• Bulletin of the Korean Chemical Society
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• v.21 no.11
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• pp.1119-1124
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• 2000

$\beta-Cyclodextrin$ derivatives connected with diaza-18-crown-6 through flexible bridges (R) at the secondary face 1a-c (1a: R = $-(CH_2)4-;$ 1b: R = $-CH_2CH_2OCH_2CH2-;$ 1c: R = $-(CH_2)8-)$ have been prepared. The associa tion constants of 1 with (2-naphthoxy)alkylammonium ions (2a: alkyl = butyl; 2b: alkyl = octyl) were determined by induced circular dichroism (ICD) spectroscopy and it was found that the derivatization of $\beta-CD$ with the diazacrown resulted in enhanced binding with 2, compared to the native $\beta-CD.$ ICD Characteristics of the host-guest complexes indicate that a part of the alkylammonium moiety of 2 is protruded from the secondary side of the $\beta-CD$ cavity, and the guest molecules 2a and 2b move to the secondary and primary side, respectively, to make the binding of the ammonium group with the diaza-18-crown-6 moiety more feasible. The energy accompanied by the relocation of the guest molecules inside $\beta-CD$ moiety is compensated by the interaction energy between the ammonium ion and diazacrown ether.

• Analytical Science and Technology
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• v.18 no.5
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• pp.391-395
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• 2005

The title complex, $[Cd(N_3)_2(2-ethylimidazole)_2]$, I, has been prepared and characterized by X-ray single crystallography. The complex I crystallizes in the monoclinic system, Cc space group with a = 16.200(3), b = 12.926(3), $c=7.007(1){\AA}$, ${\beta}=102.29(3)^{\circ}$, $V=1433.7(5){\AA}^3$, Z = 4, $R_1=0.0239$ and ${\omega}R_2=0.0604$ for 1874 independent reflections. Cd(II) atom has a slightly distorted octahedral coordination geometry, with four end-on (${\mu}-1$,1) bridging azido ligands and two 2-ethylimidazole ligands bonding through nitrogen atom. The central cadmium(II) atoms are run in parallel to the c-axis and are doubly bridged with neighboring cadmium(II) atoms by the end-on (${\mu}-1$,1) bridging azido ligands. Thus, this complex has a one-dimensional zigzag chain structure in which the 2-ethylimidazole is in the cis conformation.

• Bulletin of the Korean Chemical Society
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• v.26 no.11
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• pp.1728-1734
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• 2005

The interactions of Cu(II)-meso-Tetrakis(n-N-methylpyridiniumyl)porphyrin (n = 2,3,4), respectively referred to as o-, m- and p-CuTMPyP, and DNA, poly$[d(A-T)_2]$ and poly$[d(G-C)_2]$ were investigated by circular and linear dichroism (CD and LD). In the o-CuTMPyP case, in which the rotation of the pyridinium ring is prevented, the shape of the CD spectrum when associated to DNA and poly$[d(A-T)_2]$ resembles and is characterized by a positive band at a low drug to DNA concentration ratio (R ratio) and is bisignate at a high R ratio. The former CD spectrum shape has been attributed to porphyrin that is bound monomerically outside of DNA while the latter can be attributed to those that are stacked. When o-CuTMPyP is bound to poly$[d(G-C)_2]$, the excitonic CD appeared at a relatively high R ratio. In contrast, a characteristic negative CD band in the Soret region was apparent for both m- and p-CuTMPyP when bound to DNA and poly$[d(G-C)_2]$ at the low R ratios, indicating that the porphyrin molecule intercalates. However, the DNA is bent near the intercalation site and the plane of the porphyrin molecule tilts relative to the DNA helix axis, as judged by the magnitude of the reduced LD. Various stacking patterns were identified by the shape of the CD spectrum for m- and p-CuTMPyP when bound to poly$[d(A-T)_2]$. Three species for the former complex and two for the latter complex were found which may reflect the extent of the stacking.

• Genomics & Informatics
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• v.21 no.2
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• pp.17.1-17.12
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• 2023

Coronavirus has left severe health impacts on the human population, globally. Still a significant number of cases are reported daily as no specific medications are available for its effective treatment. The presence of the CD147 receptor (human basigin) on the host cell facilitates the severe acute respiratory disease coronavirus 2 (SARS-CoV-2) infection. Therefore, the drugs that efficiently alter the formation of CD147 and spike protein complex could be the right drug candidate to inhibit the replication of SARS-CoV-2. Hence, an e-Pharmacophore model was developed based on the receptor-ligand cavity of CD147 protein which was further mapped against pre-existing drugs of coronavirus disease treatment. A total of seven drugs were found to be suited as pharmacophores out of 11 drugs screened which was further docked with CD147 protein using CDOCKER of Biovia discovery studio. The active site sphere of the prepared protein was 101.44, 87.84, and 97.17 along with the radius being 15.33 and the root-mean-square deviation value obtained was 0.73 Å. The protein minimization energy was calculated to be -30,328.81547 kcal/mol. The docking results showed ritonavir as the best fit as it demonstrated a higher CDOCKER energy (-57.30) with correspond to CDOCKER interaction energy (-53.38). However, authors further suggest in vitro studies to understand the potential activity of the ritonavir.

• Journal of the Korean Chemical Society
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• v.37 no.2
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• pp.191-198
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• 1993

The crystal structures of $Cd_{6-}A$ evacuated at $2{\times}10^{-6}$ torr and $750^{\circ}C$ (a = 12.204(1) $\AA$) and dehydrated $Cd_{6-}A$ reacted with 0.1 torr of Cs vapor at $250^{\circ}C$ for 12 hours (a = 12.279(1) $\AA$) have been determined by single crystal X-ray diffraction techniques in the cubic space group Pm3m at $21(1)^{\circ}C.$ Their structures were refined to final error indices, $R_1=$ 0.081 and $R_2=$ 0.091 with 151 reflections and $R_1=$ 0.095 and $R_2=$ 0.089 with 82 reflections, respectively, for which I > $3\sigma(I).$ In vacuum dehydrated $Cd_{6-}A$, six $Cd^{2+}$ ions occupy threefold-axis positions near 6-ring, recessed 0.460(3) $\AA$ into the sodalite cavity from the (111) plane at O(3) : Cd-O(3) = 2.18(2) $\AA$ and O(3)-Cd-O(3) = $115.7(4)^{\circ}.$ Upon treating it with 0.1 torr of Cs vapor at $250^{\circ}C$, all 6 $Cd^{2+}$ ions in dehydrated $Cd_{6-}A$ are reduced by Cs vapor and Cs species are found at 4 crystallographic sites : 3.0 $Cs^+$ ions lie at the centers of the 8-rings at sites of $D_{4h}$ symmetry; ca. 9.0 Cs+ ions lie on the threefold axes of unit cell, ca. 7 in the large cavity and ca. 2 in the sodalite cavity; ca. 0.5 $Cs^+$ ion is found near a 4-ring. In this structure, ca. 12.5 Cs species are found per unit cell, more than the twelve $Cs^+$ ions needed to balance the anionic charge of zeolite framework, indicating that sorption of Cs0 has occurred. The occupancies observed are simply explained by two unit cell arrangements, $Cs_{12}-A$ and $Cs_{13}-A$. About 50% of unit cells may have two $Cs^+$ ions in sodalite unit near opposite 6-rings, six in the large cavity near 6-ring and one in the large cavity near a 4-ring. The remaining 50% of unit cells may have two Cs species in the sodalite unit which are closely associated with two out of 8 $Cs^+$ ions in the large cavity to form linear $(Cs_4)^{3+}$ clusters. These clusters lie on threefold axes and extend through the centers of sodalite units. In all unit cells, three $Cs^+$ ions fill equipoints of symmetry $D_{4h}$ at the centers of 8-rings.

• Environmental Analysis Health and Toxicology
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• v.31
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• pp.21.1-21.7
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• 2016

Objectives The present study analyzes metal contamination in sediment of the East Kolkata Wetlands, a Ramsar site, which is receiving a huge amount of domestic and industrial wastewater from surrounding areas. The subsequent uptake and accumulation of metals in different macrophytes are also examined in regard to their phytoremediation potential. Methods Metals like cadmium (Cd), copper (Cu), manganese (Mn), and lead (Pb) were estimated in sediment, water and different parts of the macrophytes Colocasia esculenta and Scirpus articulatus. Results The concentration of metals in sediment were, from highest to lowest, Mn ($205.0{\pm}65.5mg/kg$)>Cu ($29.9{\pm}10.2mg/kg$)>Pb ($22.7{\pm}10.3mg/kg$)>Cd ($3.7{\pm}2.2mg/kg$). The phytoaccumulation tendency of these metals showed similar trends in both native aquatic macrophyte species. The rate of accumulation of metals in roots was higher than in shoots. There were strong positive correlations (p <0.001) between soil organic carbon (OC) percentage and Mn (r =0.771), and sediment OC percentage and Pb (r=0.832). Cation exchange capacity (CEC) also showed a positive correlation (p <0.001) with Cu (r=0.721), Mn (r=0.713), and Pb (r=0.788), while correlations between sediment OC percentage and Cu (r=0.628), sediment OC percentage and Cd (r=0.559), and CEC and Cd (r=0.625) were significant at the p <0.05 level. Conclusions Bioaccumulation factor and translocation factors of these two plants revealed that S. articulatus was comparatively more efficient for phytoremediation, whereas phytostabilization potential was higher in C. esculenta.

• Asian Pacific Journal of Cancer Prevention
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• v.15 no.1
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• pp.161-166
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• 2014

Lung cancer is the most common causes of cancer-related deaths worldwide, and a lack of effective methods for early diagnosis has greatly impacted the prognosis and survival rates of the affected patients. Tumor-initiating cells (TICs) are considered to be largely responsible for tumor genesis, resistance to tumor therapy, metastasis, and recurrence. In addition to representing a good potential treatment target, TICs can provide clues for the early diagnosis of cancer. MicroRNA (miRNA) alterations are known to be involved in the initiation and progression of human cancer, and the detection of related miRNAs in TICs is an important strategy for lung cancer early diagnosis. As Hsa-miR-155 (miR-155) can be used as a diagnostic marker for non-small cell lung cancer (NSCLC), a smart molecular beacon of miR-155 was designed to image the expression of miR-155 in NSCLC cases. TICs expressing CD133 and CD338 were obtained from A549 cells by applying an immune magnetic bead isolation system, and miR-155 was detected using laser-scanning confocal microscopy. We found that intracellular miR-155 could be successfully detected using smart miR-155 molecular beacons. Expression was higher in TICs than in A549 cells, indicating that miR-155 may play an important role in regulating bio-behavior of TICs. As a non-invasive approach, molecular beacons could be implemented with molecular imaging to diagnose lung cancer at early stages.

• Journal of the Korean Electrochemical Society
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• v.14 no.1
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• pp.1-8
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• 2011

Ionic liquids are room-temperature molten salts, composed of organic mostly of organic ions that may undergo almost unlimited structural variation. We approach the new aspects of ionic liquids in applications where the semiconductor nanoparticles used as sensitizers of solar cells. We studied the effects of ionic liquids as capping ligand and/or solvent, on the morphology and phase of the CdSe/ZnS nanoparticles. Colloidal CdSe/ZnS nanoparticles were synthesized using a series of imidazolium ionic liquids; 1-R-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([RMIM][TFSI]), where R = ethyl ([EMIM]), butyl ([BMIM]), hexyl ([HMIM]), octyl ([OMIM]). The average size of nanoparticles was 8~9 nm, and both zinc-blende and wurtzite phase was produced. We also synthesized the nanoparticles using a mixture of trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide ([$P_{6,6,6,14}$][TFSI]) and octadecene (ODE). The CdSe/ZnS nanoparticles have a smaller size (5.5 nm) than that synthesized using imidazolium, and with a controlled phase from zinc-blende to wurtzite by increasing the volume ratio of [$P_{6,6,6,14}$][TFSI]. For the first time, the phase and size control of the CdSe/ZnS nanoparticles was successfully demonstrated using those ionic liquids.

• Journal of Acupuncture Research
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• v.25 no.1
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• pp.25-55
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• 2008

Objectives : The aim of the present study was to observe the effect of Astragali Radix Herbal-Acupuncture Solution(AR-HAS) at $ST_{36}$(jok-samni, $Z\acute{u}s\bar{a}n$ Li) on collagen- II -induced arthritis(CIA) in mice. Methods : DBA/1J mice were immunized with bovine type II collagen(CII) on days 0 and 21 to induce arthritis. The mice were divided into 5 groups : normal group(no CIA), control group(CIA+no treatment), needle prick group(CIA+single prick with an injection needle), saline group(CIA+saline injection) and ARHA group(CIA+ R-HA treatment). The needle prick, saline injection, and AR-HA groups were injected on the right $ST_{36}$(jok-samni) of mice for 9 weeks, 3 times a week, beginning 4 weeks after the booster immunization. Results : 1. The incidence of arthritis, AI(arthritis index), and joint edema decreased in the AR-HA group. 2. Weight gain, hypertrophy of the spleen, adhesion of the tissues, and transformation of the joint were restrained in the AR-HA group. 3. The concentrations of $IL-1{\beta}$, IL-6, $TNF-{\alpha}$, $IFN-{\gamma}$ in CIA mouse serum and $IFN-{\gamma}$, IL-10 in the CIA mouse spleen cell culture decreased significantly at $ST_{36}$ in the AR-HA group. 4. Total cell counts increased significantly, and the ratio of $CD3e^+$ to $CD45R^+$, $CD4^+$ to $CD8^+$, and $CD4^+$ to $CD25^+$ cells decreased significantly at $ST_{36}$ in the CIA mouse spleen cell culture of the AR-HA group. 5. Total cell counts decreased significantly, and $CD4^+/CD25^+$ and $CD45R^+/CD69^+$ decreased significantly at $ST_{36}$ in the CIA mouse lymph nodes of the AR-HA group. 6. $CD3e^+/CD69^+$ and $CD11b^+/Gr-1^+$ cells decreased significantly at $ST_{36}$ in the CIA mouse joints of the AR-HA group. 7. The histological examination showed that cartilage destruction and synoviocyte proliferation decreased in the CIA mouse joints of the AR-HA group, and collagen fiber was expressed similar to that seen in the normal group. Conclusions : Our experiments show that at $ST_{36}$, an anti-inflammatory mechanism of AR-HA controls synovial cell proliferation and protects against cartilage destruction in rheumatoid arthritis.

• Korean Journal of Crystallography
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• v.4 no.2
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• pp.54-62
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• 1993

The crystal shnture of dehydrated fully Cd2+-exchanged zeolite A evacuated at 2 × 10-6 Torr and 650℃ (a:12.189(2) A) and of its iodine sorption corrplex (a:12.168(2)A) have been netsmlmn by single uystal x-ray diffraction techliques in the cubic space group hkTn at 21(1)℃. The strutures were refined to final error indices, Ri:0.057 and R2 =0.063 with 186 reflections and Rl:0.082 and R2:0.085 with 181 reflections, respectively, for which 1>3σ(In both structure, six lie at two distinguished threefold axes of unit cell ten the crystal structure of an iodine sorption complex of Cd6-A four Cd2+ ions are recessed 0.69(1) A into the large cavity to complex each with from the (111) plane of 0(3), whereas two Cd2+ ions recessed 0.68(1) A into the sodalite unit Awximately 4.0 l3ions per nit cell are sorbed. Each bridge between a Cd2+ ion and 8-ring oxygens ((I-I-I)= 117(1) ˚ and 0(1)-I(1)-I(2)=172(1)). The near linear I-I-0 angle and its interatomic distance (I-0=3.57(3) A) are indicative of a weak charge transfer interacticn between the frarrework oxygen and iodine. The existence of In3 inside the large cavity indicates that the If ions and H ions may be produced by reaction of In vapor with water molecules which maybe associated with Cd2+ ions in partially dehydrated Cd6-A In3- ions may be produced by the combination of I- and I2.