• Title/Summary/Keyword: Infrared spectroscopy

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Discrimination of African Yams Containing High Functional Compounds Using FT-IR Fingerprinting Combined by Multivariate Analysis and Quantitative Prediction of Functional Compounds by PLS Regression Modeling (FT-IR 스펙트럼 데이터의 다변량 통계분석을 이용한 고기능성 아프리칸 얌 식별 및 기능성 성분 함량 예측 모델링)

  • Song, Seung Yeob;Jie, Eun Yee;Ahn, Myung Suk;Kim, Dong Jin;Kim, In Jung;Kim, Suk Weon
    • Horticultural Science & Technology
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    • v.32 no.1
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    • pp.105-114
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    • 2014
  • We established a high throughput screening system of African yam tuber lines which contain high contents of total carotenoids, flavonoids, and phenolic compounds using ultraviolet-visible (UV-VIS) spectroscopy and Fourier transform infrared (FT-IR) spectroscopy in combination with multivariate analysis. The total carotenoids contents from 62 African yam tubers varied from 0.01 to $0.91{\mu}g{\cdot}g^{-1}$ dry weight (wt). The total flavonoids and phenolic compounds also varied from 12.9 to $229{\mu}g{\cdot}g^{-1}$ and from 0.29 to $5.2mg{\cdot}g^{-1}$dry wt. FT-IR spectra confirmed typical spectral differences between the frequency regions of 1,700-1,500, 1,500-1,300 and $1,100-950cm^{-1}$, respectively. These spectral regions were reflecting the quantitative and qualitative variations of amide I, II from amino acids and proteins ($1,700-1,500cm^{-1}$), phosphodiester groups from nucleic acid and phospholipid ($1,500-1,300cm^{-1}$) and carbohydrate compounds ($1,100-950cm^{-1}$). Principal component analysis (PCA) and subsequent partial least square-discriminant analysis (PLS-DA) were able to discriminate the 62 African yam tuber lines into three separate clusters corresponding to their taxonomic relationship. The quantitative prediction modeling of total carotenoids, flavonoids, and phenolic compounds from African yam tuber lines were established using partial least square regression algorithm from FT-IR spectra. The regression coefficients ($R^2$) between predicted values and estimated values of total carotenoids, flavonoids and phenolic compounds were 0.83, 0.86, and 0.72, respectively. These results showed that quantitative predictions of total carotenoids, flavonoids, and phenolic compounds were possible from FT-IR spectra of African yam tuber lines with higher accuracy. Therefore we suggested that quantitative prediction system established in this study could be applied as a rapid selection tool for high yielding African yam lines.

Basic Study on the Development of Analytical Instrument for Liquid Pig Manure Component Using Near Infra-Red Spectroscopy (근적외선 분광법을 이용한 돈분뇨 액비 성분분석기 개발을 위한 기초 연구)

  • Choi, D.Y.;Kwag, J.H.;Park, C.H.;Jeong, K.H.;Kim, J.H.;Song, J.I.;Yoo, Y.H.;Chung, M.S.;Yang, C.B.
    • Journal of Animal Environmental Science
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    • v.13 no.2
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    • pp.113-120
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    • 2007
  • This study was conducted to measure Nitrogen(N), Phosphate($P_2O_5$), Potassium ($K_2O$), Organic matter(OM) and Moisture content of liquid pig manure by Near Infrared Spectroscopy(NIRS) and to develop an alternative and analytical instrument which are used for measurement of N, $P_2O_5$, $K_2O$, OM, and Moisture contents for liquid pig manure. The liquid pig manure sample's transmittance spectra were measured with a NIRS in the wavelength range of 400 to 2,500 nm. Multiple linear regression and partial least square regression were used for calibrations. The correlation coefficient(RSQ) and standard error of calibration(SEC) obtained for nitrogen were 0.9190 and 2.1649, respectively. The RSQ for phosphate, potassium, organic matter and moisture contents were 0.9749, 0.5046, 0.9883 and 0.9777, and the SEC were 0.5019, 1.9252, 0.1180 and 0.0789, respectively. These results are indications of the rapid determination of components of liquid pig manure through the NIR analysis. The simple analytical instrument for liquid pig manure consisted of a tungsten halogen lamp for light source, a sample holder, a quartz cell, a SM 301 spectrometer for spectrum analyzer, a power supply, an electronics, a computer and a software. Results showed that the simple analytical instrument that was developed can approximately predict the phosphate, organic matter and moisture content of the liquid pig manure when compared to the analysis taken by NIRS. The low predictability value of potassium however, needs further investigation. Generally, the experiment proved that the simple analytical instrument was reliable, feasible and practical for analyzing liquid pig manure.

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A STUDY ON THE DEGREE OF POLYMERIZATION OF AUTOPOLYMERIZED RESIN FOR REMOVABLE ORTHODONTIC APPLIANCE ACCORDING TO CURING TIME AND CURING METHOD (중합시간과 중합방법에 따른 자가중합형 상교정용 레진의 중합률의 비교에 관한 연구)

  • Yoo, Jong-Wook;Jang, Ki-Taeg;Kim, Chong-Chul
    • Journal of the korean academy of Pediatric Dentistry
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    • v.26 no.2
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    • pp.296-309
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    • 1999
  • Autopolymerized resin facilitates a more rapid and easier means for the construction of removable orthodontic appliances than heat cured resin. But many reports reveal that more unreacted monomer is found in autopolymerized resin. It is very important to achieve maximum degree of polymerization because if polymerization is inadequate, high level of unreacted monomer has been shown to adversely affect mechanical and physical properties, and also the question of allergy or toxicity to methylmethacrylate must be considered. The purpose of this study was to compare the degree of polymerization according to curing method and curing time. Five groups were desinged ; Group 1 was polymerizied at room temperature($28^{\circ}C$) ; Group 2 in $28^{\circ}C$ water ; Group 3 in $28^{\circ}C$ water under 30psi pressure ; Group 4 in $43^{\circ}C$ water ; Group 5 in $43^{\circ}C$ water under 30psi pressure for 10 minutes, 1 hour 12 hours, 1 day and 3 days. The degree of polymerization was measured by means of Fourier Transform Infrared spectroscopy. The results were as follows: 1. The degree of polymerization increased constantly in accordance with curing time in all groups and after curing for 10 minutes, Group 1 showed significantly higher degree of polymerization after 12 hours and Group 2, Group 3, Group 4, Group 5 after 1 hour(p<0.05). 2. The degree of polymerization decreased in the order of Group 5, Group 4, Group 3, Group 2, Group 1 except when the curing time was 1 hour and 12 hours(p<0.05). 3. The degree of polymerization of Group 4, Group 5 cured at $43^{\circ}C$ showed significantly higher degree of polymerization than Group 2, Group 3 at $28^{\circ}C$ except when the curing time was 1 day(p<0.05). 4. Among Group 2, Group 3 and Group 4, Group 5, the pressure had no effect on polymerization except when the curing time was 12 hours(p<0.05). 5. Between Group 1 and Group 2, the method of storage had no effect on polymerization except when the curing time was 1 hour(p<0.05).

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The study of quantitative analytical method for pH and moisture of Hanji record paper using non-destructive FT-NIR spectroscopy (비파괴 분석 방법인 푸리에 변환 근적외선 분광 분석을 이용한 한지 기록물의 산성도 및 함수율 정량 분석 연구)

  • Shin, Yong-Min;Park, Soung-Be;Lee, Chang-Yong;Kim, Chan-Bong;Lee, Seong-Uk;Cho, Won-Bo;Kim, Hyo-Jin
    • Analytical Science and Technology
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    • v.25 no.2
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    • pp.121-126
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    • 2012
  • It is essential to evaluate the quality of Hanji record paper without damaging the record paper by previous destructive methods. The samples were Hanji record paper produced in the 1900s. Near-infrared (NIR) spectrometer was used as a non destructive method for evaluating the quality of record papers. Fourier transform (FT) spectrometer was used with 12,500 to 4,000 $cm^{-1}$ wavenumber range for quantitative analysis and it has high accuracy and good signal-to-noise ratio. The acidity and moisture content of Hanji record paper were measured by integrating sphere as diffuse reflectance type. The acidity (pH) of chemical factors as a quality evaluated factor of Hanji was correlated to NIR spectrum. The NIR spectrum was pretreated to obtain the coefficients of optimum correlation. Multiplicative scatter correction (MSC) and First derivative of Savitzky-Golay were used as pretreated methods. The coefficients of optimum correlation were calculated by PLSR (partial least square regression). The correlation coefficients ($R^2$) of acidity had 0.92 on NIR spectra without pretreatment. Also the standard error of prediction (SEP) of pH was 0.24. And then the NIR spectra with pretreatment would have better correlation coefficient ($R^2$ = 0.98) and 0.19 as SEP on pH. For moisture contents, the linearity correlation without pretreatment was higher than the case with pretreatment (MSC, $1^{st}$ derivative). As the best result, the $R^2$ was 0.99 and SEP was 0.45. This indicates that it is highly proper to evaluate the quality of Hanji record papers speedily with integrated sphere and FT NIR analyzer as a non-destructive method.

Characterization of Synthesized Carbonate and Sulfate Green Rusts: Formation Mechanisms and Physicochemical Properties (합성된 탄산염 및 황산염 그린 러스트의 형성 메커니즘과 이화학적 특성 규명)

  • Lee, Seon Yong;Choi, Su-Yeon;Chang, Bongsu;Lee, Young Jae
    • Korean Journal of Mineralogy and Petrology
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    • v.35 no.2
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    • pp.111-123
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    • 2022
  • Carbonate green rust (CGR) and sulfate green rust (SGR) commonly occur in nature. In this study, CGR and SGR were synthesized through co-precipitation, and their formation mechanisms and physicochemical properties were investigated. X-ray diffraction (XRD) and Rietveld refinement showed both CGR and SGR with layered double hydroxide structure were successfully synthesized without any secondary phases under each synthetic condition. Refined structural parameters (unit cell) for two green rusts were a (=b) = 3.17 Å and c = 22.52 Å for CGR and a (=b) = 5.50 Å and c = 10.97 Å for SGR with the crystallite size 57.8 nm in diameter from (003) reflection and 40.1 nm from (001) reflections, respectively. Scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS) results showed that both CGR and SGR had typical hexagonal plate-like crystal morphologies but their chemical composition is different in the content of C and S. In addition, Fourier transform infrared (FT-IR) spectroscopy analysis revealed that carbonate (CO32-) and sulfate (SO42-) molecules were occupied as interlayer anions of CGR and SGR, respectively. These SEM/EDS and FT-IR results were in good agreement with XRD results. Changes in the solution chemistry (i.e., pH, Eh and residual iron concentrations (Fe(II):Fe(III)) of the mixed solution) were observed as a function of the injection time of hydroxyl ion (OH-) into the iron solution. Three different stages were observed in the formation of both CGR and SGR; precursor, intermediator, and green rust in the formation of both CGR and SGR. This study provides co-precipitation methods for CGR and SGR in a way of the stable synthesis. In addition, our findings for the formation mechanisms of the two green rusts and their physicochemical properties will provide crucial information with researches and industrials in utilizing green rust.

Metabolic Discrimination of Papaya (Carica papaya L.) Leaves Depending on Growth Temperature Using Multivariate Analysis of FT-IR Spectroscopy Data (FT-IR 스펙트럼 다변량통계분석을 이용한 파파야(Carica papaya L.)의 생육온도 변화에 따른 대사체 수준 식별)

  • Jung, Young Bin;Kim, Chun Hwan;Lim, Chan Kyu;Kim, Sung Chel;Song, Kwan Jeong;Song, Seung Yeob
    • Journal of the Korean Society of International Agriculture
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    • v.31 no.4
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    • pp.378-383
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    • 2019
  • To determine whether FT-IR spectral analysis based on multivariate analysis for whole cell extracts can be used to discriminate papaya at metabolic level. FT-IR spectral data from leaves were analyzed by principal component analysis (PCA), partial least square discriminant analysis (PLS-DA) and hierarchical clustering analysis (HCA). FT-IR spectra confirmed typical spectral differences between the frequency regions of 1,700-1,500, 1,500-1,300 and 1,100-950 cm-1, respectively. These spectral regions were reflecting the quantitative and qualitative variations of amide I, II from amino acids and proteins (1,700-1,500 cm-1), phosphodiester groups from nucleic acid and phospholipid (1,500-1,300 cm-1) and carbohydrate compounds (1,100-950 cm-1). The result of PCA analysis showed that papaya leaves could be separated into clusters depending on different growth temperature. In this case, showed discrimination confirmed according to metabolite content of growth condition from papaya. And PLS-DA analysis also showed more clear discrimination pattern than PCA result. Furthermore, these metabolic discrimination systems could be applied for rapid selection and classification of useful papaya cultivars.

Dismantling and Restoration of the Celadon Stool Treasure with an Openwork Ring Design (보물 청자 투각고리문 의자의 해체 및 복원)

  • KWON, Ohyoung;LEE, Sunmyung;LEE, Jangjon;PARK, Younghwan
    • Korean Journal of Heritage: History & Science
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    • v.55 no.2
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    • pp.200-211
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    • 2022
  • The celadon stools with an openwork ring design which consist of four items as one collection were excavated from Gaeseong, Gyeonggi-do Province. The celadon stools were designated and managed as treasures due to their high arthistorical value in the form of demonstrating the excellence of celadon manufacturing techniques and the fanciful lifestyles during the Goryeo Dynasty. However, one of the items, which appeared to have been repaired and restored in the past, suffered a decline in aesthetic value due to the aging of the treatment materials and the lack of skill on the part of the conservator, raising the need for re-treatment as a result of structural instability. An examination of the conservation condition prior to conservation treatment found structural vulnerabilities because physical damage had been artificially inflicted throughout the area that was rendered defective at the time of manufacturing. The bonded surfaces for the cracked areas and detached fragments did not fit, and these areas and fragments had deteriorated because the adhesive trickled down onto the celadon surface or secondary contaminants, such as dust, were on the adhesive surface. The study identified the position, scope, and conditions of the bonded areas at the cracks UV rays and microscopy in order to investigate the condition of repair and restoration. By conducting Fourier-transform infrared spectroscopy(FT-IR) and portable x-ray fluorescence spectroscopy on the materials used for the former conservation treatment, the study confirmed the use of cellulose resins and epoxy resins as adhesives. Furthermore, the analysis revealed the addition of gypsum(CaSO4·2H2O) and bone meal(Ca10 (PO4)6(OH)2) to the adhesive to increase the bonding strength of some of the bonded areas that sustained force. Based on the results of the investigation, the conservation treatment for the artifact would focus on completely dismantling the existing bonded areas and then consolidating vulnerable areas through bonding and restoration. After removing and dismantling the prior adhesive used, the celadon stool was separated into 6 large fragments including the top and bottom, the curved legs, and some of the ring design. After dismantling, the remaining adhesive and contaminants were chemically and physically removed, and a steam cleaner was used to clean the fractured surfaces to increase the bonding efficacy of the re-bonding. The bonding of the artifact involved applying the adhesive differently depending on the bonding area and size. The cyanoacrylate resin Loctite 401 was used on the bonding area that held the positions of the fragments, while the acrylic resin Paraloid B-72 20%(in xylene) was treated on cross sections for reversibility in the areas that provided structural stability before bonding the fragments using the epoxy resin Epo-tek 301-2. For areas that would sustain force, as in the top and bottom, kaolin was added to Epo-tek 301-2 in order to reinforce the bonding strength. For the missing parts of the ring design where a continuous pattern could be assumed, a frame was made using SN-sheets, and the ring design was then modeled and restored by connecting the damaged cross section with Wood epos. Other restoration areas that occurred during bonding were treated by being filled with Wood epos for aesthetic and structural stabilization. Restored and filled areas were color-matched to avoid the feeling of disharmony from differences of texture in case of exhibitions in the future. The investigation and treatment process involving a variety of scientific technology was systematically documented so as to be utilized as basic data for the conservation and maintenance.

Surface Coating Treatment of Phosphor Powder Using Atmospheric Pressure Dielectric Barrier Discharge Plasma (대기압 유전체배리어방전 플라즈마를 이용한 형광체 분말 코팅)

  • Jang, Doo Il;Ihm, Tae Heon;Trinh, Quang Hung;Jo, Jin Oh;Mok, Young Sun;Lee, Sang Baek;Ramos, Henry J.
    • Applied Chemistry for Engineering
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    • v.25 no.5
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    • pp.455-462
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    • 2014
  • This work investigated the hydrophobic coating of silicate yellow phosphor powder in the form of divalent europium-activated strontium orthosilicate ($Sr_2SiO_4:Eu^{2+}$) by using an atmospheric pressure dielectric barrier discharge (DBD) plasma with argon as a carrier and hexamethyldisiloxane (HMDSO), toluene and n-hexane as precursors. After the plasma treatment of the phosphor powder, the lattice structure of orthosilicate was not altered, as confirmed by an X-ray diffractometer. The coated phosphor powder was characterized by scanning electron microscopy, fluorescence spectrophotometry and contact angle analysis (CAA). The CAA of the phosphor powder coated with the HMDSO precursor revealed that the water contact angle increased from $21.3^{\circ}$ to $139.5^{\circ}$ (max. $148.7^{\circ}$) and the glycerol contact angle from $55^{\circ}$ to $143.5^{\circ}$ (max. $145.3^{\circ}$) as a result of the hydrophobic coating, which indicated that hydrophobic layers were successfully formed on the phosphor powder surfaces. Further surface characterizations were performed by Fourier transform infrared spectroscopy and X-ray photoelectron spectrometry, which also evidenced the formation of hydrophobic coating layers. The phosphor coated with HMDSO exhibited a photoluminescence (PL) enhancement, but the use of toluene or n-hexane somewhat decreased the PL intensity. The results of this work suggest that the DBD plasma may be a viable method for the preparation of hydrophobic coating layer on phosphor powder.

A Study on the Adsorption of Carbonmonoxide on Silica Supported Ru-Fe Catalyst by Infrared Spectroscopy (실리카지지 루테늄-철 촉매에서 일산화탄소의 흡착에 관한 적외선 분광법을 이용한 연구)

  • Park, Sang-Youn;Ryu, Kwang-Sun;Yang, Sung-Bong;Yoon, Koo-Sik
    • Applied Chemistry for Engineering
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    • v.21 no.1
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    • pp.81-86
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    • 2010
  • On adsorbing carbon monoxide (CO) on the silica supported ruthenium/iron alloy ($Ru/Fe-SiO_2$) samples above mole ratio 9/1 of Ru/Fe five bands ($2138.7{\sim}2142.5cm^{-1}$, $2067.3{\sim}2073.1cm^{-1}$, $1976.7{\sim}2017.2cm^{-1}$, $1737.9{\sim}1799.3cm^{-1}$, $1625.7cm^{-1}$) were observed, and in $Ru/Fe-SiO_2$ samples below mole ratio 8/2 of Ru/Fe two bands ($1934.0{\sim}1990.2cm^{-1}$, $1625.7cm^{-1}$) were observed. The $2138.7{\sim}2142.5cm^{-1}$ bands, the $2067.3{\sim}2073.1cm^{-1}$ bands, and the $1988.3{\sim}2030.7cm^{-1}$ bands may be ascribed to stretching vibrations of CO molecules lineally bonded to the Ru atoms on supported Ru/Fe cluster surface, the $1737.9{\sim}1799.3cm^{-1}$ bands to stretching vibrations of CO molecules bridge bonded to the Ru atoms on supported Ru/Fe cluster surface or to stretching vibrations of CO molecules bonded to the Ru atoms on high Miller index planes, and the $1934.0{\sim}1990.2cm^{-1}$ bands to stretching vibrations of CO molecules lineally bonded to the Fe atoms on supported Ru/Fe cluster surface. The absorbances of the $1934.0{\sim}1990.2cm^{-1}$ bands in $Ru/Fe-SiO_2$ samples gradually increased with the increases of Ru/Fe mole ratio below the ratio of 8/2. This phenomena may be ascribed to the increases of Fe concentration of surface compared with the one of the sample and to the increases of surface area of supported Ru/Fe cluster according as increase of Ru/Fe mole ratio below the ratio of 8/2 compared with the $Fe-SiO_2$ sample.

Exposure Assessments of Environmental Contaminants in Ansim Briquette Fuel Complex, Daegu(III) - Contribution and distribution characteristics of air pollutants according to elemental carbon, crystalline silica, and stable isotope ratio - (대구 안심연료단지 환경오염물질 노출 평가(III) - 원소 탄소, 결정형 실리카 및 안정동위원소비를 이용한 오염원 기여율 및 분포특성 -)

  • Jung, Jong-Hyeon;Phee, Young-Gyu;Shon, Byung-Hyun;Bae, Hye-Jeong;Yang, Won-Ho;Kim, Ji-Young;Kim, Geun-Bae;Choi, Jong-Woo;Park, Sung-Jun;Lee, Kwan;Lim, Hyun-Sul
    • Journal of Korean Society of Occupational and Environmental Hygiene
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    • v.25 no.3
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    • pp.392-404
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    • 2015
  • Objectives: This study measured and analyzed the concentrations of crystalline silica, elemental carbon and the contribution ratio of pollutants which influence environmental and respiratory disease around the Ansim Briquette Fuel Complex in Daegu, Korea. Methods: We analyzed the crystalline silica and elemental carbon in the air according to FTIR(Fourier Transform Infrared Spectroscopy) and NIOSH(National Institute of Occupation Safety and Health) method 5040, respectively. In addition, lead stable isotopes, and carbon and nitrogen stable isotopes were analyzed using MC-ICP/MS(Multi Collector-Inductively Coupled Plasma/Mass Spectrometer), and IRMS(Isotope Ratio Mass Spectrometer), respectively. Results: The concentration of crystalline silica in the direct exposure area around the Ansim Briquette Fuel Complex was found to be $0.0014{\pm}0.0005mg/Sm^3$, but not to exceed the exposure standards of the ACGIH(American Conference of Governmental Industrial Hygienists). In the case of the autumn, the direct exposure area was found to show a level 2.5 times higher than the reference area, and on the whole, the direct exposure area was found to have a level 1.4 times higher than the reference area. The concentration of elemental carbon in the direct exposure area and in the reference area were found to be $0.0014{\pm}0.0006mg/Sm^3$, and $0.0006{\pm}0.0003mg/Sm^3$, respectively. This study confirmed the contribution ratio of coal raw materials to residentially deposited dusts in the area within 500 meters from the Ansim Briquette Fuel Complex and the surrounding area with a stable isotope ratio of 24.0%(0.7-62.7%) on average in the case of carbon and nitrogen, and 33.9%(26.6-54.1%) on average in the case of lead stable isotopes. Conclusions: This study was able to confirm correlations with coal raw materials used by the Ansim Briquette Fuel Complex and the surrounding area. The concentration of some pollutants, crystalline silica, and elemental carbon emitted to the direct-influence area around the Ansim Briquette Fuel Complex were relatively higher than in the reference area. Therefore, we need to impose continuous and substantive reduction countermeasures in the future to prevent particulate matter and coal raw materials in the study area. It is time for the local government and authorities to prepare active administrative methods such as the relocation of Ansim Briquette Fuel Complex.