• Title/Summary/Keyword: Chemical potential distribution

Search Result 213, Processing Time 0.027 seconds

멸균법이 atrazine의 분해과정에 미치는 영향 (Influence of Sterilization Methods on Atrazine Assimilation)

  • 정규혁;오승민
    • 한국환경보건학회지
    • /
    • 제23권1호
    • /
    • pp.1-7
    • /
    • 1997
  • We investigated the influence of various known sterilization methods on atrazine assimilation. The present study was designed to investigate the effect of autoclaving, sodium azide and mercuric chloride treatment on the assimilation of atrazine in soil and sediment. The sterilization reactor treated with sodium azide resulted in $^{14}CO_2$ generation and atrazine was rapidly disappeared from reactor through chemical reaction with sodium azide. These findings seem to indicate that sodium azide sterilization is not recommended for atrazine studies. In sample reactors autoclaved or treated with mercuric chloride, $^{14}CO_2$ generation was not detected and most of the disappeared atrazine was found to exist as hydroxyatrazine. These results suggested that autoclaving or mercuric chloride treatment could be effective sterilization methods. However, chemical properties(pH and redox potential) of soil and sediment were altered by any of the sterilization methods applied. So it was suspected that these altered properties could affect distribution and mineralization of atrazine in soil and sediment. In addition, both autoclaving and mercuric chloride treatment have altered $K_d$ values of hydroxyatrazine more significantly than those of atrazine. Consequently, although autoclaving and mercuric chloride treatment are effective sterilization methods, one must be careful in using them in practice as these methods may cause chemical degradation of both of atrazine and its metabolites and changes in chemical properties of soil and sediment. In conclusion, careful assessment of sterilization methods must be made for the degradation studies of chemicals in soil and sediment in order to minimize possible undesirable chemical degradation of sample and/or changes in physico-chemical properties of soil and sediment by the selected sterilization methods.

  • PDF

A DFT Study on the Polarizability of Di-substituted Arene (o-, m-, p-) Molecules used as Supercharging Reagents during Electrospray Ionization Mass Spectrometry

  • Abaye, Daniel A.;Aniagyei, Albert;Adedia, David;Nielsen, Birthe V.;Opoku, Francis
    • Mass Spectrometry Letters
    • /
    • 제13권3호
    • /
    • pp.49-57
    • /
    • 2022
  • During electrospray ionization mass spectrometry (ESI-MS) analysis of proteins, the addition of supercharging agents allows for adjusting the maximal charge state, affecting the charge state distribution, and increases the number of ions reaching the detector thus, improving signal detection. We postulate that in di-substituted arene isomers, molecules with higher polarizability values should generate greater interactions and hence elicit higher signal intensities. Polarizability is an electronic parameter which has been demonstrated to predict many chemical interactions. Many properties can be predicted based on charge polarization. Molecular polarizability is a vital descriptor for explaining intermolecular interactions. We employed DFT (density functional/Hartree-Fock hybrid model, B3LYP)-derived descriptors and computed molecular polarizability for ten disubstituted arene reagents, each set made up of three (ortho, meta, para) isomers, with reported use as supercharging reagents during ESI experiments. The atomic electronic inputs were ionization potential (IP), electron affinity (EA), electronegativity (𝛘), hardness (η), chemical potential (µ), and dipole moment (D). We determined that the para isomers showed the highest polarizability values in nine of the ten sets. There was no difference between the ortho and meta isomers. Polarizability also increased with increasing complexity of the substituents on the benzene ring. Polarizability correlated positively with IP, EA, 𝛘, η, and D but correlated negatively with chemical potential. This DFT study predicts that the para isomers of di-substituted arene isomers should elicit the strongest ESI responses. An experimental comparison of the three isomers, especially of larger supercharging molecules, could be carried out to establish this premise.

Physical, Chemical and Biomethanation Characteristics of Stratified Cattle-Manure Slurry

  • Ong, H.K.;Pullammanappallil, P.C.;Greenfield, P.F.
    • Asian-Australasian Journal of Animal Sciences
    • /
    • 제13권11호
    • /
    • pp.1593-1597
    • /
    • 2000
  • In the quiescent state, cattle-manure slurry stratifies into three discernible layers, namely a floating scum layer, a bottom sludge layer and a watery middle layer. The proportions of top (scum), middle and bottom (sludge) layers were approximately 20, 60 and 20% respectively of the volume of the whole slurry. Particulate matter from the different stratified layers was characterised for particle size distribution and cellulose, hemicellulose and lignin composition. Total solids concentrations of top, middle and bottom layers were 12.7, 2.8 and 7.4% respectively. Larger particles were found in the top layer compared with the bottom. The top layer contained the highest amounts of Neutral Detergent Fibre (NDF), Acid Detergent Fibre (ADF), cellulose and hemicellulose, but the lowest amount of Total Kjeldahl Nitrogen (TKN). The bottom layer contained the highest amounts of Acid Detergent Lignin (ADL) and TKN. With increase in particle size, there were increases in NDF, ADF, cellulose and hemicellulose, accompanied by decreases in ADL and TKN. Biochemical methane potential of the three layers was also measured. The top layer was found to produce the most methane with the middle layer producing the least. Biomethanation rate from the top layer was also the highest. Differences in biomethanation rates and biochemical methane potential were attributed to differences in chemical composition of the particulate matter. About 48%, 23% and 30% of the total chemical oxygen demand (COD) in the top, middle and bottom layers respectively of the slurry was found to be degradable.

입자 저감 및 pH가 ATO (안티몬도핑 산화주석)의 분산 특성에 미치는 영향 (The Effects of Size Reduction and pH on Dispersion Characteristics of ATO (Antimony-Doped Tin Oxide))

  • 김진훈;정의경;이상헌;한원희;이영석
    • 공업화학
    • /
    • 제21권3호
    • /
    • pp.311-316
    • /
    • 2010
  • 본 연구는 높은 분산 안정성을 유지하는 antimony-doped tin oxide (ATO) 분산액을 제조하기 위하여, 습식 볼밀법으로 분쇄시간에 따른 ATO의 입자크기, 입도분포, 분산성의 변화를 고찰하였다. 또한 각각의 습식 볼밀 처리된 ATO 분산액의 pH를 변화시켜 ATO 분산액의 분산 특성을 고찰하였다. 습식 볼밀 분쇄 조건에 의하여 ATO의 입자크기 및 입도 분포 변화는 레이저회절 입도분석기와 주사전자현미경을 이용하여 평가하였고, 습식 볼밀 분쇄 시간 및 pH조건에 따른 ATO 입자의 분산성은 제타전위 측정법과 다중광산란(multiple light scattering)법을 이용하여 평가하였다. 분쇄 조건 중 60 min 동안 처리된 ATO 입자 크기는 30% 이하로 작아지고, $1{\sim}35{\mu}m$에서 $0.1{\sim}5{\mu}m$로 입도분포를 갖는 균일한 입자를 얻을 수 있었다. 그러나 분쇄조건을 60 min 이상 처리한 것은 역분쇄 및 재응집 현상의 발생으로 인하여 한계 분쇄 시간이 나타나는 것을 알 수 있었다. 이러한 결과로부터 ATO 분산액은 습식 볼밀 분쇄 시간을 증가시킬수록 입자 크기가 감소하고 표면 에너지가 증가하여 입자간의 반발력이 커지게 됨을 알 수 있었고, 또한 용액의 pH를 증가시킬수록 입자의 표면 이온화도가 커짐으로 인하여 ATO 분산액의 분산성이 향상되는 것을 알 수 있었다.

Distribution and Potential Toxicological Effects of 2,2',4,4'-tetrabromodiphenyl Ether (BDE-47) as a Endocrine Disrupting Chemical in Human and Animals

  • Jung, Eui-Man;Yang, Hyun;An, Beum-Soo;Lee, Geun-Shik;Hyun, Sang-Hwan;Choi, Kyung-Chul;Jeung, Eui-Bae
    • 한국수정란이식학회지
    • /
    • 제26권4호
    • /
    • pp.297-304
    • /
    • 2011
  • Polybrominated diphenyl ethers (PBDEs) are a class of "brominated" (bromine containing) man-made chemicals used as flame retardant additives in plastics, foams, and textiles. PBDEs are found in various environmental contaminants in air, soil, sediment, and water, and 209 individual forms (congeners) of PBDE exist. Among these, 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) is the dominant congener found in the environment. Exposure to BDE-47 is now worldwide, and levels of BDE-47 have been detected in the blood of animals, including humans. BDE-47 can adversely affect the developmental system in both humans and animals. BDEs have structural similarities to polychlorinated biphenyls and thyroid hormones. However, recent studies have shown that BDEs may act as hormonal disrupting chemicals with detrimental effects. Therefore, a reliable assessment of BDE-47 toxicological action is required to understand the detrimental impacts of BDE-47 on human health. In this review, we overview recent studies on the distribution and potential toxicological effects of BDE-47 in humans and animals.

Investigation of Low-Cost, Simple Recycling Process of Waste Thermoelectric Modules Using Chemical Reduction

  • Kim, Woo-Byoung
    • Bulletin of the Korean Chemical Society
    • /
    • 제34권7호
    • /
    • pp.2167-2170
    • /
    • 2013
  • A low-cost and simple recycling process of waste thermoelectric modules has been investigated using chemical reduction methods. The recycling is separated by two processes, such as dissolving and reduction. When the waste thermoelectric chips are immersed into a high concentration of $HNO_3$ aqueous solution at $100^{\circ}C$, oxide powders, e.g., $TeO_2$ and $Sb_2O_3$, are precipitated in the $Bi^{3+}$ and $HTeO{_2}^+$ ions contained solution. By employing a reduction process with the ions contained solutions, $Bi_2Te_3$ nanoparticles are successfully synthesized. Due to high reduction potential of $HTeO{_2}^+$ to Te, Te elements are initially formed and subsequently $Bi_2Te_3$ nanoparticles are formed. The average particle size of $Bi_2Te_3$ was calculated to be 25 nm with homogeneous size distribution. On the other hand, when the precipitated powders reduced by hydrazine, $Sb_2O_3$ and Te nanoparticles are synthesized because of higher reduction potentials of $TeO_2$ to Te. After the washing step, the $Sb_2O_3$ are clearly removed, results in Te nanoparticles.

기후변화를 고려한 화학물질거동모형의 도시·산단지역 적용성 연구 (Applicability Analysis of Chemical Fate Model Considering Climate Change Impact in Municipal and Industrial Areas in Korea)

  • 유선녀;이우균
    • 한국기후변화학회지
    • /
    • 제6권2호
    • /
    • pp.121-131
    • /
    • 2015
  • As the temperature has changed by climate change, changes in its own characteristic values of the chemical substance or the movement and distribution of chemicals take place in accordance with the changes of hydrological and meteorological phenomena. Depending on the impact of climate change on the chemical behavior, it is necessary to understand and predict quantitative changes in the dynamics of the environment of pollutants due to climate change in order to predict in advance the occurrence of environmental disasters, and minimize the impact on the life and the environment after the incident. In this study, we have analysed and compared chemical fate models validated by previous studies in terms of model configuration, application size and input/output factors. The potential models applicable to municipal and industrial areas were selected on the basis of characteristic of each model, availability of input parameters and consideration for climate change, identified the problems, and then presented an approach to improve applicability.

CMP특성과 온도의 상호관계에 관한 연구 (A Study on the Correlation between Temperature and CMP Characteristics)

  • 권대희;김형재;정해도;이응숙;신영재
    • 한국정밀공학회지
    • /
    • 제19권10호
    • /
    • pp.156-162
    • /
    • 2002
  • There are many factors affecting the results of CMP (Chemical Mechanical Polishing). Among them, the temperature is related to the removal rate and WIWNU (Within Wafer Non-Uniformity). In other words, the removal rate is proportional to the temperature and the variation of temperature distribution on a pad affects the non-uniformity within a wafer. In the former case, the active chemistry improves the rate of chemical reaction and the removal rate becomes better. But, there are not many advanced studies. In the latter case, a kinematical analysis between work-piece and pad can be obtained. And such result analysed from the mechanical aspect can be directly related to the temperature distribution on a pad affecting WIWNU. Meanwhile, the temperature change affects the quantities of both slurry and pad. The change of a pH value of the slurry chemistry due to a temperature variation affects the surface state of an abrasive particle and hence the agglomeration of abrasives happens above the certain temperature. And the pH alteration also affects the zeta potential of a pad surface and therefore the electrical force between pad and abrasive changes. Such results could affect the removal rate and etc. Moreover, the temperature changes the 1st and 2nd elastic moduli of a pad which are closely related to the removal rate and the WIWNU.

Emerging role of transient receptor potential (TRP) channels in cancer progression

  • Yang, Dongki;Kim, Jaehong
    • BMB Reports
    • /
    • 제53권3호
    • /
    • pp.125-132
    • /
    • 2020
  • Transient receptor potential (TRP) channels comprise a diverse family of ion channels, the majority of which are calcium permeable and show sophisticated regulatory patterns in response to various environmental cues. Early studies led to the recognition of TRP channels as environmental and chemical sensors. Later studies revealed that TRP channels mediated the regulation of intracellular calcium. Mutations in TRP channel genes result in abnormal regulation of TRP channel function or expression, and interfere with normal spatial and temporal patterns of intracellular local Ca2+ distribution. The resulting dysregulation of multiple downstream effectors, depending on Ca2+ homeostasis, is associated with hallmarks of cancer pathophysiology, including enhanced proliferation, survival and invasion of cancer cells. These findings indicate that TRP channels affect multiple events that control cellular fate and play a key role in cancer progression. This review discusses the accumulating evidence supporting the role of TRP channels in tumorigenesis, with emphasis on prostate cancer.

Charges of TIP4P water model for mixed quantum/classical calculations of OH stretching frequency in liquid water

  • Jeon, Kiyoung;Yang, Mino
    • Rapid Communication in Photoscience
    • /
    • 제5권1호
    • /
    • pp.8-10
    • /
    • 2016
  • The potential curves of OH bonds of liquid water are inhomogeneous because of a variety of interactions with other molecules and this leads to a wide distribution of vibrational frequency which hampers our understanding of the structure and dynamics of water molecules. Mixed quantum/classical (QM/CM) calculation methods are powerful theoretical techniques to help us analyze experimental data of various vibrational spectroscopies to study such inhomogeneous systems. In a type of those approaches, the interaction energy between OH bonds and other molecules is approximately represented by the interaction between the charges located at the appropriate interaction sites of water molecules. For this purpose, we re-calculated the values of charges by comparing the approximate interaction energies with quantum chemical interaction energies. We determined a set of charges at the TIP4P charge sites which better represents the quantum mechanical potential curve of OH bonds of liquid water.