• 제목/요약/키워드: chemical compounds

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Facile Synthesis of the Uryl Pendant Binaphthol Aldehyde and Its Selective Fluorescent Recognition of Tryptophan

  • Tang, Lijun;Wei, Gongfan;Nandhakumar, Raju;Guo, Zhilong
    • Bulletin of the Korean Chemical Society
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    • 제32권9호
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    • pp.3367-3371
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    • 2011
  • An easy and convenient synthetic route to (S)-2-hydroxy-2'-(3-phenyluryl-benzyl)-1,1'-binaphthyl-3-carboxaldehyde (1), capable of recognizing tryptophan by fluorescence has been developed. The binol carboxaldehyde 1 exhibited a high selectivity to L-tryptophan over other examined L-${\alpha}$-amino acids such as alanine, phenylalanine, glutamine, arginine, lysine, serine, threonine, aspartat, valine, histidine and cysteine, with a fluorescence "turn-on" signal. In addition, 1 displayed chiral discrimination with good enantioselectivity toward L-tryptophan over D-tryptophan through different fluorescence enhancement factors.

Finding of a Characteristic Reactive Region Common to Some Series of Chemical Carcinogens

  • Park, Byung-Kak;Lee, Moon-Hawn;Do, Sung-Tag
    • Bulletin of the Korean Chemical Society
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    • 제6권2호
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    • pp.103-107
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    • 1985
  • Quantum chemical calculations were carried out to explain how the electronic states of some series compounds vary with metabolic activation. Compounds studied included aromatic amines and amides, polycyclic hydrocarbons, and a few alkylating agents that do not require metabolic activation. The 1, 2 and 4 positions forming the trans-butadiene frame of a molecule, henceforth referred to as "the trans 1, 2, 4 region", have seen to be important positions for the prediction of carcinogenic activity of these compounds. It is also evident that their electrophilic properties increase with metabolic activation. That is the sum of ${\pi}$-electron densities of the trans 1, 2, 4 region in the lowest unoccupied molecular orbital (LUMO) has been found to increase in the order of precarcinogens < proximate-ones < the carbocation ultimate-ones. This is consistent with the fact that chemical carcinogens become more strongly electrophilic with activating. This region not only provides a unified view of structurally diverse carcinogens, but also predicts uniformity in their reactive sites. Accordingly, we suggest that an understanding of the trans 1, 2, 4 region would be helpful in elucidating the mechanism of carcinogenesis.

Effective Generation of Lead Compounds by High Throughput Organic Synthesis: using Multipurpose Privileged Bezopyrans

  • Gong, Young-Dae;Seo, Jin-soo;Hwang, Jong-Yeon;Park, Ji-Yeon;Yoo, Sung-Eun
    • 대한약학회:학술대회논문집
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    • 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-1
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    • pp.89-89
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    • 2003
  • Numerous lead compounds, based on multipurpose privileged structures, can be generated that address a variety of targets from a gene family of interest, irrespective of therapeutic area. Solid-phase organic synthesis has been emerged as a powerful technique in generating combinatorial libraries of small organic molecules useful for drug discovery. Heterocyclic compounds provide scaffolds on which pharmacophores can be arranged to yield potent and selective drugs and a variety of heterocycles have been synthesized on solid support. (omitted)

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Various Bioactivities of Two Polyphenolic Compounds from the Brown Alga Grateoupia elliptica

  • Kim, Eun-Sook;Kim, Chan-Sook;Lee, Bong-Ho;Choi, Byoung-Wook;Ryu, Geon-Seek
    • 대한약학회:학술대회논문집
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    • 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-2
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    • pp.190.2-190.2
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    • 2003
  • In the course of search for various bioactive compounds from marine algae, we found strong antioxidant activity of the methanolic extract of the brown alga G. elliptica. Chromatographic purification [ODS flash, gel-filtration on Sephadex LH-20, HPLC] of the BuOH layer of the methanolic extract afforded two known polyphenolic compounds, 6,6'-bieckol (1) and dieckol (2). Compound 1 showed acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitory activities, free radical scavenging activity on DPPH (1,1-diphenyl-2-picryl-hydazyl) with IC$\_$50/ values of 91.2, 45.6 and 15.5 $\mu\textrm{g}$/$m\ell$, respectively. (omitted)

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숙신이미드계 화합물의 합성 및 그의 윤활특성 (Synthesis and Lubricant Additive Properties of Succinimidyl-type Compounds)

  • 박찬구;강호철;박종목;이병민;김동표
    • 공업화학
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    • 제17권5호
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    • pp.498-503
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    • 2006
  • 윤활유 첨가제 중간체로서 Alkenyl Succinic Anhydride (ASA)계열인 i-(2',5'-diketotetrahydrofuranyl)octadacenyl acid (OSA)를 oleic acid (OA)와 maleic anhydride (MA)의 ene-reaction을 통하여 합성하였다. 이 반응의 진행과정은 GC분석을 통해 관찰함으로써 확인하였다. 숙신이미드 화합물은 알킬아민과 OSA와의 반응에 의해 합성되었다. 이 숙신이미드 화합물들은 윤활유 첨가제로서 항유화성, 내마모성, 방청성능 등을 시험하였으며, 이때 상대적으로 긴 알킬사슬을 가진 octadecylamine 유도체가 우수한 물성을 나타내었다.

Development of kNN QSAR Models for 3-Arylisoquinoline Antitumor Agents

  • Tropsha, Alexander;Golbraikh, Alexander;Cho, Won-Jea
    • Bulletin of the Korean Chemical Society
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    • 제32권7호
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    • pp.2397-2404
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    • 2011
  • Variable selection k nearest neighbor QSAR modeling approach was applied to a data set of 80 3-arylisoquinolines exhibiting cytotoxicity against human lung tumor cell line (A-549). All compounds were characterized with molecular topology descriptors calculated with the MolconnZ program. Seven compounds were randomly selected from the original dataset and used as an external validation set. The remaining subset of 73 compounds was divided into multiple training (56 to 61 compounds) and test (17 to 12 compounds) sets using a chemical diversity sampling method developed in this group. Highly predictive models characterized by the leave-one out cross-validated $R^2$ ($q^2$) values greater than 0.8 for the training sets and $R^2$ values greater than 0.7 for the test sets have been obtained. The robustness of models was confirmed by the Y-randomization test: all models built using training sets with randomly shuffled activities were characterized by low $q^2{\leq}0.26$ and $R^2{\leq}0.22$ for training and test sets, respectively. Twelve best models (with the highest values of both $q^2$ and $R^2$) predicted the activities of the external validation set of seven compounds with $R^2$ ranging from 0.71 to 0.93.

대기 유기질소화합물의 분석방법 및 농도 (Review on the Analytical Methods and Ambient Concentrations of Organic Nitrogenous Compounds in the Atmosphere)

  • 최나래;김용표
    • 한국대기환경학회지
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    • 제34권1호
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    • pp.120-143
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    • 2018
  • The analytical methods and their ambient levels of organic nitrogenous compounds such as nitrosamines, nitramines (nitroamines), imines, amides and nitro-polycyclic aromatic hydrocarbons (nitro-PAHs) in the atmosphere are summarized and discussed. Sampling for the analysis of organic nitrogenous compounds was mostly conducted using high volume air sampler. The direct liquid extraction (DLE) using sonification and the pressurized liquid extraction (PLE) using the accelerated solvent extraction (ASE) have been frequently employed for the extraction of organic nitrogenous compounds in the atmospheric samples. After extraction, clean-up via filtration and the solid phase extraction (SPE) and concentrations using nitrogen and rotary evaporator have been generally conducted but in some studies the clean-up and concentration steps have been omitted to prevent the loss of analyte and improve the recovery rate of the analytical procedure. Instrumental analysis was mainly carried out using gas chromatography (GC) or the high performance liquid chromatography (HPLC) coupled with the single quadrupole mass spectrometer or tandem mass spectrometer in the electron ionization (EI), positive chemical ionization (PCI) and negative chemical ionization (NCI) mode and analysis sensitivity of nitrosamines and nitramines were higher in NCI mode. Desirable sampling and analysis methods for analyzing particulate organic nitrogenous compounds are suggested.

Structural Characterization of the (TEX)$Sr_2Co_0.5Nb(Ta)_0.5O_4$(/TEX) and (TEX)$Sr_3CoNb(Ta)O_7$(/TEX)

  • 조한상;;류광현;유철현
    • Bulletin of the Korean Chemical Society
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    • 제21권7호
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    • pp.679-684
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    • 2000
  • The Sr2Co0.5Nb(Ta)0.5O4 and Sr3CoNb(Ta)O7 compounds, both with Ruddlesden-Popper structures, have been synthesized by the ceramic method at $1150^{\circ}C$ under atmospheric pressure. The crystallographic structure of the compounds was assigned to the tetr agonal system with space group 14/mmm by X-ray diffraction(XRD) Rietveld refinement. The reduced lattice volume and lattice parameters increased as the Ta with 5d substitutes for the Nb with 4d in the compounds. The Co/Nb(Ta)O bond length has been determined by X-ray absorption spectroscopic(EXAFS/XANES) analysis and the XRD refinement. The CoO6,octahedra were tetragonally distorted by elongation of Co-O bond along the c-axis. The magnetic measurement shows the compounds Sr2Co0.5Nb(Ta)0.5O4 and Sr3CoNb(Ta)O7 have paramagnetic properties and the Co ions with intermediate spin sates between high and low spins in D4h symmetry. All the compounds showed semiconducting behavior whose electrical conductivity increased with temperature up to 1000 K. The electrical conductiviy increased and the activation energy for the conduction decreased as the number of perovskite layers increased in the compounds with chemical formula An+1BnO3n+1.

Synthesis and In-vitro Activity of Some New Class of Thiazolidinone and Their Arylidene Derivatives

  • Seelam, Nareshvarma;Shrivastava, S.P.
    • Bulletin of the Korean Chemical Society
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    • 제32권11호
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    • pp.3996-4000
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    • 2011
  • In an attempt to find a new class of anti microbial agents, a series of thiazolidinone and their 5-arylidene derivatives containing 4-(4-methyl benzamido)-benzoyl moiety were synthesized via the reaction of benzocaine with appropriate chemical reagents. These compounds were screened for their antibacterial activity against Gram-positive bacteria (Bacillus subtilis and Bacillus thuringiensis), Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa) and antifungal activity against Botrytis fabae, Fusarium oxysporan and Candida albicans. On the other hand the synthesized compounds were also screened for their anti tubercular activity. IR, $^1H$ NMR, $^{13}C$ NMR and MS spectral analyses established the structures of the newly synthesized compounds. The results revealed that some of these compounds have shown promising antimicrobial and anti tubercular activity in comparison with standard drugs.

Quantum Chemical Designing of Novel Organic Non-Linear Optical Compounds

  • Mahmood, Asif;Abdullah, Muhammad Imran;Nazar, Muhammad Faizan
    • Bulletin of the Korean Chemical Society
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    • 제35권5호
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    • pp.1391-1396
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    • 2014
  • In the present study, ten metal free non-linear optical (NLO) compounds have been designed. These compounds have designed by structural modification of (2-cyano-5-(4-(phenyl(4-vinylphenyl)amino)phenyl) penta-2,4-dienoic acid (TC4). Density functional theory was used for structure optimization and determination of photo-physical properties. These compounds contain triphenylamine as electron-donor and cyanoacrylic acid as acceptor. Five ${\pi}$-spacers are used to connect the donor and acceptor. Two auxiliary donors are also used to assist the donor. Results of this study indicate that stronger electron-donating auxiliary groups and longer ${\pi}$-conjugation enhance NLO response. Major absorption peaks of all systems were in the visible region. These absorption peaks are associated with the ${\pi}-{\pi}^*$ transitions of the entire molecule. From calculations it is clear that all system will be good NLO material. The present calculations will provide new ways for experimentalists to synthesize high-performance NLO material.