• Title/Summary/Keyword: 질량 분석

Search Result 2,064, Processing Time 0.04 seconds

Water temperature prediction of Daecheong Reservoir by a process-guided deep learning model (역학적 모델과 딥러닝 모델을 융합한 대청호 수온 예측)

  • Kim, Sung Jin;Park, Hyungseok;Lee, Gun Ho;Chung, Se Woong
    • Proceedings of the Korea Water Resources Association Conference
    • /
    • 2021.06a
    • /
    • pp.88-88
    • /
    • 2021
  • 최근 수자원과 수질관리 분야에 자료기반 머신러닝 모델과 딥러닝 모델의 활용이 급증하고 있다. 그러나 딥러닝 모델은 Blackbox 모델의 특성상 고전적인 질량, 운동량, 에너지 보존법칙을 고려하지 않고, 데이터에 내재된 패턴과 관계를 해석하기 때문에 물리적 법칙을 만족하지 않는 예측결과를 가져올 수 있다. 또한, 딥러닝 모델의 예측 성능은 학습데이터의 양과 변수 선정에 크게 영향을 받는 모델이기 때문에 양질의 데이터가 제공되지 않으면 모델의 bias와 variation이 클 수 있으며 정확도 높은 예측이 어렵다. 최근 이러한 자료기반 모델링 방법의 단점을 보완하기 위해 프로세스 기반 수치모델과 딥러닝 모델을 결합하여 두 모델링 방법의 장점을 활용하는 연구가 활발히 진행되고 있다(Read et al., 2019). Process-Guided Deep Learning (PGDL) 방법은 물리적 법칙을 반영하여 딥러닝 모델을 훈련시킴으로써 순수한 딥러닝 모델의 물리적 법칙 결여성 문제를 해결할 수 있는 대안으로 활용되고 있다. PGDL 모델은 딥러닝 모델에 물리적인 법칙을 해석할 수 있는 추가변수를 도입하며, 딥러닝 모델의 매개변수 최적화 과정에서 Cost 함수에 물리적 법칙을 위반하는 경우 Penalty를 추가하는 알고리즘을 도입하여 물리적 보존법칙을 만족하도록 모델을 훈련시킨다. 본 연구의 목적은 대청호의 수심별 수온을 예측하기 위해 역학적 모델과 딥러닝 모델을 융합한 PGDL 모델을 개발하고 적용성을 평가하는데 있다. 역학적 모델은 2차원 횡방향 평균 수리·수질 모델인 CE-QUAL-W2을 사용하였으며, 대청호를 대상으로 2017년부터 2018년까지 총 2년간 수온과 에너지 수지를 모의하였다. 기상(기온, 이슬점온도, 풍향, 풍속, 운량), 수문(저수위, 유입·유출 유량), 수온자료를 수집하여 CE-QUAL-W2 모델을 구축하고 보정하였으며, 모델은 저수위 변화, 수온의 수심별 시계열 변동 특성을 적절하게 재현하였다. 또한, 동일기간 대청호 수심별 수온 예측을 위한 순환 신경망 모델인 LSTM(Long Short-Term Memory)을 개발하였으며, 종속변수는 수온계 체인을 통해 수집한 수심별 고빈도 수온 자료를 사용하고 독립 변수는 기온, 풍속, 상대습도, 강수량, 단파복사에너지, 장파복사에너지를 사용하였다. LSTM 모델의 매개변수 최적화는 지도학습을 통해 예측값과 실측값의 RMSE가 최소화 되로록 훈련하였다. PGDL 모델은 동일 기간 LSTM 모델과 동일 입력 자료를 사용하여 구축하였으며, 역학적 모델에서 얻은 에너지 수지를 만족하지 않는 경우 Cost Function에 Penalty를 추가하여 물리적 보존법칙을 만족하도록 훈련하고 수심별 수온 예측결과를 비교·분석하였다.

  • PDF

Investigation of the Copper (Cu) Binding Site on the Amyloid beta 1-16 (Aβ16) Monomer and Dimer Using Collision-induced Dissociation with Electrospray Ionization Tandem Mass Spectrometry

  • Ji Won Jang;Jin Yeong Lim;Seo Yeon Kim;Jin Se Kim;Ho-Tae Kim
    • Mass Spectrometry Letters
    • /
    • v.14 no.4
    • /
    • pp.153-159
    • /
    • 2023
  • The copper ion, Cu(II), binding sites for amyloid fragment Aβ1-16 (=Aβ16 ) were investigated to explain the biological activity difference in the Aβ16 aggregation process. The [M+Cu+(z-2)H]z+ (z = 2, 3 and 4, M = Aβ16 monomer) and [D+Cu+(z-2)H]z+ (z = 3 and 5, D = Aβ16 dimer) structures were investigated using electrospray ionization (ESI) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Fragment ions of the [M+Cu+(z-2)H]z+ and [D+Cu+(z-2)H]z+ complexes were observed using collision-induced dissociation MS/MS. Three different fragmentation patterns (fragment "a", "b", and "y" ion series) were observed in the MS/MS spectrum of the (Aβ16 monomer or dimer-Cu) complex, with the "b" and "y" ion series regularly observed. The "a" ion series was not observed in the MS/MS spectrum of the [M+Cu+2H]4+ complex. In the non-covalent bond dissociation process, the [D+Cu+3H]5+ complex separated into three components ([M+Cu+H]3+, M3+, and M2+), and the [M+Cu]2+ subunit was not observed. The {M + fragment ion of [M+Cu+H]3+} fragmentation pattern was observed during the covalent bond dissociation of the [D+Cu +3H]5+ complex. The {M + [M+Cu+H]3+} complex geometry was assumed to be stable in the [D+Cu+3H]5+ complex. The {M + fragment ion of [M+Cu]2+} fragmentation pattern was also observed in the MS/MS spectrum of the [D+Cu+H]3+ complex. The {M + [y9+Cu]1+} fragment ion was the characteristic fragment ion. The [D+Cu+H]3+ and [D+Cu+3H]5+ complexes were likely to form a monomer-monomer-Cu (M-M-Cu) structure instead of a monomer-Cu-monomer (M-Cu-M) structure.

A Study on Real-Time Monitoring for Moisture Measurement of Organic Samples inside a Drying Oven using Arduino Based on Open-Source (오픈 소스 기반의 아두이노를 이용한 건조기 내 유기 시료의 실시간 수분측정 모니터링에 관한 연구)

  • Kim, Jeong-hun
    • Journal of Venture Innovation
    • /
    • v.5 no.2
    • /
    • pp.85-99
    • /
    • 2022
  • Dryers becoming commercially available for experimental and industrial use are classified to general drying oven, hot-air dryer, vacuum dryer, freezing dryer, etc. and kinds of them are various from the function, size and volume, etc. But the moisture measurement is not applied although it is important factor for the quality control and the performance improvement of products, and then now is very passive because the weight is weighed arbitrarily after dry-end. Generally the method for measuring moisture is divided by a direct measurement method and a indirect measurement method, and the former such as the change of weight or volume on the front and rear of separation of moisture, etc. is mainly used. Relatively a indirect measurement is very limited to apply due to utilize measurement apparatuses using temperature conductivity and micro-wave etc. In this research, we easily designed the moisture measurement system using the open-source based Arduino, and monitored moisture fluctuations and weight profiles in the real-time without the effect of external environment. Concretely the temperature-humidity and load cell sensors were packaged into a drying oven and the various change values were measured, and their sensors capable to operate 60℃ and 80℃ were selected to suitable for the moisture sensitive materials and the food dry. And also the performance safety using the organic samples of banana, pear, sawdust could be secured because the changes of evaporation rate as the dry time and temperature, and the measurement values of load cell appeared stable response characteristics through repeated experiments. Hereafter we judge that the reliability can be improved increasingly through the expansion of temperature-humidity range and the comparative analysis with CFD(Computational Fluid Dynamics) program.

The optical and thermal properties of Li2O-BaO-Ga2O3-TeO2-TiO2-GeO2 mid-infrared transmission glass (Li2O-BaO-Ga2O3-TeO2-TiO2-GeO2 계 중적외선 투과 유리의 조성에 따른 광학적, 열적 특성)

  • Minsung Hwang;Jaeyeop Chung
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.33 no.6
    • /
    • pp.250-254
    • /
    • 2023
  • In this study, Li2O-BaO-Ga2O3-TeO2-TiO2-GeO2 glasses with high transmittance in mid-infrared region and high refractive indices were successfully synthesized. The relationship between glass properties and glass composition was analyzed. In Li2O-BaO-Ga2O3-TeO2-TiO2-GeO2 glass system, as increasing TeO2 concentration, the refractive index increases and the glass transition temperature decreases. In addition, as increasing BaO concentration, the refractive index increases without decrease of Abbe number. The IR-cut off wavelength shifted to the longer wavelength with increasing TeO2 and BaO contents due to their large molecular weight. The glass transition temperature significantly decreases when BaO was replaced with Li2O.

Ferulic Acid Protects INS-1 Pancreatic β Cells Against High Glucose-Induced Apoptosi (INS-1 췌장 베타 세포에서 ferulic acid의 당독성 개선 효과)

  • Jae Eun Park;Ji Sook Han
    • Journal of Life Science
    • /
    • v.34 no.1
    • /
    • pp.9-17
    • /
    • 2024
  • Diabetes mellitus (DM) is one of the main global health problems. Chronic exposure to hyperglycemia can lead to cellular dysfunction that may become irreversible over time, a process that is termed glucose toxicity. Our perspective about glucose toxicity as it pertains to the pancreatic β-cell is that the characteristic decreases in insulin secretion are caused by regulated apoptotic gene expression. In this study, we examined whether ferulic acid protects INS-1 pancreatic cells against high glucose-induced apoptosis. High glucose concentration (30 mM) induced glucotoxicity and death of INS-1 pancreatic β cells. However, treatment with 1, 5, 10, or 20 μM ferulic acid increased the cell viability in a concentration-dependent manner. Treatment with ferulic acid dose-dependently decreased the intracellular levels of reactive oxygen species, thiobarbituric acid reactive substances, and nitric oxide in INS-1 pancreatic β cells pretreated with high glucose. These effects influence the apoptotic pathway, increasing the expression of the anti-apoptotic protein Bcl-2 and reducing the levels of pro-apoptotic proteins, including Bax, cytochrome C, and caspase 9. Annexin V/propidium iodide staining indicated that ferulic acid significantly reduced high glucose-induced apoptosis. These results demonstrate that ferulic acid is a potential therapeutic agent to protect INS-1 pancreatic β cells against high glucose-induced apoptosis.

Non-clinical Trials using 14C-Acetaminophen to Validate Biomedical Accelerator Mass Spectrometry System (14C-아세트아미노펜 비임상시험을 통한 생체시료 분석용 가속질량분석기의 검증)

  • Jinho Song;Jae Hoon Shim;Jung Bae Park;Chang Su Yeo;Soo Hyeon Bae;Min Sun Choi;Mi Hye Kwon;Kyeong Min Kim
    • Journal of Radiation Industry
    • /
    • v.17 no.2
    • /
    • pp.127-134
    • /
    • 2023
  • Pharmacokinetic (PK) data provide pivotal information in drug development, and they are usually first studied in the preclinical stage using various animals. However, quite often, animal PK data may not match with human PK, especially in metabolites. Thus, most regulatory agencies in the world make it mandatory to obtain metabolite information using 14C radiolabeled drug in human for small molecule drug candidates. However, such studies are expensive and time consuming and they are usually done at the end of Phase II trials using ~3.7 MBq of 14C labeled drug in a limited number of human subjects. Introduction of accelerator mass spectrometry (AMS) in this kind of study has revolutionized it. Since AMS can measure 14C level as close as natural abundance, it can quantify the amounts of 14C labeled drugs and their metabolites produced in human body that consumes less than the amount of 0.0037 MBq of 14C labeled drug, a very safe level of radioactive dose in human. Therefore, it is now possible to conduct human 14C studies safely in early clinical trials without spending hefty amount of money and time. Korea Radioisotope Center for Pharmaceuticals(KRICP) at Korea Institute of Biological and Medical Sciences(KIRAMS) has established an AMS facility in 2018, housing a 0.5MV AMS manufactured at the US National Electrostatics Corps (NEC). The AMS instrument has been validated using various standard samples that have been prepared at Lawrence Livermore National Laboratory in the US, a worldly reputable provider of AMS standards. In this paper, we present a mass balance study for acetaminophen in rats using AMS and prove that the study results are equivalent with those of literature, which shows the AMS facilities at KRICP has successfully installed and be ready to be used in the various PK studies using 14C labelled compounds for new drug development.

Analysis of Gas Emissions and Power Generation for Co-firing Ratios of NG, NH3, and H2 Based on NGCC (NGCC 기반 천연가스, 암모니아, 수소 혼소 발전 비율에 따른 CO2와 NOx 배출량 및 전력 생산량 분석)

  • Inhye Kim;Jeongjae Oh;Taesung Kim;Minsuk Im;Sunghyun Cho
    • Korean Chemical Engineering Research
    • /
    • v.62 no.3
    • /
    • pp.225-232
    • /
    • 2024
  • The reduction of CO2 emissions in the energy production sector, which accounts for 86.8% of total greenhouse gas emissions, is important to achieve carbon-neutrality. At present, 60% of total power generation in South Korea is coal and natural gas. Replacing fossil fuel with renewable energy such as wind and solar has disadvantages of unstable energy supply and high costs. Therefore, this study was conducted through the co-firing of natural gas, ammonia and hydrogen utilizing the natural gas combined cycle process. The results demonstrated reduction in CO2 emissions and 34%~238% of the power production compared to using only natural gas. Case studies on mass fractions of natural gas, ammonia and hydrogen indicated that power production and NOx emissions were inversely proportional to the ammonia ratio and directly proportional to the hydrogen ratio. This study provides guidelines for the use of various fuel mixtures and economic analysis in co-firing power generation.

Spalling Prevention of High Strength concrete Corresponding to the Various Heating Curves (가열온도곡선 변화에 따른 고강도 콘크리트의 폭렬방지특성)

  • Han, Cheon-Goo;Pei, Chang-Chun
    • Journal of the Korea institute for structural maintenance and inspection
    • /
    • v.13 no.3 s.55
    • /
    • pp.127-134
    • /
    • 2009
  • This study investigated their properties of spalling resistance and residual compressive strength after fire test corresponding to various ISO, RABT heating curves, and contents of hybrid organic fiber of high strength concrete. The results were summarized as following. As fundamental characters of concrete with hybrid organic fiber, the flowability was directly declined as the increase of fiber contents, and air contents were decreased or increased a little bit, but there was not big difference. The compressive strength was gradually declined sluggishly at 28 days. As properties of fire resistance, in case of RABT heating curves, compare with ISO heating curves a spalling aspect showed till range that has much contents of hybrid organic fiber, but they are mostly peeling spalling, which means spalling aspect didn't happen to inside. In conclusion, in case of W/B 25% high strength concrete, the spalling was prevented over 0.04% of contents of fiber at ISO heating curve and over 0.10% of contents of fiber at the RABT heating curve. In case of spalling was prevented, mass reduction rate according to the change of heating temperature curves showed around 7% at ISO heating curves and around 9% at RABT heating curves. The residual compressive strength rate corresponding to the change of heating temperature curves showed 50%~60% at ISO heating temperature curves and 30%~35% at RABT heating temperature curves in case of spalling was prevented.

Determination of Residue Levels of Ethyl Carbamate in Alcoholic Beverages by Gas Chromatography/Tandem Mass Spectrometry (GC/MS/MS) (가스크로마토그래피/질량분석기(GC/MS/MS)를 이용한 주류 중 에틸카바메이트 잔류량 조사)

  • Kim, Dong-Ho;Jang, Han-Sub;Choi, Gu-Il;Kim, Hyun-Jung;Kim, Ho-Jin;Kim, Hyo-Lin;Kim, Keun-Sung
    • Journal of Food Hygiene and Safety
    • /
    • v.28 no.1
    • /
    • pp.63-68
    • /
    • 2013
  • Ethyl carbamate (EC) is a contaminant generated in the fermentation processes of various fermented foods. In this study, residue levels of EC in 95 alcoholic beverage samples were determined by using Gas Chromatography/Tandem Mass Spectrometry (GC/MS/MS). All the samples were purified by a liquid-liquid extraction (LLE) method using dichloromethane. The LLE method enables an improvement in time and cost to detection and specificity over the conventional extraction methods. The limits of detection and quantification (LOD and LOQ) to analyze EC were 1.3 and 4.0 ng/mL, respectively. The recovery rates of EC were ranged from 90.0 to 97.5% at the levels of 50, 100, and 500 ug/L. Among traditional grain-based alcoholic beverage samples (n = 34), the average residue levels of EC in takju, yakju, and cheongju were 0.63, 7.01, and 14.11 ug/L, respectively. Among fruit-based alcoholic beverage samples (n = 48), those of EC in japanese apricot spirits, bokbunjaju, grape wines, and other fruit wines were 79.18, 1.66, 2.64, and 2.39 ug/L, respectively. Among distilled or diluted alcoholic beverage samples (n = 13), those of EC in soju (distilled or diluted), general distillates, liquors, and brandies were 0, 3.30, 8.20, and 8.52 ug/L, respectively. Therefore, this study reports that the residue levels of EC in the alcoholic beverages, distributed in the current domestic markets, did not reach its maximum allowed levels of 30 and 400 ug/L established for grape and fruit wines in Canada, respectively.

Development of an Analytical Method for the Determination of Pyriofenone residue in Agricultural Products using HPLC-UVD (HPLC-UVD를 이용한 농산물 중 살균제 pyriofenone 분석법 확립)

  • Park, Hyejin;Kim, HeeJung;Do, Jung-Ah;Kwon, Ji-Eun;Yoon, Ji-Young;Lee, Ji-Young;Chang, Moon-Ik;Rhee, Gyu-Seek
    • The Korean Journal of Pesticide Science
    • /
    • v.18 no.2
    • /
    • pp.79-87
    • /
    • 2014
  • Pyriofenone is an aryl phenyl ketone fungicide that is newly registered in Korea in 2013 to control powdery mildew on food. The objective of this study was to develop reliable and sensitive analytical method for determination of pyriofenone residue in agricultural products for ensuring the food safety. The pyriofenone residues in all samples(Korean melon, pepper, potato, mandarin, soybean, and hulled rice) were extracted with acetonitrile, partitioned with dichloromethane, and then purified with a silica cartridge. The purified samples were analyzed by HPLC-UVD and confirmed with LC-MS. The linear range of pyriofenone was 0.05~5 mg/kg with the correlation coefficient ($r^2$) > 0.999. Average recoveries of pyriofenone ranged from 72.8% to 99.5% at the spiked level of 0.05 and 0.5 mg/kg, while the relative standard deviation was 2.3%~6.4%. In addition, the limit of detection and limit of quantification were 0.01 and 0.05 mg/kg, respectively. The results revealed that the developed and validated analytical method was suitable for pyriofenone determination in agricultural products.