• 한국전산구조공학회논문집
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• 제26권5호
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• pp.393-399
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• 2013

본 논문은 그래핀의 모드 I 균열 진전에 대한 분자동역학 해석과 수치보조장을 사용하는 영역 투영 방법의 역문제 해석 방법을 결합하여 균열 선단 응집 법칙을 평가하는 효율적인 방법을 제시하고 있다. 그래핀의 균열 선단 응집 법칙을 결정하는 것은 균열 선단에서 멀리 떨어진 영역의 변위를 사용하여 균열 면에서 미지의 응집 트랙션과 열림 변위를 구하는 역문제를 해석해야 하는데 상호 J-적분과 M-적분의 경로 보존성과 효율적인 수치보조장을 사용하는 방법을 적용하였다. 분자동역학 해석에서 원자 변위를 유한요소 절점 변위로 이동최소자승법을 사용하여 근사하였으며 안정적인 역문제 해석을 통하여 원자 단위의 거동을 연속체 해석으로 연결시킬 수 있는 새로운 방법을 보여주었다.

• 대한핵의학회지
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• 제38권2호
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• pp.115-120
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• 2004

Molecular imaging is a rapidly growing field due to the advances in molecular biology and imaging technologies. With the introduction of imaging reporter genes into the cell, diverse cellular processes can be monitored, quantified and imaged non-invasively in vivo. These precesses include the gene expression, protein-protein interactions, signal transduction pathways, and monitoring of cells such as cancer cells, immune cells, and stem cells. In the near future, molecular imaging analysis will allow us to observe the incipience and progression of the disease. These will make us easier to give a diagnosis in the early stage of intractable diseases such as canter, neuro-degenerative disease, and immunological disorders. Additionally, molecular imaging method will be a valuable tool for the real-time evaluation of cells in molecular biology and the basic biological studies. As newer and more powerful molecular imaging tools become available, it will be necessary to corporate clinicians, molecular biologists and biochemists for the planning, interpretation, and application of these techniques to their fullest potential. in order for such a multidisciplinary team to be effective, it is essential that a common understanding of basic biochemical and molecular biologic techniques is achieved. Basic molecular techniques for molecular imaging methods are presented in this paper.

• 한국식품위생안전성학회지
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• 제34권3호
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• pp.290-295
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• 2019

최근 한국에서 발생한 Salmonella로 인한 식중독 사고는 2018년 9월 학교급식에서 제공된 초콜릿 무스 케이크가 원인이 되었다. 이 연구의 목적은 Salmonella Typhimurium이 인위적으로 접종된 무스케이크와 티라미수에서 3M Molecular Detection Assay 2 - Salmonella와 식품공전에 등재된 방법인 분리배지와 real-time PCR을 비교하는 것이었다. 무스케이크 2종과 티라미수 2종 25 g에 225 mL BPW를 넣고 $37^{\circ}C$에서 24시간 동안 증균 배양하였다. 배양 후, 3M Molecular Detection Assay 2 - Salmonella, 분리배지 그리고 real-time PCR로 분석하였다. 초콜릿 무스 케이크를 제외하고 3가지 방법은 유사한 결과를 보였다. 초콜릿 무스 케이크에서 분리배지와 3M Molecular Detection Assay 2 - Salmonella는 모든 접종수준에서 동일한 결과를 나타낸 반면 real-time PCR은 $10^4CFU/25g$ 수준에서 1번의 양성결과를 제외하고 모두 검출되지 않았다. 초콜릿 무스에 S. Typhimurium을 $10^2CFU/25g$ 수준으로 접종하였을때, real-time PCR를 이용한 검출은 15%에서는 부분적인 음성을 나타냈고, 20-100% 함량의 초콜릿 무스에서는 모두 음성이었다. Real-time PCR로는 chocolate이 15% 이상 함유된 식품에서의 Salmonella균 검출이 불가능하였지만, LMAP 기반의 3M Molecular Detection Assay 2으로는 chocolate 농도에 관계없이 검출이 가능하였다.

• 대한화학회지
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• 제36권4호
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• pp.485-495
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• 1992

기체 및 액체 상태의 여러가지 유기화합물(alcohol, acetate, alkane, acid 및 substituted NH$_2$)과 이성분계 혼합용액(n-alkane/1-chloroalkane)에 대한 점성도를 계산하기 위하여, 분자의 크기, 가지의 형태, 환상구조, 불포화의 정도, 분극성 등이 분자의 성질에 미치는 영향을 잘 설명하여 주는 molecular connectivity index, Wiener index 및 ad hoc descriptor 방법을 이용하였다. 그 결과 기체 상태에 대해서는 Wiener index 방법이, 액체 상태에 대해서는 ad hoc descriptor 방법이 그리고 이성분계에 대해서는 molecular connectivity index 방법이 우수한 방법임을 알 수 있었으며, 각각의 방법으로 구한 최적 상관관계식을 이용하여 점성도를 계산하였고, 이와 같이 구한 이론치와 점성도의 실측치를 비교할 때, 매우 잘 일치하는 결과를 얻을 수 있었다.

• Journal of Korean Vacuum Science & Technology
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• 제6권1호
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• pp.1-4
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• 2002

A simple method for real-time monitoring the molecular orientation in a polymeric film was suggested. This method was examined in the polarization holograms by two recording beams on a poly(malonic ester) containing disperse red 1. The spatial distributions of the photo-induced alignment were measured and analyzed at various polarization states of two recording beams. As the result, the directions of molecular alignments could be identified easily by our method.

• Asian-Australasian Journal of Animal Sciences
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• 제18권11호
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• pp.1529-1534
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• 2005

Individual-breed assignments were implemented in six swine populations using twenty six microsatellites recommended by the Food and Agriculture Organization and the International Society for Animal Genetics (FAO-ISAG). Most microsatellites exhibited high polymorphisms as shown by the number of alleles and the polymorphism information content. The assignment accuracy per locus obtained by using the Bayesian method ranged from 33.33% (CGA) to 68.47% (S0068), and the accumulated assignment accuracy of the top ten loci combination added up to 96.40%. The assignment power of microsatellites based on the Bayesian method had positive correlations with the number of alleles and the gene differential coefficient ($G_{st}$) per locus, while it has no relationship to genetic heterozygosity, polymorphism information content per locus and the exclusion probabilities under case II and case III. The percentage of corrected assignment was highest for the Bayesian method, followed by the gene frequency and distancebased methods. The assignment efficiency of microsatellites rose with increase in the number of loci used, and it can reach 98% when using a ten-locus combination. This indicated that such a set of ten microsatellites is sufficient for breed verification purposes.

• 에너지공학
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• 제18권2호
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• pp.125-131
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• 2009

경도, 내마모성과 내부식성 등과 같은 금속의 물리적 특성은 이온주입에 의해 인위적으로 제어되어 질 수 있다. 이온주입의 특성을 관찰하기 위하여 분자동역학법을 이용하여 이온과 표면원자사이의 상호작용에 대해 미시적인 원자.분자 스케일로 현상을 모델화하여 수치해석을 수행하였다. 본 연구는 이온주입의 특성을 개선하기 위한 수치해석 연구로써 미시적인 관점에서 이온주입의 프로세스를 관찰하고자 하였다. 이를 위해 주입이온속도에 따른 주입메카니즘과 초기표면온도, 이온분자량 등의 영향을 조사하였다. 그 결과 초기 표면원자층의 온도가 높은 경우에 주입에너지가 어느 값 이상이 되면 오히려 주입확률이 감소하며 또한 비결정질상태인 표면원자층에 대한 이온주입은 양호한 조건의 설정에 따라 더 효과적일 수 있음을 알 수 있었다.

• 에너지공학
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• 제23권4호
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• pp.215-222
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• 2014

A theory-based methodology for describing the thermodynamic properties of molecular nitrogen is presented. The results obtained indicate a successful application of a fully consistent statistical method for the description of a molecular system in different phase states. The method employs a density of states equation for solid nitrogen and a perturbation potential for gaseous and liquid nitrogen. The main characteristics of the calculation method include the need for a minimal number of initial data and the absence of fitting parameters. The adequacy of the physical model that is the basis for the method allows a description of existing experimental data and the peculiarities of the thermodynamic properties.

• 한국생물정보학회:학술대회논문집
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• 한국생물정보시스템생물학회 2000년도 International Symposium on Bioinformatics
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• pp.32-34
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• 2000

Computational chemistry is a discipline using computational methods for the calculation of molecular structure, properties, and reaction or for the simulation of molecular behavior. Relating and turning the complexity of data from genomics, high-throughput screening, combinatorial chemical synthesis, gene-expression investigations, pharmacogenomics, and proteomics into useful information and knowledge is the primary goal of bioinformatics. In particular, the structure-based molecular design is one of essential fields in bioinformatics and it can be called as structural bioinformatics. Therefore, the conformational analysis for proteins and peptides using the techniques of computational chemistry is expected to play a role in structural bioinformatics. There are two major computational methods for conformational analysis of proteins and peptides; one is the molecular orbital (MO) method and the other is the force field (or empirical potential function) method. The MO method can be classified into ab initio and semiempirical methods, which have been applied to relatively small and large molecules, respectively. However, the improvement in computer hardwares and softwares enables us to use the ab initio MO method for relatively larger biomolecules with up to v100 atoms or ∼800 basis functions. In order to show how computational chemistry can be used in structural bioinformatics, 1 will present on (1) cis-trans isomerization of proline dipeptide and its derivatives, (2) positional preference of proline in ${\alpha}$-helices, and (3) conformations and activities of Arg-Gly-Asp-containing tetrapeptides.

• KSBB Journal
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• 제31권1호
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• pp.33-39
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• 2016

Developing the method for the selection of animal cell line producing therapeutic monoclonal antibody (mAb) is invaluable as its market is rapidly growing. Although the quality of produced mAb is as important as quantity, however there is no method developed for the selective screening of cell lines on the basis of both quantity and quality. From recent reports, the ratio of light and heavy chain mRNAs of mAb in the cell is a key parameter for the indication of product quality. Therefore, it is obvious that developing the novel method that can detect both light and heavy chain mRNAs in single live cell will provide unprecedented opportunities in bio-industry. Here, we have constructed oligonucleotide probes, molecular beacons for the detection of light or heavy chain mRNAs, respectively, in the live cells producing mAbs. Both beacons showed increased fluorescent intensity after transient transfection of plasmid expressing mAbs analyzed by fluorometer. Flow cytometric analysis clearly demonstrated that both molecular beacons can simultaneously detect the expression of light and heavy chain mRNAs of mAb in the same cell. The technique described in the thesis provides the new direction and concept for developing the method for the smart selection of cell lines producing recombinant proteins including therapeutic mAbs.