• 제목/요약/키워드: G3 calculation

검색결과 365건 처리시간 0.032초

Rhodamine 6G Based New Fluorophore Chemosensor Toward Hg2+

  • Son, Young-A;Park, June-Min
    • 한국염색가공학회지
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    • 제24권3호
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    • pp.158-164
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    • 2012
  • Rhodamine dyes belong to xanthene family has excellent photostability and photophysical properties. In rhodamine dyes, Rhodamine 6G and its precursors also have xanthene chromophore and it shows high fluorescent quantum yield. Rhodamine 6G derivates are simple to synthesis and its high sensitivity and water solubility are suitable as good chemosensor. In this regard, Rhodamine 6G derivates which have selectivity to specific metal cation can used to detect various heavy metal ions. In this study, rhodamine 6G derivatives were synthesized by reaction of rhodamine 6G hydrazide and glyoxal and 4-phenyl thiosemicarbazide and it showed colorimetric and fluorescence sensing toward $Hg^{2+}$ ion. This novel chemosensor was analyzed and measured on UV-Vis and fluorescence spectrophotometer. HOMO/LUMO values were also calculated by computational calculation.

제도법 개선을 위한 저고리 깃 구성의 재고찰 (- The Review of the Collar Consideration of G go-ri to Improve Drafting Method -)

  • 정옥임
    • 대한가정학회지
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    • 제34권4호
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    • pp.249-263
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    • 1996
  • According to the design method for constructing the G gori(the traditional Korean jacket)collar, there are differences in form after its completion. In the construction design of the midsection of the gusset as in that of the basic G gori, not only was the positioning of the two sides of the collar not smooth, but also, when the collar strip was attached, there would be an imbalance on one side or the other so that it was difficult to achieve symetry. Therefore in this project, by applying the pattern design of the gusset midsection to that of the collar midsection, not only did attaching the collar and the collar strip create a visual effect by equalizing the lengths of the tow sides, but the construction was also easy. This method of construction introduces the three-dimensional aspect of the human form in its conic, spherical and cylindrical aspects, so that, through schematizing the scientific character of Korea's clothing, its appropriateness is verified. As a matter of fact, since th-ere in no standardization of pattern whether for educational use or for mass-produced clothing, so that even the patterns used in computer-assisted design are executed according to the designer's personal skill, the reality is that after completion of construction the quality has not been uniform. For this schematization, inverse calculation of measurements pertaining to the calculation formula and of teaching materials has been referenced. In particular, the partial requlation of the calculation formula pertaining to the basic pattern construction, the method of making the collar midsection, and the construction method of the extreme and mean ratio adjustment can be adjusted for all measurements, thereby providing the establishment of a design criterion and the possibility of the standardization of construction methods. The production method for the pattern design is as follows: 1) The conic angle for the G gori's girth, length and neck width is fixed at 70 degrees. 2) The radius of the cone is B/2. 3) The calculation formula is B/4 + 1.5cm 4) The armhole formula is B/4, the same as in the basic method. 5) The width formula is B/10. 6) The ratio of the collar junction(width of collar + width of collar strip)to the gusset length is 5:8. 7) The length of the side seam is a length intersecting the armhole line and the conic radius (B/2), that is an arc that exceeds the length of the G gori's midsection; the component ratio of this length to the collar junction is accordingly 13:5. 8) The curve frame length of the back midsection is an arc exceeding B/4(the armhole line). 9) The ratio of the sleeve opening calculation formula to the armhole length is 8:5, forming an arc with the midsection length.

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양자화학적 계산에 의한 올리고펩티드 수화물의 구조분석 (Conformational Analyses for Hydrated Oligopeptides by Quantum Chemical Calculation)

  • 심재호
    • 한국산학기술학회논문지
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    • 제19권7호
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    • pp.95-104
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    • 2018
  • 이성질체의 형태는 수용액 상태에서 종종 안정성과 반응성 등의 기본상태 뿐만 아니라 사슬성장 및 접힘 과정으로 인하여 형태형성에 영향을 주기 때문에 올리고펩티드의 형태를 이해하는 것이 중요하다. 본 논문에서는 L-알라닌(LA), 글리신(G) 5량체 모델의 무수 및 수화물(수화율; h/1) 상태의 구조와 에너지를 4가지 형태이성질체 (베타-확장형;= t-/t+, $PP_{II}$형; g-/t+, $PP_{II}$-유사형; g-/g+ 및 알파-나선형; g-/g-)에 대하여 B3LYP/6-31G(d,p)를 이용하여 양자화학계산(QCC) 방법으로 분석하였다. 구조최적화는 밀도함수 이론(DFT)으로써 B3LYP를 사용하였으며, 기본설정(Basic set)으로는 6-31G(d,p)를 이용하였다. 이미노 양성자(NH)를 갖는 LA와 G에서 베타-확장형, $PP_{II}$-유사형, 알파-나선형의 3가지 형태가 얻어졌으며, 대부분 물 분자가 $PP_{II}$-유사형과 알파-나선형에서는 CO-HN 분자 내 수소결합 사이에 주로 삽입되었고, 베타-확장형은 CO기에 부착되었다. 또한, LA와 G에서 $PP_{II}$-유사형 형태이성질체가 무수 및 수화물 상태에서 가장 안정적이었으며, $PP_{II}$ 형태이성질체는 얻어지지 않았다. LA에 대한 결과는 알라닌 올리고펩티드의 안정적인 형태가 주로 $PP_{II}$라고 보고한 다른 연구의 실험적 및 이론적인 결과와는 상이했다. 올리고펩티드 형태이성질체의 생성패턴과 안정성이 CO-HN의 분자 내 수소결합의 존재 여부 또는 출발 아미노산 내 $NH_2$기의 존재 여부에 강한 영향을 받는 것을 알 수 있었다.

지하철 터널 굴착공법 (MORDERN METHODS FOR TUNNEL)

  • 허진
    • 기술사
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    • 제14권3호
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    • pp.9-21
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    • 1981
  • The rationalization for Tunnel Drifting is based on the high productivity which is achievable due to Continuous work with a Jumbo Drill, resulting in a much higher efficiency them the Conventional method of blasting, mucking and supporting services. Large projects of over 4,000m Tunnel Drifting are condidated to justify the use of a Jumbo Drill with a combination of superior explosives, machinery and techniques. During a Tunnel Drifting test, Gulita, Nabit and slurry made by Nitro Nobel were employed with following results. 1, Conditions: a. Granite Rock with Two free face b. Burden (W), 2m c. Diameter of hole, 42mm d. Depth of hole 3.5m e. Hole pitch 0.6m f. Charged Explosive per hole Gelatin Dynamite 4 pieces (112.5${\times}$4ea)+Guuita 5 pieces(110g${\times}$5ea) g. Simal-taneous Detonation h. After the blasting resultant rock size was Less 40% of the 0.3m Lumps. 2. Calculation results W=q/Wn=100cm‥‥‥Burden in simultaneous blasting 0.865kg(7.7ea)/hole ‥‥‥Amount of charge but hole pitch is 1.5W-2W The estimated cost of using a Jumbo Drill for the Construction of a 3,000,000 bbL sub-surface oil storage would be as follows: This calculation is based on the Jumbo Drill advancing 3.6m per blasting cycle. Unit cost/bbL Excavation $3.13 The attached sheet shows ideal Drilling pattern with Burn Cut & Smooth blasting method. In conclusion, it is my opinion that this method will assure safety and save cost and improve our technical know-how.

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남향과 동향 집합주택의 냉방부하에 관한 연구 (A Study on the Cooling Load of South and East Facing Apartment Houses)

  • 박근우;이경희
    • 한국주거학회논문집
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    • 제11권2호
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    • pp.129-137
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    • 2000
  • This study is about the difference of South and East facing Cooling load of Apartment s Houses using Dynamic Heat-flow Calculation. Therefore, the purpose of this study is come in to use Material for the Thermal Environments of Apartment Houses. The results of the analysis are below. (1) For the peak load of degree hour; The highest is "I" unit and the next high load is H, F, E, C, B, G, D and A unit for the south facing Apartment houses. The higher load is "H" unit and the next high load is I, E, F, B, C, G, D, A Unit for the east facing Apartment houses. (2) For the total load of degree day; The highest load is "I" unit and the next high load is H, G, F, E, C, B, D and A Unit for the south facing Apartment houses. The highest load is "H" unit and the next high load is I, G, E, F, B, C, D, A Unit for the east facing Apartment houses. (3) For the total load of degree day; The highest load is "H" Unit for the east facing Apartment houses and the Lowest load is "A" Unit for the south facing Apartment houses.is "A" Unit for the south facing Apartment houses.nt houses.

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Chirality Conversion of Dipeptides in the Schiff Bases of Binol Aldehydes with Multiple Hydrogen Bond Donors

  • Park, Hyun-Jung;Hong, Joo-Yeon;Ham, Si-Hyun;Nandhakumar, Raju;Kim, Kwan-Mook
    • Bulletin of the Korean Chemical Society
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    • 제30권2호
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    • pp.409-414
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    • 2009
  • Novel binol aldehydes derivatized at 2' hydroxy position with both uryl and acetamide groups (2), and diuryl groups (3) have been synthesized. Both were designed for streospecific binding and chirality conversion of general dipeptides with support of multiple hydrogen bonding donor sites in the receptors. The receptors, 2 and 3, converted the chirality of N-terminal amino acids of peptides such as Ala-Gly, Met-Gly, Leu-Gly and His-Gly with stereoselectivity on D-form over L-form. The stereoselectivity ratios were in the range of 5-11, somewhat higher than those of the binol receptor with mono uryl group (1). The DFT calculation at the B3LYP/6-31G$^*$//MPWB1K/6-31G$^*$ level revealed that 3-D-Ala-Gly was 2.2 kcal/mol more stable than 3-L-Ala-Gly. The considerable steric hindrance between the methyl group of the alanine and the imine CH moiety of the receptor seems to be the main contributing factor for the thermodynamic preference.

단열 특성을 고려한 가정용 소형 멀티 냉동시스템의 성능에 관한 연구 (Performance Evaluations of a Residential Small Multi-Refrigeration System Considering the Adiabatic Characteristics)

  • 이무연;;;김상욱;김용찬
    • 대한기계학회논문집B
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    • 제31권10호
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    • pp.868-875
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    • 2007
  • In this paper, performance characteristics of a domestic kim-chi refrigerator are predicted by using the theoretical calculation and experimental method. The objective of this study is to find out the best design points of the refrigeration system and to calculate an adiabatic characteristic with variation to outdoor temperatures. The best design points such as refrigerant charge amount and capillary length were experimentally investigated. And the theoretical calculation is conducted as a function of calculation parameters and outdoor temperatures. According to this study results, the best design points of a refrigeration system with 2 rooms are 95 g of a refrigerant charge amount and 3500 / 3500 mm of capillary lengths and the best design points of a refrigeration system with 3 rooms are 100 g of a refrigerant charge amount and 3000/3000/6000mm of capillary lengths. And the power consumptions of both systems are 13.57 and 18.2 kWh/month. The worst part of heat loss is a front side of a domestic kim-chi refrigerator body.

Analysis and comparison of the 2D/1D and quasi-3D methods with the direct transport code SHARK

  • Zhao, Chen;Peng, Xingjie;Zhang, Hongbo;Zhao, Wenbo;Li, Qing;Chen, Zhang
    • Nuclear Engineering and Technology
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    • 제54권1호
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    • pp.19-29
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    • 2022
  • The 2D/1D method has become the mainstream of the direct transport calculation considering the balance of accuracy and efficiency. However, the 2D/1D method still suffers from stability issues. Recently, a quasi-3D method has been proposed with axial Legendre expansion. Analysis and comparison of the 2D/1D and quasi-3D method is conducted in theory from the equation derivation. Besides, the C5G7 benchmark, the KUCA benchmark and the macro BEAVRS benchmark are calculated to verify the theory comparisons of these two methods with the direct transport code SHARK. All results show that the quasi-3D method has better stability and accuracy than the 2D/1D method with worse efficiency and memory cost. It provides a new option for direct transport calculation with the quasi-3D method.

Laboratory-scale Experiment and Model Calculation on the Washout Mechanism of Asian Dust Particles

  • Ma, Chang-Jin;Kim, Ki-Hyun
    • Asian Journal of Atmospheric Environment
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    • 제7권3호
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    • pp.161-168
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    • 2013
  • In this study, an investigation was conducted to assess the washout mechanism of Asian dust particles through both laboratory-scale experiment and model calculation. To artificially simulate Asian dust particle, $CaCO_3$ particles were generated inside an experimental chamber. They were then scavenged by the artificial rain drops. The abundant $CaCO_3$ particles scavenged on a rain drop were successively identified by SEM observation. The concentrations of Ca in residual $CaCO_3$ particles on individual droplet were quantified by PIXE analysis. There was a tendency toward a high accumulation of Ca on a relatively small drop (e.g., <1.0 mm diameter). It is thus suggested that smaller rain drops can effectively scavenge a significant amount of Asian dust particles in ambient atmosphere. The numerical estimation can account for 92.1% and 83.2% of Ca that were measured in small (<1.0 mm diameter) and large (>2.0 mm diameter) size drops, respectively.

300 kN 현수애자의 설계를 위한 전계해석에 관한 연구 (A Study on Electric Field Analysis for 300 kN Suspension Insulator Design)

  • 김익수;최재구;문인욱;장원률;주병수
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 1999년도 하계학술대회 논문집 E
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    • pp.2047-2050
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    • 1999
  • This paper presents some of the results of current research on 300 kN Suspension Insulator Design. In this paper, authors first used 2-dimensional field calculation to solve the electric field distribution of an insulator unit and insulator strings, and then 3-dimensional field calculation in order to overcome the shortcomings of 2-dimensional field calculation in which an axis-symmetrical coordinate has been used. And, it was found that the environmental configuration of 300 kN Suspension Insulator String gives great roles to the field distribution of the insulators.

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