• 제목/요약/키워드: hydrogen donor

검색결과 144건 처리시간 0.024초

Ab initio Study on Structures, Energies and Vibrations of Methylammonium-(water)$_n$ (n=1-3) Complexes

  • 김광연;조융인;부두완
    • Bulletin of the Korean Chemical Society
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    • 제22권6호
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    • pp.597-604
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    • 2001
  • The reaction of [(2-N,N-dimethylaminomethyl) pheny] methylvinychlorosiane with t-BuLi in hexane solvent gave dimers, five isomeric 1,3-disilacyslobutanes which were weparated and charaterized. In trapping experiments with various trapping agents, no corresponding silene-trapping aduct was observed. We suggest that more important species for the formation of five isomeric dimers might be the zwitterionic species generated by virtue of intramolecular donor atom rather than the silene.

Nucleophilic Substitution Reaction of Dansyl Chloride with Substituted Anilines$^1$

  • Han, Sung-Bin;Sung, Dae-Dong;Lee, Ik-Choon
    • Bulletin of the Korean Chemical Society
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    • 제6권3호
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    • pp.162-164
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    • 1985
  • Nucleophilic substitution reaction of dansyl chloride with anilines in various solvents have been investigated. The Bronsted ${\beta}$ and Hammett ${\rho}_N$ values indicated that the bond formation is advanced more than the bond breaking at the transition state. Solvatochromic correlations also predicted the importance of bond formation at the TS, showing a greater contribution of polarity (${\pi}^{\ast}$) compared to hydrogen bond donor acidity (${\alpha}$). The effect of solvent on rate was found to violate the reactivity-selectivity principle.

Synthesis of Cysteine Capped Silver Nanoparticles by Electrochemically Active Biofilm and their Antibacterial Activities

  • Khan, Mohammad Mansoob;Kalathil, Shafeer;Lee, Jin-Tae;Cho, Moo-Hwan
    • Bulletin of the Korean Chemical Society
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    • 제33권8호
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    • pp.2592-2596
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    • 2012
  • Cysteine capped silver nanoparticles (Cys-AgNPs) have been synthesized by employing electrochemically active biofilm (EAB), $AgNO_3$ as precursor and sodium acetate as electron donor in aqueous solution at $30^{\circ}C$. Cys-AgNPs of 5-10 nm were synthesized and characterized by UV-Vis, FT-IR, XRD and TEM. Capping of the silver nanoparticles with cysteine provides stability to nanoparticles by a thiolate bond between the amino acid and the nanoparticle surface and hydrogen bonding among the Cys-AgNPs. In addition, the antibacterial effects of as-synthesized Cys-AgNPs have been tested against two pathogenic bacteria Escherichia coli (O157:H7) and Pseudomonas aeruginosa (PAO1). The results demonstrate that the as-synthesized Cys-AgNPs can proficiently inhibit the growth and multiplication of E. coli and P. aeruginosa.

Study of the Kinetics and Mechanisms of Alkoxy Radical Reactions in the Gas Phase (I). Arrhenius Parameters for t-Butoxy Radical Reactions with Isobutane and Cyclohexane

  • Song, Se-Ahn;Choo, Kwang-Yul
    • Bulletin of the Korean Chemical Society
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    • 제5권1호
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    • pp.16-21
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    • 1984
  • The relative Arrhenius parameters for t-butoxy radical decomposition (log $A_d$, $E_d$) and hydrogen abstraction of t-butoxy radical from hydrogen donor (log $A_d$, $E_d$) by competitive method were obtained as follows: for cyclohexane; log $A_a/A_d$ = -4.17 mole/l and $E_d-E_a$ = 9.01 kcal/mole, for isobutane; log $A_a/A_d$ = -5.70 mole/l and $E_e-E_a$= 11.0 kcal/mole. From the reported Arrhenius parameters for t-Butoxy radical decomposition reactions the parameters for t-Butoxy radical reactions with isobutane and cyclohexane are estimated to be log $A(l/mol{\cdot}sec)$ = 8.4, $E_a$ = 4.3 kcal/mol and $log A (l/mol{\cdot}sec)= 9.9,\;E_a$ = 6.3 kcal/mol, respectively.

Modelling the Hydrogen-Bonding Interactions in a Copolymer/Biodegradable Homopolymer Blend through Excess Functions

  • Garcia-Lopera, Rosa;Monzo, Isidro S.;Campos, Agustin;Abad, Concepcion
    • Macromolecular Research
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    • 제16권5호
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    • pp.446-456
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    • 2008
  • A recent theoretical approach based on the coupling of both the Flory-Huggins (FH) and the Association Equilibria thermodynamic (AET) theories was modified and adapted to study the miscibility properties of a multi-component system formed by two polymers (a proton-donor and a proton-acceptor) and a proton-acceptor solvent, named copolymer(A)/solvent(B)/polymer(C). Compatibility between polymers was mainly attained by hydrogen-bonding between the hydroxyl group on the phenol unit of the poly(styrene-co-vinyl phenol) (PSVPh) and the carbonyl group of the biodegradable and environmentally friendly poly(3-hydroxybutyrate) (PHB). However, the self-association of PSVPh and specific interactions between the PSVPh and the H-acceptor group (an ether oxygen atom) of the epichlorohydrin (ECH) solvent were also established in a lower extension, which competed with the polymer-polymer association. All the binary specific interactions and their dependence with the system composition as well as with the copolymer content were evaluated and quantified by means of two excess functions of the Gibbs tree energy, ${\Delta}g_{AB}$ and ${\Delta}g_{AC}$. Experimental results from fluorescence spectroscopy were consistent with the theoretical simulations derived with the model, which could also be applied and extended to predict the miscibility in solution of any polymer blend with specific interactions.

Effects of Hydrogen Peroxide on Neuronal Excitability and Synaptic Transmission in Rat Substantia Gelatinosa Neurons

  • Son, Yong;Chun, Sang-Woo
    • International Journal of Oral Biology
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    • 제32권4호
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    • pp.153-160
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    • 2007
  • The superficial dorsal horn, particularly substantia gelatinosa (SG) in the spinal cord, receives inputs from small-diameter primary afferents that predominantly convey noxious sensation. Reactive oxygen species (ROS) are toxic agents that may be involved in various neurodegenerative diseases. Recent studies indicate that ROS are also involved in persistent pain through a spinal mechanism. In the present study, whole cell patch clamp recordings were carried out on SG neurons in spinal cord slice of young rats to investigate the effects of hydrogen peroxide on neuronal excitability and excitatory synaptic transmission. In current clamp condition, tert-buthyl hydroperoxide (t-BuOOH), an ROS donor, depolarized membrane potential of SG neurons and increased the neuronal firing frequencies evoked by depolarizing current pulses. When slices were pretreated with phenyl-N-tert-buthylnitrone (PBN) or ascorbate, ROS scavengers, t-BuOOH did not induce hyperexcitability. In voltage clamp condition, t-BuOOH increased the frequency and amplitude of spontaneous excitatory postsynaptic currents (sEPSCs), and monosynaptically evoked excitatory postsynaptic currents (eEPSCs) by electrical stimulation of the ipsilateral dorsal root. These data suggest that ROS generated by peripheral nerve injury can modulate the excitability of the SG neurons via pre- and postsynaptic actions.

Coordination of an Amino Alcohol Schiff Base Ligand Toward Cd(II)

  • Mardani, Zahra;Hakimi, Mohammad;Moeini, Keyvan;Mohr, Fabian
    • 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.

Selective acetate detection using functional carbon nanotube fiber

  • Choi Seung-Ho;Lee, Joon-Seok;Choi, Won-Jun;Lee, Sungju;Jeong, Hyeon Su;Choi, Seon-Jin
    • 센서학회지
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    • 제30권6호
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    • pp.357-363
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    • 2021
  • We developed a chemiresistive anion sensor using highly conductive carbon nanotube fibers (CNTFs) functionalized with anion receptors. Mechanically robust CNTFs were prepared via wet-spinning utilizing the nematic liquid crystal properties of CNTs in chlorosulfonic acid (CSA). For anion detection, polymeric receptors composed of dual-hydrogen bond donors, including thiourea 1, squaramide 2, and croconamide 3, were prepared and bonded non-covalently on the surface of the CNTFs. The binding affinities of the anion receptors were studied using UV-vis titrations. The results revealed that squaramide 2 exhibited the highest binding affinity toward AcO-, followed by thiourea 1 and croconamide 3. This trend was consistent with the chemiresistive sensing responses toward AcO- using functional CNTFs. Selective anion sensing properties were observed that CNTFs functionalized with squaramide 2 exhibited a response of 1.08% toward 33.33 mM AcO-, while negligible responses (<0.1%) were observed for other anions such as Cl-, Br-, and NO3-. The improved response was attributed to the internal charge transfer of dual-hydrogen bond donors owing to the deprotonation of the receptor upon the addition of AcO-.

Chromogenic and Fluorogenic Polymer Systems for Optical Sensing and Patterning

  • Lee, Taek-Seung;Kim, Tae-Hyeon;Kim, Tae-Hoon;Choi, Moon-Soo;Kim, Hyung-Jun;Kwak, Chan-Gyu;Lee, Jung-Hyo;Lee, Chi-Han
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.175-175
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    • 2006
  • Considering the number of chemosensors that have been developed for the sensing of metal ions, only a few chemosensors for fluoride anion have been described in the literature that are based on fluorescent or chromogenic responses. We performed colorimetric anion sensing based on the binding of anion analytes with hydrogen donor group in polymer backbone resulting in naked-eye color change and fluorescent quenching. Our challenges using hydrogen donor moiety was designed effectively are continuing in order for high selectivity and sensitivity for ultimate applications such as fluid solution sensing in biomolecules and gas vapor sensing.

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Factors Affecting Nucleation and Growth of Chromium Electrodeposited from Cr3+ Electrolytes Based on Deep Eutectic Solvents

  • El-Hallag, Ibrahim S.;Moharram, Youssef I.;Darweesh, Mona A.;Tartour, Ahmed R.
    • Journal of Electrochemical Science and Technology
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    • 제11권3호
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    • pp.291-309
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    • 2020
  • Chromium was electrodeposited from deep eutectic solvents-based Cr3+ electrolytes on HB-pencil graphite electrode. Factors influencing the electrochemical behavior and the processes of Cr nucleation and growth were explored using cyclic voltammetry and chronoamperometry techniques, respectively. Cr3+ reduction was found to occur through an irreversible diffusion-controlled step followed by another irreversible one of impure diffusional behaviour. The reduction behavior was found to be greatly affected by Cr3+ concentration, temperature, and type of hydrogen bond donor used in deep eutectic solvents (DESs) preparation. A more comprehensive model was suggested and successfully applied to extract a consistent data relevant to Cr nucleation kinetics from the experimental current density transients. The potential, the temperature, and the hydrogen bond donor type were estimated to be critical factors controlling Cr nucleation. The nucleation and growth processes of Cr from either choline chloride/ethylene glycol (EG-DES) or choline chloride/urea (U-DES) deep eutectic solvents were evaluated at 70℃ to be three-dimensional (3D) instantaneous and diffusion-controlled, respectively. However, the kinetics of Cr nucleation from EG-DES was found to be faster than that from U-DES. Cr nucleation was tending to be instantaneous at higher temperature, potential, and Cr3+ concentration. Cr nuclei electrodeposited from EG-DES were characterized at different conditions using scanning electron microscope (SEM). SEM images show that high number density of fine spherical nuclei of almost same sizes was nearly obtained at higher temperature and more negative potential. Energy dispersive spectroscopy (EDS) analysis confirms that Cr deposits were obtained.