• 제목/요약/키워드: molecular charge

검색결과 446건 처리시간 0.031초

Conformational Preference of Pseudo-Proline Dipeptide in the Gas Phase and Solutions

  • Park, Hae-Sook;Kang, Young-Kee
    • 한국생물물리학회:학술대회논문집
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    • 한국생물물리학회 2003년도 정기총회 및 학술발표회
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    • pp.74-74
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    • 2003
  • We report here the results on N-acetyl-N'-methylamide of oxazolidine (Ac-Oxa-NHMe) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level of theory with the 6-3l+G(d) basis set. The displacement of the $\square$-CH$_2$ group in proline ring by oxygen atom has affected the structure of proline, cis$\^$∼/ trans equilibrium, and rotational barrier. The up-puckered structure is found to be prevalent for the trans conformers of the Oxa amide. The higher cis populations of the Oxa amide can be interpreted due to the longer distance between the acetyl methyl group and the 5-methylene group of the ring for the trans conformer of the Oxa amide than that of the Pro amide. The changes in charge of the prolyl nitrogen and the decrease in electron overlap of the C$\^$∼/ N bond for TS structures seem to play a role in lowering rotational barriers of the Oxa amide compared to that of the Pro amide. The calculated preferences for cis conformers in the order of Oxa > Pro amides and for trans-to-cis rotational barriers in the order of Pro > Oxa amide in water are consistent with experimental results on Oxa-containing peptides. The pertinent distance between the prolyl nitrogen and the N$\^$∼/ H amide group to form a hydrogen bond might indicate that this intramolecular hydrogen bond could contribute in stabilizing the TS structures of Oxa and Pro amides and play a role in prolyl isomerization.

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Enhanced sialylation and in vivo efficacy of recombinant human α-galactosidase through in vitro glycosylation

  • Sohn, Youngsoo;Lee, Jung Mi;Park, Heung-Rok;Jung, Sung-Chul;Park, Tai Hyun;Oh, Doo-Byoung
    • BMB Reports
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    • 제46권3호
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    • pp.157-162
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    • 2013
  • Human ${\alpha}$-galactosidase A (GLA) has been used in enzyme replacement therapy for patients with Fabry disease. We expressed recombinant GLA from Chinese hamster ovary cells with very high productivity. When compared to an approved GLA (agalsidase beta), its size and charge were found to be smaller and more neutral. These differences resulted from the lack of terminal sialic acids playing essential roles in the serum half-life and proper tissue targeting. Because a simple sialylation reaction was not enough to increase the sialic acid content, a combined reaction using galactosyltransferase, sialyltransferase, and their sugar substrates at the same time was developed and optimized to reduce the incubation time. The product generated by this reaction had nearly the same size, isoelectric points, and sialic acid content as agalsidase beta. Furthermore, it had better in vivo efficacy to degrade the accumulated globotriaosylceramide in target organs of Fabry mice compared to an unmodified version.

포유류 혈장알부민의 이질성 (Heterogeneity of Mammalian Plasma Albumin)

  • Kim, Sang-Yeop;Park, Sang-Yoon
    • 한국동물학회지
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    • 제25권3호
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    • pp.115-122
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    • 1982
  • 소의 혈장으로부터 알부민을 순수 정제하였으며 순도는 면역 화학적 방법을 사용하여 확인하였다. 정제된 알부민에 maleate, iodoacetate, iodoacetamide 및 glutathione의 4가지 thiol 화합물을 각각 반응시켜 그 복합체를 9가지의 상이한 완충용액내에서 초산셀룰로우즈 전기영동한 결과 barbital buffer와 Na-acetate buffer를 제외한 다른 완충용액내에서 albumin-glutathione 복합체는 두 가지의 단백질로 분리되었으며 pH 4.8 citrate buffer 및 pH 4.8 succinate buffer내에서 albumin-iodoacetate 및 albumin-iodoacetamide 복합체는 두 가지의 단백질로 분리되었다. 전기영동상에 나타나는 알부민 분획에는 conformation이 서로 다른 두 가지 이상의 알부민 분자가 존재한다고 사료된다.

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Benzo[a]pyrene 대사체의 발암활성 영역 및 DNA 염기와의 분자착물의 배향 (The Carcinogenic Region of Benzo[a]pyrene Metabolites and Its Molecular Complex with Guanine and Adenine)

  • 김종문;손관수;도성탁;김석규;박병각
    • 대한화학회지
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    • 제40권4호
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    • pp.229-234
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    • 1996
  • Benzo[a]pyrene(BP)과 그들의 대사체들의 발암성을 PM3의 방법으로 조사하였다. BP분자내의 transbutadiene(TB)frame을 형성하는 4, 5, 5a, 그리고 6번 위치가 발암활성영역임을 LUMO 전자밀도로 예측하고 Ultimate carcinogen인 BP-triol의 발암활성영역이 10, 10a, 12c, 그리고12b 위치로 변화함을 알았다. TB 영역에 해당하는 Guanine의 HOMO와 BP-triol의 LUMO 사이의 전하이동량이 가장 큼을 알았다.

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Boron removal from model water by RO and NF membranes characterized using S-K model

  • Kheriji, Jamel;Tabassi, Dorra;Bejaoui, Imen;Hamrouni, Bechir
    • Membrane and Water Treatment
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    • 제7권3호
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    • pp.193-207
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    • 2016
  • Boron is one of the most problematic inorganic pollutants and is difficult to remove in water. Strict standards have been imposed for boron content in water because of their high toxicity at high concentrations. Technologies using membrane processes such as reverse osmosis (RO) and nanofiltration (NF) have increasingly been employed in many industrial sectors. In this work, removal of boron from model water solutions was investigated using polyamide reverse osmosis and nanofiltration membranes. RO-AG, RO-SG, NF-90 and NF-HL membranes were used to reduce the boron from model water at different operational conditions. To understand the boron separation properties a characterization of the four membranes was performed by determining the pure water permeability, surface charge and molecular weight cut-off. Thereafter, the effect of feed pressure, concentration, ionic strength, nature of ions in solution and pH on the rejection of boron were studied. The rejection of boron can reach up to 90% for the three membranes AG, SG and NF-90 at pH = 11. The Spiegler-Kedem model was applied to experimental results to determine the reflection coefficient of the membrane ${\sigma}$ and the solute permeability $P_s$.

폴리머-계면활성제 콤플렉스의 물성 조절을 통한 샴푸 사용감 최적화 (Optimization of Conditioning Performance by Controlling Properties of Polymer-Surfactant Complex in Shampoo System)

  • 강병하;배우리;박민선;이기현;이존환;한상훈
    • 대한화장품학회지
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    • 제36권2호
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    • pp.93-97
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    • 2010
  • 본 연구에서는 샴푸에 널리 사용되는 양이온성 폴리머 중, 양이온성 구아 폴리머를 선택적으로 사용하여, 다양한 성능평가를 통해 0.7 % 질소함량 이상의 치환도와 190~200 cps사이의 점도를 가지는 새로운 양이온성 구아 폴리머를 개발하였다. 성능평가로는 헹굼 시 모발 부드러움(Wet combing ability), 폴리머의 잔존정도와 실리콘의 흡착정도를 측정하였으며 최종적으로 관능평가를 실시하였다. 본 연구에서 개발된 양이온성 구아 폴리머를 배합하면 샴푸 사용감을 최적화할 수 있을 것이다.

Cloning and Nucleotide Sequence of a cDNA Encoding the Rat Triosephosphate Isomerase

  • Lee, Kyunglim;Ryu, Jiwon
    • Archives of Pharmacal Research
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    • 제19권6호
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    • pp.497-501
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    • 1996
  • A gene coding for triosephosphate isomerase (TPI) from a rat skeletal muscle cDNA library was cloned and its nucleotide sequence was determined. The 1, 348-bp cDNA clone contains 24 bp $5^I$ noncoding region, the entire 750 bp coding region corresponding to a protein of 249 amino acids, $547bp 3^I$ noncoding region and part of a poly(A) tail. It also contains a polyadenylation signal, AATAAA, starting from 17 bp upstream of the poly(A) tail. The calculated molecular weight of rat TPI is 27.8 kDa and the net charge is +4. The deduced amino acid sequence from rat TPI CDNA sequence has 93% and 94% homology with that of mouse and human clones, respectively. The amino acids at the residue of Asn12, Lys14, His96, Glu 166, His96, His101, Ala177, Tyr165, Glu13O, Tyr2O9, and Ser212 in catalytic site are completely identical, confirming that the functional residues in TPI proteins are highly conserved throughout evolution. The most profound characteristic of rat TPI enzyme, compared with other TPIs, is that there are five cysteine substitutions at the residue of 21, 27, 159, 195 and 204. A Glu123 instead of Gly was found in rabbit, rhesus, mouse and human sequences. Through the method of RT-PCR, the mRNA transcription level of TPI gene was found to be different among various tissues and was highest in muscle.

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Zinc phthalocyanine(ZnPC)/$C_{60}$ 소자를 이용한 유기 광소자의 광기전특성 (Photovoltaic Properties of Organic Solar Cell using Zinc phthalocyanine(ZnPC)/$C_{60}$ devices)

  • 이호식;허성우;오현석;장경욱;이준웅;김태완
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2004년도 제6회 학술대회 논문집 일렉트렛트 및 응용기술연구회
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    • pp.31-34
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    • 2004
  • During the last 20 years organic semiconductors have attracted considerable attention due to their interesting physical properties followed by various technological applications in the area of electronics and opto-electronics. It has been a long time since organic solar cells were expected as a low-cost energy-conversion device. Although practical use of them has not been achieved, technological progress continues. Morphology of the materials, organic/inorganic interface, metal cathodes, molecular packing and structural properties of the donor and acceptor layers are essential for photovoltaic response. We have fabricated solar cell devices based on zinc-phthalocyanine(ZnPc) as donor(D) and fullerine$(C_{60})$ as electron acceptor(A) with doped charge transport layers, $Alq_3$ as an electron transport or injection layer. We observed the photovoltaic characteristics of the solar celt devices using the Xe lamp as a light source.

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$CuPc/C_{60}$ 구조 유기 반도체에서의 음전극의 종류에 따른 광기전 효과 연구 (Photovoltaic Effects in Organic Semiconductor $CuPc/C_{60}$ depending on Cathodes)

  • 오현석;장경욱;이성일;이준웅;김태완
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2004년도 하계학술대회 논문집 Vol.5 No.1
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    • pp.181-184
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    • 2004
  • Organic semiconductors have attracted considerable attention due to their interesting physical properties followed by various technological applications in the area of electronics and opto-electronics. It has been a long time since organic solar cells were expected as a low-cost high-energy conversion device. Although practical use of them has not been achieved, technological progress continues. Morphology of the materials, organic/inorganic interface, metal cathodes, molecular packing and structural properties of the donor and acceptor layers are essential for photovoltaic response. We have fabricated solar-cell devices based on copper-phthalocyanine(CuPc) as a donor(D) and fullerene($C_{60}$) as an electron acceptor(A) with doped charge transport layers, and BCP as an exciton blocking layer(EBL). We have measured photovoltaic characteristics of the solar-cell devices using the xenon lamp as a light source.

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보류 시스템이 Floc 특성과 보류에 미치는 영향 (Effect of Retention System on the Characteristics of Floc and Retention)

  • 김용식;원종명
    • 펄프종이기술
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    • 제33권3호
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    • pp.9-17
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    • 2001
  • The floc characteristics of base paper stock for coating by the retention aid system consisting of polyacrylamide (high molecular weight low charge density, HMLC) and PEI without and with anionic inorganic oxide (IO) were investigated under various shear conditions of MDDA (modified dynamic drainage analyzer). The floc size was increased with cationic electrolytes dosage whatever inorganic oxide is applied or not. The effect of inorganic oxide on the floc size showed the different result between PAM and PEI. The smaller floc was obtained by PAM without inorganic oxide, but larger floc was obtained by PAM with inorganic oxide. However, the effect of shear force was not observed. Floc formation index was decreased by the addition of cationic electrolytes with or without inorganic oxide. Floc formation index had better correlation format formation index than floc size. The relationships between wet web permeability and mat air permeability showed the significant linear correlation ($R^2$=0.97~0.98) for HML PAM and PEI. Floc formation index gave more useful information than the retention measurement when the performance of retention aids is evaluated at the laboratory before applying at the paper mill.

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