Nm For Compounds Research Articles

Designing Zero-Dimensional Cadmium-Based Organic-Inorganic Hybrids: The Role of Halogen Doping in Modulating Multifunctional Properties.

Advances in materials science are increasingly dependent on the development of multifunctional materials capable of improving system efficiency and reducing the environmental impact. In this study, two zero-dimensional (0D) cadmium-based organic-inorganic hybrid materials (BEMPD)2CdBr4 (BEMPD-Br, 1) and (BEMPD)2CdBr2Cl2 (BEMPD-ClBr, 2) (BEMPD = 1-(2-bromoethyl)-1-methylpiperidine) were prepared by halogen doping. Compound 2 is a mixed halide in which there are two halogen sites, Cl and Br, and in a disordered state, which has a regulatory effect on the structural distortion and properties of the compound. The Curie temperatures of compounds 1 and 2 are 348 and 390 K, respectively, and the UV-vis absorption spectra showed that the direct band gaps of compounds 1 and 2 were 4.68 and 4.8 eV, respectively. In addition, room-temperature photoluminescence experiments show broadband emission peaks at 717 and 683 nm for compounds 1 and 2, respectively, with fluorescence lifetimes of 2.414 and 3.915 μs. These 0D hybrids provide an avenue for the development of smart materials and optoelectronic devices, and also provide positive clues for manipulating the properties of organic-inorganic hybrid compounds.

New insights into the effects of organometallic ruthenium complexes on nicotinic acetylcholine receptors

Nicotinic acetylcholine receptors (nAChRs) are expressed in excitable and non-excitable cells of the organism. Extensive studies suggest that nAChR ligands have therapeutic potential, notably for neurological and psychiatric disorders. Organometallic ruthenium complexes are known to inhibit several medically important enzymes such as cholinesterases. In addition, they can also interact with muscle- and neuronal-subtype nAChRs. The present study aimed to investigate the direct effects of three organometallic ruthenium complexes, [(η6-p-cymene)Ru(II)(5-nitro-1,10-phenanthroline)Cl]Cl (C1–Cl), [(η6-p-cymene)Ru(II)(1-hydroxypyridine-2(1H)-thionato)Cl] (C1a) and [(η6-p-cymene)Ru(II)(1-hydroxy-3-methoxypyridine-2(1H)-thionato)pta]PF6 (C1), on muscle-subtype (Torpedo) nAChRs and on the two most abundant human neuronal-subtype nAChRs in the CNS (α4β2 and α7) expressed in Xenopus laevis oocytes, using the two-electrode voltage-clamp. The results show that none of the three compounds had agonistic activity on any of the nAChR subtypes studied. In contrast, C1–Cl reversibly blocked Torpedo nAChR (half-reduction of ACh-evoked peak current amplitude by 332 nM of compound). When tested at 10 μM, C1–Cl was statistically more potent to inhibit TorpedonAChR than α4β2 and α7 nAChRs. Similar results of C1 effects were obtained on Torpedo and α4β2 nAChRs, while no action of the compound was detected on α7 nAChRs. Finally, the effects of C1a were statistically similar on the three nAChR subtypes but, in contrast to C1–Cl and C1, the inhibition was hardly reversible. These results, together with our previous studies on isolated mouse neuromuscular preparations, strongly suggest that C1–Cl is, among the three compounds studied, the only molecule that could be used as a potential myorelaxant drug.

Theoretical study the photophysical mechanism of fluorescent probe on detecting mitochondria-targeted hydrogen peroxide

The photophysical mechanism and dynamics behaviors of (E)-4-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)vinyl)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyridin-1-ium (Compound 1) on detecting hydrogen peroxide (H2O2) has been theoretically studied. The boron ester in Compound 1 is cleaved when H2O2 is added to the solution, resulting in the formation of (E)-7-(diethylamino)-3-(2-(pyridin-4-yl)vinyl)-2H-chromen-2-one (Compound 2). Theoretical calculations show that the fluorescence spectra of the compounds exhibit a significant blue shift from 616 nm of Compound 1 to 542 nm of Compound 2 before and after the reaction, which are in good agreement with the experimental results (640 nm → 535 nm). The calculated electron–hole transfer distance of Compound 1 (5.986 Å) is larger than that of Compound 2 (3.544 Å), and Compound 1 is demonstrated to be charge transfer excitation while the Compound 2 is localized excitation, which results in a blue shift of the fluorescence spectra. The analysis of molecular electrostatic potential demonstrates that compound 1 has the highest electrostatic potential (4.60 eV) at the pyridine position and the lowest (−0.30 eV) at the oxygen atom of the coumarin moiety, suggesting that compound 1 undergoes fragmentation at this position. This study provides a theoretical explanation for the reaction mechanism of molecular probes.

Di- and Tricyanovinyl-Substituted Triphenylamines: Structural and Computational Studies.

We report herein on the solid-state structures of three closely related triphenylamine derivatives endowed with tricyanovinyl (TCV) and dicyanovinyl (DCV) groups. The molecules described contain structural features commonly found in the design of functional organic materials, especially donor-acceptor molecular and polymeric architectures. The common feature noticeable in these structures is the impact of these exceptionally strong electron-accepting groups in forcing partial planarity of the portion of the molecule carrying these groups and directing the molecular packing in the solid state, resulting in the formation of π-stacks of dimers within the unit cell of each. Stacks are formed between phenyl groups bearing electron-accepting groups on two adjacent molecules. Short π-π stack distances ranging from 3.283 to 3.671 Å were observed. Such motif patterns are thought to be conducive for better charge transport in organic semiconductors and enhanced device performance. Intramolecular charge transfer is evident from the shortening of the observed experimental bond lengths in all three compounds. The nitrogen atoms (of the cyano groups) have been shown to be extensively involved in short contacts in all three structures, primarily through C-H···NC interactions with distances as short as 2.462 Å. The compounds reported here are (3,3-dicyano-2-(4-(diphenylamino)phenyl)-1λ3-allylidene)amide or tricyanovinyltriphenylamine, Ph3NTCV (1); 2-(4-(diphenylamino)benzylidene)-malononitrile or dicyanovinyltriphenylamine, Ph3NDCV (2); and (3,3-dicyano-2-(4-(di-p-tolylamino)phenyl)-1λ3-allylidene)amide or dimethyltricyanovinyltriphenylamine, Me2Ph3NTCV (3). Results of density functional theory calculations using DFT-B3LYP/6-31G(d,p) indicate the lowering of LUMO levels as a result of the introduction of these groups with band gaps of 3.13, 2.61, and 2.55 eV for compounds 1-3, respectively, compared with 4.65 eV calculated for triphenylamine. This is supported by the electronic and fluorescence spectra of these molecules with absorption λmax of 483, 515, and 545 nm for compounds 1, 2, and 3, respectively.

Indolyl-4H-Chromene Derivatives as Antibacterial Agents: Synthesis, in Vitro and in Silico Studies.

In this study, indolyl-4H-chromene derivatives are designed and synthesised using an eco-friendly multicomponent one-pot synthesis using benzaldehydes, nitroketene N, S-acetals, and indoles combine with InCl3 , a Lewis acid catalyst, and ethanol, an environmentally acceptable solvent. Due to antibiotic resistance, assessed these Indolyl-4H-chromene derivatives for their in vitro antibacterial activity against Gram-positive and Gram-negative bacteria, including Streptococcus pyogenes, Staphylococcus aureus, Clostridium pyrogenes, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa, using the agar well diffusion method and Minimum Inhibition Concentration (MIC) assay. Three compounds, 4-(1H-indol-3-yl)-6-methoxy-N-methyl-3-nitro-4H-chromen-2-amine, 4-(1H-indol-3-yl)-3-nitro-N-phenyl-4H-chromen-2-amine and 4-(6-Fluoro-1H-Indol-3-yl)-N-methyl-3-nitro-4H-chromen-2-amine showed better zone of inhibition (mm) and Minimum Inhibition Concentration (MIC) values of 10 μg/mL to 25 μg/mL against all bacterial types. The Ki values of 278.60 nM and 2.21 nM for compound 4-(1H-indol-3-yl)-3-nitro-N-phenyl-4H-chromen-2-amine showed improved interactions with DNA gyrase B and topoIV ParE's ATP binding sites in in silico studies.

Heterocyclic boronates as colorimetric and chemical sensors for dialkyltin derivatives

The relevance of recognition for diorganotin (IV) species has been increased due to biological and environmental issues. The development of molecules able to carry out the recognition process of diorganotin (IV) compounds by simple analytical techniques is an interesting research topic. This paper describes the synthesis of three heterocyclic boronates obtained by the reaction of one equivalent of 5-formyl-2-furanboronic acid with two equivalents of 2-aminophenol (1), 4‑hydroxy-3-aminobenzoic acid (2) or 4-nitro-2-aminophenol (3). Reactions resulted in a π-conjugated systems by the formation of two new six membered fused heterocycles since the furan ring opening, as corroborated by single X-ray diffraction analysis for compound 1. Compounds 1–3 are green-colored solids with melting points higher than 300 °C. A solvatochromic effect was observed having the absorption band maxima values between 525 and 600 nm. The presence of donor atoms (N, O) in the boronates allow the use as chemical sensors for dialkyltin derivatives (Me2SnO, Bu2SnO, Me2SnCl2, Bu2SnCl2) by UV–Vis and fluorescence techniques. The recognition process for dialkyltin derivates was detected by color changes in solution and even because the presence of a new absorption band in UV–Vis spectra which is shifted to 600 and 621 nm for compounds 1 and 2, respectively. Boronate 2 showed lower Limit Of Detection values (LOD) of 237 nM for Me2SnCl2 and 234 nM for Bu2SnCl2. Less affinity was noticed for trialkyl derivates ((CH3)3SnCl and (CH3)3SnOH).

HPLC analysis of 16 compounds from Artemisia ordosica

ObjectiveTo establish a high-performance liquid chromatographic method (HPLC) for the simultaneous determination of 16 compounds from Artemisia ordosica. MethodsHPLC was used to analyze 16 quality indicators of A. ordosica. The HPLC conditions were as follows: Agilent Eclipse Plus C18 column (250 mm × 4.6 mm, 5 μm) with acetonitrile (A)-water (B) as mobile phase, gradient elution: 0–10 min, 75%−65% B; 10–30 min, 65%−35% B; and finally 30–40 min, 35%−15% B. The flow rate was 1.0 mL/min, the column temperature was 40 °C, the injection volume was 10 μL, and monitored by absorbance at 285 nm for compounds 1–10, 12 and 225 nm for compounds 11, 13–16. ResultsUnder the selected experimental chromatographic conditions, compounds 1–16 showed good linearity (r > 0.9993) in a wide concentration range. Their average recoveries were 99.50%, 95.38%, 97.75%, 96.00%, 98.20%, 97.50%, 95.50%, 99.33%, 96.75%, 96.50%, 98.50%, 97.83%, 99.20%, 95.33%, 97.33% and 96.30%, respectively, and the RSD were 1.99%, 1.81%, 1.63%, 1.98%, 1.67%, 1.92%, 1.74%, 1.67%, 1.90%, 1.72%, 1.88%, 1.83%, 1.79%, 1.76%, 1.81% and 1.96%, respectively. ConclusionBased on the results of the HPLC analysis, it was concluded that p-hydroxycinnamic acid (1), O-hydroxycinnamic acid (2), coniferyl alcohol (5), 5,4′-dihydroxy-7,3′-dimethoxyflavanone (8), 5,4′-dihydroxy-7-methoxyflavanone (9), 5-hydroxy-7,4′-dimethoxyflavanone (12), dehydrofalcarindiol (13), arteordoyn A (14), dehydrofalcarinol (15) and capillarin (16) are best suited for the role of quality indicators of A. ordosica grown in different ecological environments.

Enhanced hydrogen adsorption in alkali metal based copper hexacyanoferrate Prussian blue analogue nanocubes

Two Prussian blue analogues (PBAs) CuII[FeIII(CN)6)]2/3·15H2O (1), and KICuII[FeII(CN)6)]3/4·9H2O (2) are synthesised using a co-precipitation method at room temperature. The compounds are studied using XRD (x–ray diffraction), FESEM (Field Emission Scanning Electron Microscopy), IR (infrared), Raman spectroscopy, and TGA (thermogravimetric analysis). The surface morphology of the compounds is investigated using the FESEM technique, which confirms the formation of cube-type microstructure with an average size of ∼200 and ∼120 nm for compounds (1), and (2), respectively. The x-ray diffraction (XRD) results, derived from the Rietveld refinement method, reveal that both the compound crystallized in a pure single nanocrystalline phase with face centred cubic crystal structure of space group Fm3m. The lattice constants are found to be ∼10.04, and ∼10.08 Å for the compound (1), and (2) respectively. The IR and Raman spectroscopy show characteristic peaks, observed in the range of 1900–2200 cm−1, corresponds to the CN stretching frequency of CuII–CN–FeIII/II, confirming the formation of PBAs compounds. The hydrogen adsorption isotherm measurements have been used to investigate the molecular hydrogen adsorption into PBAs compounds at low temperature (77 K) conditions. The compounds (1) and (2) show hydrogen storage capacity of ∼1.12 and 1.63 wt %, respectively. The compound (2) shows an enhanced hydrogen capacity of ∼45% as compared to compound (1), which is due to the presence of unsaturated Cu/Fe metal ions, and the larger surface area of the nanocubes in the framework structure. In addition, the presence of K+ ions in the compound (2) also strongly favours to catalysing more H2 for their enhanced storage capacity.

Drug Ambroxol-based luminescent materials with sulfonate group: Synthesis, crystal structure and Hirshfeld surface analysis

Two new salts with ambroxol moieties, namely, n[HAX]+ nRT– H2O (RT ​= ​MBS (n ​= ​2, 1) and SBS (n ​= ​1, 2)) [AX ​= ​4-((2-amino-3,5-dibromobenzyl)amino) cyclohexan-1-ol, MBS ​= ​p-toluenesulfonic acid, SBS ​= ​sulfosalicylic acid], which were obtained through the mixture of AX and two phenyl sulfonic acid, respectively. The emission peaks located at 526 and 471 ​nm can be observed for compounds 1 and 2 in the solid state at room temperature, respectively. Compared with the AX itself, the red-shifted values can be observed to be 140 and 85 ​nm for compounds 1 and 2, respectively, revealing that the luminescent maxima are proportional to the intermolecular stacking distances. The decay lifetimes of AX, 1 and 2 can be found to be 0.643, 0.671 and 0.589 ns, respectively. Additionally, the quantum yields of 14.7%, 1.2% and 37.1%, respectively. Compounds 1 and 2 were structurally characterized by X–ray single crystal diffraction, EA, UV–Vis and FT-IR spectra. Single crystal X-ray diffraction reveals that there exists an order of packing distances, which is in a good agreement with that of luminescent maxima. The results calculated by Hirshfeld surface show that the close contacts of C⋯H/H⋯C can be responsible for the luminescent behaviors. The O⋯H/H⋯O close contacts can account for the melting points of compounds. Additionally, the thermal properties for compounds 1 and 2 have been discussed in detail.

Tunable Ambroxol-based luminescent materials: Syntheses, crystal structure and Hirshfeld surface analysis

Two new salts with ambroxol moieties, namely, [HAX]+TR– nH2O (TR ​= ​OA (n ​= ​0 (1), PA (n ​= ​1) (2)) [AX ​= ​4-((2-amino-3,5-dibromobenzyl)amino) cyclohexan-1-ol, OA ​= ​o-chloro-benzoic acid, PA ​= ​p-chloro-benzoic acid], were obtained by the reaction of AX and two organic aromatic acids, respectively. The emission maxima can be found at 467 and 475 ​nm for compounds 1 and 2 in the solid state at room temperature, respectively. Compared with the free AX, the red-shifted values are about 81 and 89 ​nm for compounds 1 and 2, respectively, indicating that the emission maxima are proportional to the intermolecular packing interactions. Compounds 1 and 2 were structurally characterized by X–ray single crystal diffraction, EA, UV–Vis and FT-IR spectra. Single crystal X-ray diffraction reveals that the order of π⋯π stacking interactions is consistent with that of luminescent peaks. The Hirshfeld surface analysis confirm that the H⋯H and C⋯H/H⋯C close contacts can account for the luminescent behaviors. The close contacts of Br⋯H/H⋯Br, O⋯H/H⋯O and Cl⋯H/H⋯Cl can be responsible for the melting points of both compounds. Additionally, the thermal properties for compounds 1 and 2 have been discussed in detail.

Effect of alkyl chains on luminescence properties with 3-hydroxy-2-naphthoate esters

A set of naphtholate esters have been prepared through the esterification reaction of hydroxy3-hydroxy-2-naphthoic acid with a series of organic alcohol (methanol, ethanol, n-propanol and i-propanol, respectively) in the presence of H2SO4. The title compounds were characterized by FT-IR, UV–Vis, elemental analysis (EA) and single-crystal X-ray diffraction. Compound 3 crystallizes in space group P-1, while compounds 1, 2 and 4 do in space group P21/c. There exist the hydrogen bonds (C/O-H···O) and the packing interactions between aromatic rings. The maximal emission peaks of compounds 1–4 can be found at 550, 551, 562 and 534 nm in the solid state, respectively; the maxima are 420, 435, 440 and 439 nm for compounds 1–4 in the solution, respectively, revealing that the luminescence maxima increase with the increase of the alkyl chain-lengths. Further, the Hirshfeld surface analysis confirms that the order of the maximal peaks is in an accordance with that of C···H/H···C interactions.

Radiolabelled CCK2 R Antagonists Containing PEG Linkers: Design, Synthesis and Evaluation.

The cholecystokinin-2/gastrin receptor (CCK2 R) is considered a suitable target for the development of radiolabelled antagonists, due to its overexpression in various tumours, but no such compounds are available in clinical use. Therefore, we designed novel 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid-conjugated ligands based on CCK2 R antagonist Z360/nastorazepide. As a proof of concept that CCK2 R antagonistic activity can be retained by extending the Z360/nastorazepide structure using suitable linker, we present herein three compounds containing various PEG linkers synthesised on solid phase and in solution. The antagonistic properties were measured in a functional assay in the A431-CCK2 R cell line (in the presence of agonist G17), with IC50 values of 3.31, 4.11 and 10.4 nM for compounds containing PEG4 , PEG6 and PEG12 , respectively. All compounds were successfully radiolabelled with indium-111, lutetium-177 and gallium-68 (incorporation of radiometal >95 %). The gallium-68-labelled compounds were stable for up to 2 h (PBS, 37 °C). log D7.4 values were determined for indium-111- and gallium-68-labelled compounds, showing improved hydrophilicity compared to the reference compound.

Investigation on Y-shaped tri-fluoromethyl substituted quinoxalines: synthesis, optical and morphological studies

Y-shaped tri-fluoromethyl substituted quinoxaline derivatives 2,3-bis(4-methoxyphenyl)-6-(trifluoromethyl)quinoxaline (1) and 2,3-bis((E)-4-methoxystryryl)-6-(trifluoromethyl)quinoxaline (2) have been synthesized and characterized using various analytical and spectroscopic techniques (1H,13C, 19F NMR, FT-IR and HR-Mass). Optical properties such as absorption, emission, quantum yield, effect of solvent polarities and Aggregation Induced Emission (AIE) have been illustrated. The compound 1 exhibited negative solvatochromism and compound 2 positive solvatochromism which are in correlation with π* values by Kamlet and Taft. Compounds 1 and 2 showed large Stoke’s shifts attributed to more polar excited state of the compounds as compared to that of polar ground state, due to the presence of electron withdrawing trifluoromethyl group. Both the compounds displayed fluorescence in solid state and AIE state due to the restricted intramolecular rotation. The compounds 1 and 2 exhibited low quantum yields because of ICT (Intramolecular charge transfer) attributed to the presence of electron-donating methoxy phenyl unit and an electron-withdrawing quinoxaline unit. AIE exhibited by both the compounds in THF/water mixture were due to the formation of nano-aggregates, it is further characterised by DLS and determined the particle size to be 196.8 nm for compound 1 and 197.3 nm for compound 2. Compound 1 appeared as ice flakes and compound 2 as a cluster consisting of various micro crystals like projections in the images determined by scanning electron microscope (SEM).

Abstract 4154: EOS100850 inhibits A2A receptor signaling in human whole blood: Two pharmacodynamic assays to monitor EOS100850 activity in clinical studies

Abstract High levels of extracellular adenosine in the tumor microenvironment promote tumor immune evasion. We and others have shown that adenosine, predominantly through the A2A receptor, suppresses innate and adaptive immune cell responses leading to suppression of antitumor immunity. We therefore developed EOS100850, an A2A receptor antagonist specifically designed as a potent, highly selective, non-brain penetrant, orally administered agent to treat a wide range of tumor types. To monitor A2A receptor engagement by EOS100850 in clinical studies, we developed two pharmacodynamic assays that allow to quantify the inhibition of adenosine signaling in cancer patients dosed with this compound. The assays were developed and optimized to: 1) minimize the amount of patient blood required for each test; 2) minimize sample manipulation; 3) allow marker quantification in cryopreserved samples. The first assay is based on the quantification of phosphorylated cAMP response-element binding protein (pCREB) as a proximal readout of A2A receptor signaling. Whole blood is ex vivo stimulated with the A2A receptor agonist CGS-21608, or with dimethyl sulfoxide or phorbol-12-myristate-13 acetate and ionomycin as controls, and pCREB in CD4+ and CD8+ cells is analyzed by flow cytometry. After having confirmed that pCREB was rapidly induced after incubation with CGS-21680 (median fold-induction in 24 healthy donors was 5.4 and 4.0 in CD4+ and CD8+ cells, respectively), we showed that EOS100850 inhibited CGS-21608-induced pCREB in a dose-dependent manner, with an IC50 of 9.7 nM and 11.2 nM, respectively, for CD4+ and CD8+ T cells, and 83-87% signal inhibition in the presence of 40 nM EOS100850 (data from 10 donors). The second assay is based on the quantification of soluble mediators as a distal readout of A2A receptor signaling. Stimulation of whole blood with lipopolysaccharide (LPS) normally induces the release of innate cytokines and chemokines, but in the presence of the A2A receptor agonist CGS-21680, LPS activity is impaired. In this assay, whole blood is ex vivo stimulated with LPS in the presence or in the absence of CGS-21608 using TruCulture tubes (Myriad RBM), and secreted mediators are quantified using the human multianalyte profile immunoassay platform. After having confirmed that CGS-21680 induced a profound (>50%) alteration of cytokine secretion in LPS-stimulated blood, we showed that EOS100850 restored IFN-γ, IL-8, IL-10 and TNF-α secretion in a dose-dependent manner, with a complete rescue at 40-100 nM of compound (data from 3 donors). Both the assays were qualified in terms of precision, robustness and stability using blood of healthy volunteers, applied to blood of five cancer donors and are now ready to be used for the clinics. Citation Format: Chiara Martinoli, Margreet Brouwer, Erica Houthuys, Marjorie Mercier, Noemie Wald, Bruno Gomes, Stefano Crosignani, Veronique Bodo. EOS100850 inhibits A2A receptor signaling in human whole blood: Two pharmacodynamic assays to monitor EOS100850 activity in clinical studies [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2019; 2019 Mar 29-Apr 3; Atlanta, GA. Philadelphia (PA): AACR; Cancer Res 2019;79(13 Suppl):Abstract nr 4154.

Abstract 5138: Inhibition of kPNB1 and NUPR1 binding increase the anti-cancer drug sensitivity

Abstract Karyopherin beta 1 (KPNB1, known as importin beta 1) is carrier protein, it is known as transporter of protein from cytoplasm to nucleus through nuclear pore complexes (NPCs) using KPNAs as an adapters. The nuclear protein-1 (NUPR1, known as p8/Com-1) is identified as a transcription factor and it is showed multifunctional mechanisms related to cellular stress response such as serum-starvation, oxidative stress and drug stimulation. In this study, we investigated protein-protein interaction between NUPR1 and KPNB1, it might be a new target for cancer therapy.For the evaluation of binding affinity between protein and inhibition effect by compound 1, we processed the single molecule binding assay. Cytotoxicity of combination treatment with doxorubicin and compound 1 were validated several cancer cell lines such as MDA-MB-231, PC-3, SK-OV-3, and SiHa. Gene expression patterns were analyzed RNA-Seq and validated with qRT-PCR and western-blotting. KPNB1 bind to NUPR1 as a high affinity compare to KPNB1 single treatment assay and there was no difference according to concentration of NUPR1. KPNB1 and NUPR1 protein-protein interaction was inhibited by compound 1 according to concentration of compound 1 showed 71%, 44%, and 31% of inhibition rate with 50nM, 10nM, 2.5nM of compound 1, respectively. In doxorubicin single treatment, NUPR1 move to nucleus more than 90% of cells compare to non-treated MDA-MB-231 cells. Otherwise, NUPR1 was exist both nucleus and cytoplasm more than 90% cells, which is indicate that translocation of NUPR1 to the nucleus was blocked by compound 1 treatment. And combination treatment showed synergistic effect of cytotoxicity in various cancer cells such as such as MDA-MB-231, SiHa, PC-3, and SK-OV-3 (1.4 ~ 6 fold). Additionally, NUPR1 related genes were showed change of gene expression in compound 1 combination compared to doxorubicin single treatment. In these results suggest that translocation mechanism of NUPR1 into nucleus bind to KPNB1 and this binding was inhibited by compound 1 which is new candidate drug combination method for cancer therapy. Citation Format: Chan Hee Park, Seung Wook Ham, HyeKyoung Shin, Kyung Soo Oh. Inhibition of kPNB1 and NUPR1 binding increase the anti-cancer drug sensitivity [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2019; 2019 Mar 29-Apr 3; Atlanta, GA. Philadelphia (PA): AACR; Cancer Res 2019;79(13 Suppl):Abstract nr 5138.

Syntheses, Crystal Structures and Properties of Two Novel Mixed Anion Hybrids with Formulas of Pb6O2(BO3)2(C2O4) and Pb4(CO3)2(C2O4)(OH)2

AbstractIt has been regarded as an ideal strategy to design and synthesize new compounds by combining different functional groups together. Based on numerous experiments, it is successful to assemble two kinds of mixed anion groups together and obtain two novel mixed‐anion hybrids, namely, Pb6O2(BO3)2(C2O4) (1) and Pb4(CO3)2(C2O4)(OH)2 (2) under hydrothermal condition. In compound 1, three oxolead polyhedra share edges into a Pb3O6 cluster which is further connected by other four similar ones via corner‐sharing into 2D fluctuant square layers. BO3 units fill in the voids of oxolead layers into [Pb6O2(BO3)2]2+ layers which are connected by C2O42− anions into a 3D structure. Compound 2 displays [Pb4(CO3)2(OH)2]2+ layers which can be described as an alternating connection of [PbO6(OH)] and flat [CO3] triangles and are further linked by C2O42− anions into 2D Pb4(CO3)2(C2O4)(OH)2 layered framework. Photoluminescent investigations indicate that their emission spectra consist of several broad bands centered around 430, 620 nm and 450, 610, 720 nm for compounds 1 and 2, respectively. And interestingly, the intensity of the emission bands can be tuned through changing the excitation wavelengths.

Ultrasonic assistance syntheses of new nano-sized lead(II) coordination polymers: motifs for PbO preparation

Nanoparticles of two new coordination polymers, [Pb(5,5′-dm-2,2′-bpy)Cl2]n (1) and [Pb(5,5′-dm-2,2′-bpy)Br2]n (2), {5,5′-dm-2,2′-bpy = 5,5′-dimethyl-2,2′-bipyridine}, have been synthesized by ultrasonic assistance at different concentrations and characterized by scanning electron microscopy, X-ray powder diffraction, IR spectroscopy and elemental analyses. Metal oxide nanoparticles were prepared from thermal decomposition of compounds 1 and 2 at 600 °C under air atmosphere. Scanning electron microscopy images of the residue which are obtained from calcination of compounds 1, 2 show the formation of lead(II) oxide nanoparticles with an average diameter of about 80 and 90 nm for compounds 1 and 2, respectively.

Ultrasonic bottom-up and up-to-down methods to synthesize nano particles of two N-nicotinyl phosphorictriamides

GRAPHICAL ABSTRACT

Synthesis and High Solid-State Fluorescence of Cyclic Silole Derivatives

Cyclotetrasiloxanes 1–3 containing different silole-based fluorogenic units (silafluorene, 1,3-diphenyl-9-silafluorene, tetraphenylsilole) were synthesized by cohydrolysis and condensation reactions. Their optical properties in solution and as crystals were studied. These compounds have low quantum yields in solution (Φfl = 0.01–0.18) with fluorescence maxima at 359–375 nm for silafluorene-containing compounds 1 and 3 and at 491 nm for AEE-active tetraphenylsilole compound 2. However, 1–3 have high solid-state quantum yields (Φfl = 0.65–0.78) with fluorescence maxima at 377–390 nm for compounds 1 and 3 and at 517 nm for tetraphenylsilole- and silafluorene-containing compound 2. Packing analysis of 1–3 in the crystal structure and MO and excited-state calculations were performed to explore possible fluorescence mechanisms in these compounds.

DFT study of the effect of different metals on structures and electronic spectra of some organic-metal compounds as sensitizing dyes

Ruthenium polypyridined-derivative complexes are used in dye-sensitized solar cell [DSSC] as a light to current conversion sensitizer. In order to lower the cost of the DSSC the normal transition metals were used to replace the noble metal ruthenium, and some compounds [ML2L′] (M = Pt, Fe, Ni, Zn; L = isonicotinic acid, L′ = maleonitriledithiolate, I = PtL2L′, II = FeL2L′, III = NiL2L′, IV = ZnL2L′) were selected as the replacement. The geometries, electronic structures and optical absorption spectra of these compounds have been studied by using density functional theory (DFT) calculation at the B3LYP/LANL2DZ, B3P86/LANL2DZ, B3LYP/GEN level of theory. All the geometric parameters are close to the experimental values. The HOMOs are mainly on the maleonitriledithiolate groups mixed with fewer characters of the metal atom, the LUMOs are mainly on the two pyridine ligands. This means that the electron transition is attributed to the LLCT. The maximum absorptions of complexes are found to be at 351 nm, 806 nm for compound I, and 542 nm for compound II. The maximum absorptions of complexes are found to be at 884 nm for compound III, and 560 nm for compound IV. This means that those compounds may be as a suitable sensitizer for solar energy conversion applications.