• 제목/요약/키워드: Hydrophilic group

검색결과 215건 처리시간 0.023초

Crystal Structure of Penicillin V Potassium Salt

  • Kim, Whan-Chul;Yi, Seung-Ho;Shin, Jung-Mi;Yoon, Tae-Sung
    • Bulletin of the Korean Chemical Society
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    • 제14권6호
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    • pp.713-717
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    • 1993
  • The crystal structure of the potassium salt of penicillin V has been studied by the X-ray crystallographic methods. Crystal data are as follows; potassium 3,3-dimethyl-7-oxo-6-phenoxyacetoamido-4-thia-1- azabicyclo[3.2.0]-heptane-2${\alpha}$-carboxylate, $K^+{\cdot}C_{16}H_{18}N_2O_5S^-$, $M_r$= 388.5, triclinic, Pl, a= 9.371 (1), b= 12.497 (2), c= 15.313 (2) ${\AA},\;{\alpha}= 93.74\;(2),\;{\beta}=99.32\;(1),\;{\gamma}=90.17\;(1)^{\circ},\;V=1765.7\;(2)\;{\AA}^3$, Z=4, $D_m=1.461\;gcm^{-1},\;{\lambda}(Cu\;K{\alpha})=1.5418\;{\AA},\;{\mu}=40.1\;cm^{-1}$, F(000)=808, T=296 K. The structure was solved by the heavy atom and difference Fourier methods with intensity data measured on an automated four-circle diffractometer. The structure was refined by the full-matrix least-squares method to a final R= 0.081 for 3563 observed $[I_0{\geq}2{\sigam}(I_0)]$ reflections. The four independent molecules assume different overall conformations with systematically different orientations of the phenyl groups although the penam moieties have the same closed conformations. There are intramolecular hydrogen bonds between the exocyclic amide nitrogen and phenoxy oxygen atoms. The penam moiety is conformationally very restricted although the carboxyl and exocyclic amide groups apparently have certain rotational degrees of freedom but the phenyl group is flexible about the ether bond despite the presence of the intramolecular N-H${\cdots}$O hydrogen bond. There are complicated pseudo symmetric relationships in the crystal lattice. The penam moieties are related by pseudo 20.5 screw axes and the phenyl groups by pseudo centers of symmetry. The potassium ions, related by both pseudo symmetries, form an infinite zigzag planar chain parallel to the b axis. Each potassium ion is coordinated to seven oxygen atoms in a severely distorted pentagonal bipyramid configuration, forming the infinite hydrophilic channels which in turn form the molecular stacks. Between these stacks, there are only lipophilic interactions involving the phenyl groups.

Preparation of Core-shell Type Nanoparticles of Poly($\varepsilon$-caprolactone) /Poly(ethylene glycol)/Poly( $\varepsilon$-caprolactone) Triblock Copolymers

  • 류재곤;정영일;김영훈;김인숙;김도훈;김성호
    • Bulletin of the Korean Chemical Society
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    • 제22권5호
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    • pp.467-475
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    • 2001
  • A triblock copolymer based on $poly(\varepsilon-caprolactone)$ (PCL) as the hydrophobic part and poly(ethylene glycol) (PEG) as the hydrophilic portion was synthesized by a ring-opening mechanism of ${\varepsilon}-caprolactone$ with PEG containing a hydroxyl group at bot h ends as an initiator. The synthesized block copolymers of PCL/PEG/PCL (CEC) were confirmed and characterized using various analysis equipment such as 1H NMR, DSC, FT-IR, and WAXD. Core-shell type nanoparticles of CEC triblock copolymers were prepared using a dialysis technique to estimate their potential as a colloidal drug carrier using a hydrophobic drug. From the results of particle size analysis and transmission electron microscopy, the particle size of CEC core-shell type nanoparticles was determined to be about 20-60 nm with a spherical shape. Since CEC block copolymer nanoparticles have a core-shell type micellar structure and small particle size similar to polymeric micelles, CEC block copolymer can self-associate at certain concentrations and the critical association concentration (CAC) was able to be determined by fluorescence probe techniques. The CAC values of the CEC block copolymers were dependent on the PCL block length. In addition, drug loading contents were dependent on the PCL block length: the larger the PCL block length, the higher the drug loading content. Drug release from CEC core-shell type nanoparticles showed an initial burst release for the first 12 hrs followed by pseudo-zero order release kinetics for 2 or 3 days. CEC-2 block copolymer core-shell type nanoparticles were degraded very slowly, suggesting that the drug release kinetics were governed by a diffusion mechanism rather than a degradation mechanism irrelevant to the CEC block copolymer composition.

Commonly Used Surfactant, Tween 80, Improves Absorption of P-Glycoprotein Substrate, Digoxin, in Rats

  • Zhang, Hongjian;Yao, Ming;Morrison, Richard-A.;Chong, Sae-Ho
    • Archives of Pharmacal Research
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    • 제26권9호
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    • pp.768-772
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    • 2003
  • Tween 80 (Polysorbate 80) is a hydrophilic nonionic surfactant commonly used as an ingredient in dosing vehicles for pre-clinical in vivo studies (e.g., pharmacokinetic studies, etc.). Tween 80 increased apical to basolateral permeability of digoxin in Caco-2 cells suggesting that Tween 80 is an in vitro inhibitor of P-gp. The overall objective of the present study was to investigate whether an inhibition of P-gp by Tween 80 can potentially influence in vivo absorption of P-gp substrates by evaluating the effect of Tween 80 on the disposition of digoxin (a model P-gp substrate with minimum metabolism) after oral administration in rats. Rats were dosed orally with digoxin (0.2 mg/kg) formulated in ethanol (40%, v/v) and saline mixture with and without Tween 80 (1 or 10%, v/v). Digoxin oral AUC increased 30 and 61% when dosed in 1 % and 10% Tween 80, respectively, compared to control (P<0.05). To further examine whether the increase in digoxin AUC after oral administration of Tween 80 is due, in part, to a systemic inhibition of digoxin excretion in addition to an inhibition of P-gp in the GI tract, a separate group of rats received digoxin intravenously (0.2 mg/kg) and Tween 80 (10% v/v) orally. No significant changes in digoxin IV AUC was noted when Tween 80 was administered orally. In conclusion, Tween 80 significantly increased digoxin AUC and Cmax after oral administration, and the increased AUC is likely to be due to an inhibition of P-gp in the gut (i.e., improved absorption). Therefore, Tween 80 is likely to improve systemic exposure of P-gp substrates after oral administration. Comparing AUC after oral administration with and without Tween 80 may be a viable strategy in evaluating whether oral absorption of P-gp substrates is potentially limited by P-gp in the gut.

LC-MS/MS를 이용한 돼지 근육조직 중 dl-methylephedrine hydrochloride의 잔류 분석법 개발 (Development of an analytical method for the determination of dl-methylephedrine hydrochloride in porcine muscle using liquid chromatography-tandem mass spectrometry)

  • 최원석;김석;이후장
    • 대한수의학회지
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    • 제60권4호
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    • pp.209-213
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    • 2020
  • This study examined the residue of dl-methylephedrine hydrochloride (MEP) on the muscle of pigs administered orally with MEP 12 g/ton feed for seven consecutive days. Twenty healthy cross swine were administered MEP. Four treated animals were selected arbitrarily to be sacrificed at 1, 2, 3, 4, and 5 days after treatment. MEP residue concentrations in the muscle were determined by liquid chromatography coupled with tandem mass spectrometry. The drug was extracted from muscle samples using 10 mM ammonium formate in acetonitrile followed by clean-up with n-hexane. The analyte was separated on an XBridgeTM hydrophilic interaction liquid chromatography column using 10 mM ammonium formate in deionized distilled water and acetonitrile. The correlation coefficient (R2) of the calibration curve was 0.9974, and the limits of detection and quantification were 0.05 and 0.15 ㎍/kg, respectively. The recoveries at three spiking levels were 94.5-101.2%, and the relative Standard Deviations was less than 4.06%. In the MEP-treated group, MEP residues on one day post-treatment were below the maximum residue limit in the muscle. The developed method is sensitive and reliable for the detection of MEP in porcine muscle tissues. Furthermore, it exhibits low quantification limits for animal-derived food products destined for human consumption.

Study on the Effect of Cimicifuga heracleifolia Ethanol Extract on Hyaluronic Acid Synthesis

  • Son, Hyun-Kyu;Ha, Hun-Yong
    • 공업화학
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    • 제33권6호
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    • pp.557-562
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    • 2022
  • Hyaluronic acid (HA) is a mucopolysaccharide, occurring naturally in living organisms. It is one of the most hydrophilic molecules, so it has been known as being related to skin hydration and skin aging. The purpose of this study was to examine the effects of Cimicifuga heracleifolia ethanol extract on the hyaluronic acid synthesis and the inhibition of hyaluronidase activity. To determine cytotoxicity, hyaluronic acid synthase 2 (HAS2) gene expression, HA production and, hyaluronidase inhibitory effects, 3-(4,5-dimethylthiazol-2-ly)-2,5-diphenyl tetrazolium bromide (MTT) assay, real time - polymerase chain reaction (RT-PCR), hyaluronic acid enzyme linked immunosorbent assay (HA-ELISA), and hyaluronidase assay were used, respectively. When the Cimicifuga heracleifolia extract was treated in the HaCaT cells up to 500 ㎍/mL concentration, cytotoxicity was confirmed by the Cimicifuga heracleifolia extract at concentrations above 200 ㎍/mL. Therefore, the optimum concentration of all experiments used in this study was determined to be 200 ㎍/mL. HAS2 gene expression increased by Cimicifuga heracleifolia extract in a concentration-dependent manner at all treatment concentrations. The production rate of HA was tended to decrease at the highest concentration of 200 ㎍/mL. The hyaluronidase activity inhibition effect of Cimicifuga heracleifolia extract was very high compared to the control group. Based on these results, Cimicifuga heracleifolia extract was expected to have a moisturizing effect on human skin and special attention should be paid to the determination of the concentration of Cimicifuga heracleifolia when developing cosmetic materials using it.

Calcium annealing approach to control of surface groups and formation of oxide in Ti3C2Tx MXene

  • Jung-Min Oh;Su Bin Choi;Taeheon Kim;Jikwang Chae;Hyeonsu Lim;Jae-Won Lim;In-Seok Seo;Jong-Woong Kim
    • Advances in nano research
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    • 제15권1호
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    • pp.1-13
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    • 2023
  • Ti3C2Tx MXene, a 2D material, is known to exhibit unique characteristics that are strongly dependent on surface termination groups. Here, we developed a novel annealing approach with Ca as a reducing agent to simultaneously remove F and O groups from the surface of multilayered MXene powder. Unlike H2 annealing that removes F effectively but has difficulty in removing O, annealing with Ca effectively removed both O and F. X-ray photoelectron spectroscopy (XPS) and energy dispersive X-ray spectroscopy revealed that the proposed approach effectively removed F and O from the MXene powder. The results of O/N analyses showed that the O concentration decreased by 57.5% (from 2.66 to 1.13 wt%). In addition, XPS fitting showed that the volume fraction of metal oxides (TiO2 and Al2O3) decreased, while surface termination groups (-O and -OH) were enhanced, which could increase the hydrophilic and adsorption properties of the MXene. These findings suggest that when F and O are removed from the MXene powder, the interlayer spacing of its lattice structure increases. The proposed treatment also resulted in an increase in the specific surface area (from 5.17 to 10.98 m2/g), with an increase in oxidation resistance temperature in air from ~436 to ~667 ℃. The benefits of this novel technology were verified by demonstrating the significantly improved cyclic charge-discharge characteristics of a lithium-ion battery with a Ca-treated MXene electrode.

MICROLEAKAGE AND WATER STABILITY OF RESIN CEMENTS

  • Choi Sun-Young;Lee Sun-Hyung;Yang Jae-Ho;Han Jung-Suk
    • 대한치과보철학회지
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    • 제41권3호
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    • pp.369-378
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    • 2003
  • Statement of Problem: Recently, resin cements have become more widely used and have been accepted as prominent luting cements. Current resin cements exhibit less microleakage than conventional luting cements. However, the constant contact with water and exposure to occlusal forces increase microleakage even in resin cements inevitably. Most bonding resins have been modified to contain a hydrophilic resin such as 2-hydroxyethylmethacrylate (HEMA) to overcome some of the problems associated with the hydrophobic nature of bonding resins. By virtue of these modifications, bonding resins absorb a significant amount of water, and there may also be significant stresses at bonding interfaces, which may adversely affect the longevity of restorations. Therefore the reinforcement of water stability of resin cement is indispensable in future study. Purpose: This study was conducted to examine the influence of water retention on microleakage of two resin cements over the period of 6 months. Materials and Methods: 32 extracted human teeth were used to test the microleakage of a single full veneer crown. Two resin cements with different components and adhesive properties - Panavia F (Kuraray Co., Osaka, Japan) and Super-Bond C&B (Sun Medical Co., Kyoto, Japan)- were investigated. The storage medium was the physiological saline solution changed every week for 1 month, 3 months, and 6 months. One group was tested after storage for 1 day. At the end of the each storage period, all specimens were exposed to thermocycling from $5^{\circ}C$ to $55^{\circ}C$ of 500 cycles and chewing simulation of 50,000 cycles, and then stained with 50% silver nitrate solution. The linear penetration of microleakage was measured using a stereoscopic microscope at ${\times}40$ magnification and a digital traveling micrometer with an accuracy of ${\pm}3{\mu}m$. Values were analyzed using two-way ANOVA test, Duncan's multiple range tests (DMRT). Results : Statistically significant difference of microleakage was shown in the 3-month group compared with the1-day or 1-month group in both systems (p<0.05) and there were statistically significant differences in microleakage between the 3-month group and the 6-month group in both systems (p<0.05). The two systems showed different tendency in the course of increased microleakage during 3 months. In Panavia F, microleakage increased slowly throughout the periods. In Super-Bond C&B, there was no significant increase of microleakage for 1 month, but there was statistically significant increase of microleakage for the next 2 months. For the mean microleakage for each period, in the 3-month group, microleakage of Super-Bond C&B was significantly greater than that of Panavia F. On the other hand, in the 6-month group, microleakage of Panavia F was significantly greater than that of Super-Bond C&B (p<0.05). Conclusion: Within the limitation of this study, water retention of two different bonding systems influence microleakage of resin cements. Further studies with the longer observation periods in viro are required in order to investigate water stability and the bonding durability of the resin cement. CLINICAL IMPLICATIONS Microleakage at the Cement-tooth interfaces did not necessarily result in the failure of the crowns. But it is considered to be a major factor influening the longerity of restorations. Further clinical approaches for decreasing the amount of microleakage are required.

Ion-cut에 의한 SOI웨이퍼 제조 및 특성조사 (SOI wafer formation by ion-cut process and its characterization)

  • 우형주;최한우;배영호;최우범
    • 한국진공학회지
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    • 제14권2호
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    • pp.91-96
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    • 2005
  • 양성자 주입과 웨이퍼접합기술을 접목한 ion-cut기술로서 SOI 웨이퍼를 제조하는 기술을 개발하였다. SRIM 전산모사에 의하면 일반 SOI 웨이퍼 (200nm SOI, 400nm BOX) 제조에는 65keV의 양성자주입이 요구된다. 웨이퍼분리를 위한 최적 공정조건을 얻기 위해 조사선량과 열처리조건(온도 및 시간)에 따른 blistering 및 flaking 등의 표면변화를 조사하였다. 실험결과 유효선량범위는 $6\~9times10^{16}H^+/cm^2$이며, 최적 아닐링조건은 $550^{\circ}C$에서 30분 정도로 나타났다. RCA 세정법으로서 친수성표면을 형성하여 웨이퍼 직접접합을 수행하였으며, IR 조사에 의해 무결함접합을 확인하였다 웨이퍼 분리는 예비실험에서 정해진 최적조건에서 이루어졌으며, SOI층의 안정화를 위해 고온열처리($1,100^{\circ}C,\;60$분)를 시행하였다. TEM 측정상 SOI 구조결함은 발견되지 않았으며, BOX(buried oxide)층 상부계면상의 포획전하밀도는 열산화막 계면의 낮은 밀도를 유지함을 확인하였다.

6-Bromobenzo[4,5]imidazo[$1,2{\alpha}$pyridin-8,9-dione 유도체들의 Photosystem II 저해활성에 관한 3D-QSAR 분석 (3D-QSAR Analysis on the Photosystem II Inhibition Activity of 6-Bromobenzo[4,5]imidazo[$1,2{\alpha}$]pyridin-8,9-dione Analogues)

  • 김세곤;조윤기;황태연;성낙도
    • 농약과학회지
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    • 제12권1호
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    • pp.18-23
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    • 2008
  • 기질 분자로서 6-bromobenzo-[4,5]imidazo[$1,2{\alpha}$]pyridin-8,9-diones 유도체의 photosystem II의 저해활성에 관한 3차원적인 정량적 구조와 활성과의 관계(3D-QSARs)들을 비교 분자장분석(CoMFA)과 비교분자 유사성 지수분석(CoMSIA) 방법으로 각각 검토하였다. CoMFA 모델은 CoMSIA 모델보다 높은 예측성과 상관성을 갖는 모델이었다. 또한 최적화된 CoMFA 2 모델의 기여도는 입체장(90.4%)에 가장 의존적이었다. CoMFA 등고도 분석으로부터, 치환기(R)로서 모체로 연결되는 탄소원자(ipso carbon)에 곁가지를 가진 치환체가 도입될수록 저해활성이 증가할 것으로 보인다. 또한, imidazol 고리와 pyridine 고리 사이의 위치에 양하전을 가질수록 활성이 높을 것으로 예상되며 친수성을 띄는 선 형태의 치환기가 도입되는 경우에 활성이 개선될 것으로 판단되었다.

천연유기물질의 특성과 막의 종류에 따른 막오염 메카니즘 분석 (Effects of Membrane Size and Organic Matter on Membrane Fouling)

  • 정철우;손희종
    • 대한환경공학회지
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    • 제28권10호
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    • pp.1046-1054
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    • 2006
  • 낙동강 매리원수의 경우 HPO가 42.9%, HPI가 39.3% 및 TPI가 17.8%를 차지하고 있는 것으로 나타났다. HPO를 세분화한 결과에서 HPO-FA와 HPO-HA의 구성비는 62%와 38%로 나타났고, HPO-car과 HPO-phe로 분류하였을 경우는 HPO 중에서는 각각 64%와 36%를 차지하고 있는 것으로 나타났다. 또한, HPI를 세분화하여 조사한 결과, HPI에 대한 함량은 HPI-N이 44%, HPI-C가 56%를 차지하고 있는 것으로 나타났다. 분리된 NOM을 이용한 막 오염 평가에서 공극 크기가 100 kDa 이상인 막에서는 HPI-N이 가장 막 오염을 많이 유발하는 NOM으로 나타났고, 다음으로 HPO-car, HPO-HA, HPO-FA, HPI-C, HPO-phe 순으로 나타났다. 또한, 10 kDa 막에서는 HPI-N, HPI-C, HPO-HA, HPO-car, HPO-FA, HPO-phe 순으로 막 오염을 많이 유발하는 것으로 나타났다. 100 kDa 막의 경우 친수성 NOM에 비하여 소수성 NOM에서 상대적으로 $K_s$, $K_i$, $K_c$ 값이 크게 나타났으며 소수성 NOM의 경우 막 공극 내부와 막 공극 표면에서 막 오염을 유발하는 것으로 나타났다. 특히 HPI-N과 HPO-car가 막의 공극 내부에서 막 오염을 일으키는 주요 NOM으로 작용하고 있었다. 10 kDa 막의 경우 소수성 NOM에 비해 친수성 NOM 중 HPI-N이 상대적으로 주된 막 오염 물질로 나타났다. 100 kDa 이상의 공극이 큰 막에서는 소수성 계열의 NOM이 막의 공극내부에서 막 오염을 유발하는 것이 주된 막 오염 메카니즘이었으며, 10 kDa 정도의 공극이 작은 막의 경우 친수성 계열의 NOM이 막 표면에서 막 오염을 유발하는 것이 주된 막 오염 메카니즘이었다. 투과 flux 감소에 대한 NOM의 분자량 분포 영향을 살펴본 결과, 전반적으로 2,000 g/mol 이하의 분자량 범위에서 90% 이상의 분포범위를 나타내고 있어 투과 flux 감소에 대한 유기물 분자량 크기분포의 영향은 없는 것으로 나타났다.