• Bulletin of the Korean Chemical Society
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• 제15권8호
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• pp.673-679
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• 1994

$^1H$ NMR spectra of imidazole, 2-and 4(5)-methylimidazole, histamine, L-histidine, L-histidine methyl ester, N${\alpha}$-acetyl-L-histidine, and L-carnosine coordinated to the paramagnetic undecatungstocobalto(II)silicate ($SiW_{11}Co$) and undecatungstonickelo(II)silicate ($SiW_{11}Ni$) anions are reported. For these complexes the ligand exchange is slow on the NMR time scale and the pure resonance lines of the free ligand and the complexes have been observed separately at room temperature. Two different complexes are formed, depending upon which nitrogen atom of the imidazole ring is coordinated to the cobalt or nickel ion of $SiW_{11}M$. Thus the NMR spectrum of a $D_2O$ solution containing a ligand and $SiW_{11}M$ consists of three sets of lines originating from the free ligand and two complexes. All NMR lines of the $SiW_{11}Co$ complexes have been assigned unequivocally using the saturation transfer technique. The temperature dependence of some spectra are also reported. The NMR spectra of some complexes show that the internal rotation of the substituent on the imidazole ring is hampered by the heteropolyanion moiety even at room temperature.

• 대한화학회지
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• 제63권1호
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• pp.29-36
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• 2019

A potentially tetradentate Schiff base ligand, 2-((2-((pyridin-2-ylmethylene)amino)ethyl)amino)ethan-1-ol (PMAE), and its cadmium(II) complex, [$Cd(PMAE)I_2$] (1), were prepared and characterized by elemental analysis, FT-IR, Raman, $^1H$ and $^{13}C$ NMR spectroscopies and single-crystal X-ray diffraction. In the crystal structure of 1, the cadmium atom has a slightly distorted square-pyramidal geometry and a $CdN_3I_2$ environment in which the PMAE acts as an $N_3$-donor. In the crystal packing of the complex, the alcohol and amine groups of the coordinated ligands participate in hydrogen bonding with iodide ions and form $R^2{_2}(14)$ and $R^2{_2}(8)$ hydrogen bond motifs, respectively. In addition to the hydrogen bonds, the crystal network is stabilized by ${\pi}-{\pi}$ stacking interactions between pyridine rings. The thermodynamic stability of the isolated ligand and its cadmium complex along with their charge distribution patterns were studied by DFT and NBO analysis.

• 한국자기공명학회논문지
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• 제6권2호
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• pp.94-102
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• 2002

An interesting recent application of intermolecular NOE experiment is the saturation transfer difference NMR(STD-NMR) method that is useful in screening compound libraries to identify bio-active ligands. This technique also identifies the group epitopes of the bound ligand in a reversibly forming protein-ligand complex. We present here a complete relaxation and conformational exchange matrix (CORCEMA) theory (Moseley et al., J. Magn. Reson. B, 108, 243-261 (1995)) applicable for the STD-NMR experiment. Using some ideal model systems we have analyzed the factors that influence the STD intensity changes in the ligand proton NMR spectrum when the resonances from some protons on the receptor protein are saturated. These factors will be discussed and some examples of its application in some model systems will be presented. This CORCEMA theory for STD-NMR and the associated algorithm are useful in a quantitative interpretation of the STD-NMR effects, and are likely to be useful in structure-based drug design efforts. They are also useful in a quantitative characterization of protein-protein (or protein-nucleic acid) contact surfaces from an intermolecular cross-saturation NMR experiment.

• 센서학회지
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• 제33권2호
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• pp.93-97
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• 2024

With the development of promising future mobility and urban air mobility (UAM) technologies, the demand for LIDAR sensors has increased. The SWIR photodetector is a sensor that detects lasers for the 3D mapping of lidar sensor and is the most important technology of LIDAR sensor. An SWIR photodetector based on QDs in an eye-safe wavelength band of over 1400 nm has been reported. QDs-based SWIR photodetectors can be synthesized and processed through a solution process and have the advantages of low cost and simple processing. However, the organic ligands of QDs have insulating properties that limit their ability to improve the sensitivity and stability of photodetectors. Therefore, the technology to replace organic ligands with inorganic ligands must be developed. In this study, the organic ligand of the synthesized PbS QDs was replaced with a MAPI inorganic ligand, and an SWIR photodetector was fabricated. The analysis of the characteristics of the manufactured photodetector confirmed that the photodetector based on MAPI-capped PbS QDs exhibited up to 26.5% higher responsivity than that based on organic ligand PbS QDs.

• 분석과학
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• 제37권4호
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• pp.239-250
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• 2024

This study reports the synthesis of a bi-dentate Schiff base ligand (L), 7-(2-((2-formylbenzylidene) amino)-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, prepared from phthalaldehyde and cephalexin antibiotic. The synthesized Schiff base ligand (L) and the secondary ligand alizarin (Az) are used to prepare the new complexes [M(Az)₂(L)] and [Cr(Az)₂(L)]Cl, where M = Mn(II), Co(II), Ni(II), Cu(II), and Zn(II). The mode of bonding of the Schiff base has been characterized by UV-Visible, FT-IR, Mass, ¹H-, and ¹³C-NMR spectroscopic techniques, and micro elemental analysis (CHNS). The complexes were characterized using UV-Vis, FT-IR, molar conductance, magnetic moment, and thermal analysis (TG/DTG). The molar conductance data revealed that the complexes are non-electrolytes except for [Cr(L)(Az)₂]Cl, which is an electrolytic type 1:1. The Schiff base and its complexes have been tested for their biological activity against two strains of bacteria and one fungus. When screened against gram-positive and gram-negative pathogens, the Az and L ligands and their complexes showed potential antimicrobial activity.

• 한국지하수토양환경학회지:지하수토양환경
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• 제16권4호
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• pp.23-30
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• 2011

Risk based pollution level of Pb and Cd in metal contaminated soils depending on physicochemical properties of soil in a target site was assessed using biotic ligand model. Heavy metal activity in soil solution defined as exposure activity (EA) was assumed to be toxic to Vibrio fischeri and soil organisms. Predicted effective activity (PEA) determined by biotic ligand model was compared to EA value to calculate risk quotient. Field contaminated soils (n = 10) were collected from a formes area and their risk based pollution levels were assessed in the present study using the calculated risk quotient. Concentrations of Pb determined by aqua regia were 295, 258, and 268 mg/kg in B, H and J points and concentrations of Cd were 4.73 and 6.36 mg/kg in G and I points, respectively. These points exceeded the current soil conservation standards. However, risk based pollution levels of the ten points were not able to be calculated because concentrations of Pb and Cd in soil solution were smaller than detection limits or one (i.e., non toxic). It was because heavy metal activity in soil solution was dominant toxicological form to organisms, not a total heavy metal concentration in soil. In addition, heavy metal toxicity was decreased by competition effect of major cations and formation of complex with dissolved organic carbon in soil solution. Therefore, it is essential to consider site-specific factors affecting bioavailability and toxicity for estimating reliable risk of Pb and Cd.

• Bulletin of the Korean Chemical Society
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• 제35권11호
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• pp.3199-3204
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• 2014

Two novel phosphorescent heteroleptic cationic Ir(III) complexes, Ir(bt)2(dmpe) (Ir1) and Ir (bt)2(dppe) (Ir2), where bt is 2-phenylbenzothiazole, dmpe is 1,2-bis(dimethylphosphino)ethane, and dppe is 1,2-bis(diphenyl-phosphino) ethane, were designed and synthesized. Their photophysical and electrochemical properties and the X-ray structure of the Ir1 complex were investigated. The prepared Ir(III) complexes exhibited blue-green emissions at 503-538 nm with vibronic fine structures in dichloromethane solution and PMMA film, implying that the lowest excited states are dominated by ligand-based $^3{\pi}-{\pi}^*$ transitions. The ${\pi}$-acceptor ability of the diphosphine ancillary ligand leads to blue-shift emission. The room temperature photoluminescent quantum yields (PLQYs) of Ir1 and Ir2 were 52% and 45%, respectively, in dichloromethane solution. These high PLQYs resulted from steric hindrances by the bulky cationic iridium complexes. The crystal structure of Ir1 was determined by X-ray crystallography, which revealed that central iridium adopted a distorted octahedral structure coordinated with two bt ligands (N^C) and one dmpe ligand (P^P) showing cis C-C and trans N-N dispositions. The bent nature of the dmpe ligand resulted in a relatively wide bite angle of $83.83^{\circ}$ of P-Ir-P.

• BMB Reports
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• 제36권2호
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• pp.207-213
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• 2003

Peroxisome proliferator-activated receptors (PPARs) are orphan nuclear hormone receptors that are known to control the expression of genes that are involved in lipid homeostasis and energy balance. PPARs activate gene transcription in response to a variety of compounds, including hypolipidemic drugs. Most of these compounds have high affinity to the ligand-binding domain (LBD) of PPARs and cause a conformational change within PPARs. As a result, the receptor is converted to an activated mode that promotes the recruitment fo co-activators such as the steroid receptor co-activator-1 (SRC-1). Based on the activation mechanism of PPARs (the ligand binding to $PPAR{\gamma}$ induces interactions of the receptor with transcriptional co-activators), we performed Western blot and ELISA. These showed that the indomethacin, a $PPAR{\gamma}$ ligand, increased the binding between $PPAR{\gamma}$ and SRC-1 in a ligand dose-dependent manner. These results suggested that the in vitro conformational change of $PPAR{\gamma}$ by ligands was also induced, and increased the levels of the ligand-dependent interaction with SRC-1. Collectively, we developed a novel and useful ELISA system for the mass screening of $PPAR{\gamma}$ ligands. This screening system (based on the interaction between $PPAR{\gamma}$ and SRC-1) may be a promising system in the development of drugs for metabolic disorders.

• 대한화학회지
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• 제17권3호
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• pp.169-173
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• 1973

세자리 schiff base리간드로서 salicylidene amino-o-hydroxy benzene 은 salicylaldehyde와 o-amino phenol로서 합성하였으며 이 세자리 schiff base 리간드와 Mo(VI), Mo(V), Mo(IV) 및 Mo(III) 의 과산화상태의 몰리브덴 착물들의 반응으로 새로운 착물[Mo O$_2(H_2O)\;(C_{13}H_9O_2N)]$, [MoO Cl(H$_2O)(C_13H_9O_2N)]$, $[Mo(SCN)_2(H_2O)(C_{13}H_9O2_N)]$ 및 $[Mo(H_2O)_2 (C_{13}H_9O_2N)]_2O$들을 얻었다. 이들 착물에서 Mo(VI), Mo(V) 및 Mo(IV)착물들은 리간드와 몰리브덴의 mole비가 1:1인 착물로서 몰리브덴 이온은 6배위 팔면체로서 주어지나 Mo(III) 착물은 Mo-O-Mo의 산소 bridge bond를 갖는 poly nuclear 착물로서 mole비 1:1인 착물로 주어짐을 원소분석치와 자외선흡광도 및 적외선 spectra의 고찰로서 알아보았다.

• Biomolecules & Therapeutics
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• 제4권1호
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• pp.97-102
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• 1996

To investigate whether human $\beta$$_2$-adrenergic receptor devoid of the C-terminal two transmembrane helices retain its ligand binding activity and specificity, 5'780-bp DNA fragment of the receptor gene which encodes amino acid 1-260 of human $\beta$$_2$-adrenergic receptor was subcloned into the bacterial fusion protein expression vector and expressed as a form of glutathione-S-transferase (GST) fusion protein in E. coli DH5$\alpha$. The receptor fusion protein was expressed as a membrane bound form which was verified by SDS-PAGE and Western blot. The fusion protein expressed in this study specifically bound $\beta$-adrenergic receptor ligand [$^3$H] Dihydroalprenolol. In saturation ligand binding assay, the $K_{d}$ value was 7.6 nM which was similar to that of intact $\beta$$_2$-adrenergic receptor in normal animal tissue ( $K_{d}$=1~2 nM) and the $B_{max}$ value was 266 fmol/mg membrane protein. In competition binding assay, the order of binding affinity of various adrenergic receptor agonists to the fusion protein was isoproterenol》epinephrine norepinephrine, which was similar to that of intact receptor in normal animal tissue. These results suggest that N-terminal five transmembrane helices of the $\beta$$_2$-adrenergic receptor be sufficient to determine the ligand binding activity and specificity, irrespective of the presence or absence of the C-terminal two transmembrane helices.s.s.s.