints at X = H. The Hammett plots for substituent Y variations in the substrates (log $k_N$ vs ${\sigma}_Y$) are biphasic concave upwards/downwards with breakpoints at Y = H. The cross-interaction constant $\rho_{XY}$ values are all negative: $\rho_{XY}$ = -0.32 for X = Y = electron-donating; -0.22 for X = electron-withdrawing and Y = electron-donating; -1.80 for X = electron-donating and Y = electronwithdrawing; -1.43 for X = Y = electron-withdrawing substituents. Deuterated kinetic isotope effects are primary normal ($k_H/k_D$ > 1) for Y = electron-donating, while secondary inverse ($k_H/k_D$ < 1) for Y = electronwithdrawing substituent. The proposed mechanisms of the benzylaminolyses of N-methyl-Y-${\alpha}$-bromoacetanilides are a concerted mechanism with a five membered ring TS involving hydrogen bonding between hydrogen (deuterium) atom in N-H(D) and oxygen atom in C = O for Y = electron-donating, while a concerted mechanism with an enolate-like TS in which the nucleophile attacks the ${\alpha}$-carbon for Y = electronwithdrawing substituents.