dicarbonyl-modified protein

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: dicarbonyl-modified protein
• 英文别名: dicarbonyl-caused protein；monocarbonyl formaldehyde；carbonyl formaldehyde
• 化学式: C₂HO₂
• 分子量: 57.0287
• InChiKey: IKFPMWBBLSRQRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  18.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  dicarbonyl-modified protein 生成 formyl radical 、 一氧化碳
  参考文献：
  名称：

  The atmospheric chemistry of the HC(O)CO radical

  摘要：

  The chemistry of the HC(O)CO radical, produced in the oxidation of glyoxal, has been studied under conditions relevant to the lower atmosphere using an environmental chamber/Fourier Transform infrared spectrometric system. The chemistry of HC(O)CO was studied over the range 224-317 K at 700 Torr total pressure and was found to be governed by competition between unimolecular decomposition [to HCO and CO, reaction (5)] and reaction with O-2 [to form HO2 and 2CO, reaction (6a), or HC(O)C(O)O-2, reaction (6b)]. The rate coefficient for decomposition relative to that of reaction with O-2 increases with increasing temperature. Assuming a value for k(6) of 10(-11) cm(3) molecule(-1) s(-1), the following expression for the unimolecular decomposition is obtained at 700 Torr, k(5) = 1.4(+9)/(-11) x 10(12) exp(-3160 +/- 500/ T). The rate coefficients for reactions (6a) and (6b) are about equal, with no strong dependence on temperature. The reaction of HC(O)C(O)O-2 with NO2 was also studied. Final product analysis was consistent with the formation of HCO, CO2, and NO3 as the major products in this reaction; no evidence for the PAN-type species. HC(O)C(O)O2NO2, was found even at the lowest temperature studied (224 K). The UV-visible absorption spectrum of glyoxal is also reported; results are in substantive agreement with previous studies. (C) 2001 John Wiley & Sons, Inc.

  DOI：

  10.1002/1097-4601(200103)33:3<149::aid-kin1008>3.0.co;2-1
• 作为产物：
  描述：

  草酸醛 在 溴 作用下， 生成 dicarbonyl-modified protein
  参考文献：
  名称：

  Temperature-dependent rate coefficient measurements for the reaction of bromine atoms with trichloroethene, ethene, acetylene, and tetrachloroethene in air

  摘要：

  In this article, rate coefficients for the reaction of Br atoms with a series of unsaturated species (trichloroethene, k(1); ethene, k(2); acetylene, k(3); and tetrachloroethene, k(4)) are reported in 700 Torr air over the temperature range 228-298 K. The data were obtained in a temperature-regulated environmental chamber/FTIR spectrometer system, using standard relative rate techniques, with the reaction of Br with CH2O and CH3CHO as the reference reactions. Room-temperature values for k(1) through k(4) were found to be 1.56 x 10(-13), 1.23 x 10(-13) 2.86 x 10(-14), and <1.2 x 10(-16) cm(3) molecule(-1) s(-1), respectively, in reasonable accord with previously available data. At 240 K, values of k(1) = 1.77 x 10(-12), k(2) = 5.76 x 10(-13), k(3) = 3.97 x 10(-14), and k(4) = 3.22 x 10(-15) cm(3) molecule(-1) s(-1) are reported. These k(2) and k(3) values are 2-3 times lower than those currently in use, which are obtained by extrapolation of previous measurements made over the range 298-350 K [Barnes et at.. 1989]. An investigation of the mechanism of the Br-atom-initiated oxidation of acetylene, trichloroethene, and tetrachloroethene was also conducted as a function of temperature. Although no temperature dependence to the product yields was observed for any of the systems studied, the product distributions were found to be altered by the presence of NOx in the case of trichloroethene and tetrachloroethene. An anomalously low rate coefficient for the reaction of Br with glyoxal (HC(O)CHO, a product of acetylene oxidation), k(17) = 1.1 x 10(-14) cm(3) molecule(-1) s(-1), is also reported. (C) 2001 John Wiley & Sons, Inc.

  DOI：

  10.1002/1097-4601(200103)33:3<198::aid-kin1014>3.0.co;2-z

文献信息

• Temperature-dependent rate coefficient measurements for the reaction of bromine atoms with trichloroethene, ethene, acetylene, and tetrachloroethene in air
  作者：Bj�rn Ramacher、John J. Orlando、Geoffrey S. Tyndall

  DOI：10.1002/1097-4601(200103)33:3<198::aid-kin1014>3.0.co;2-z

  日期：2001.3

  In this article, rate coefficients for the reaction of Br atoms with a series of unsaturated species (trichloroethene, k(1); ethene, k(2); acetylene, k(3); and tetrachloroethene, k(4)) are reported in 700 Torr air over the temperature range 228-298 K. The data were obtained in a temperature-regulated environmental chamber/FTIR spectrometer system, using standard relative rate techniques, with the reaction of Br with CH2O and CH3CHO as the reference reactions. Room-temperature values for k(1) through k(4) were found to be 1.56 x 10(-13), 1.23 x 10(-13) 2.86 x 10(-14), and <1.2 x 10(-16) cm(3) molecule(-1) s(-1), respectively, in reasonable accord with previously available data. At 240 K, values of k(1) = 1.77 x 10(-12), k(2) = 5.76 x 10(-13), k(3) = 3.97 x 10(-14), and k(4) = 3.22 x 10(-15) cm(3) molecule(-1) s(-1) are reported. These k(2) and k(3) values are 2-3 times lower than those currently in use, which are obtained by extrapolation of previous measurements made over the range 298-350 K [Barnes et at.. 1989]. An investigation of the mechanism of the Br-atom-initiated oxidation of acetylene, trichloroethene, and tetrachloroethene was also conducted as a function of temperature. Although no temperature dependence to the product yields was observed for any of the systems studied, the product distributions were found to be altered by the presence of NOx in the case of trichloroethene and tetrachloroethene. An anomalously low rate coefficient for the reaction of Br with glyoxal (HC(O)CHO, a product of acetylene oxidation), k(17) = 1.1 x 10(-14) cm(3) molecule(-1) s(-1), is also reported. (C) 2001 John Wiley & Sons, Inc.
• The atmospheric chemistry of the HC(O)CO radical
  作者：John J. Orlando、Geoffrey S. Tyndall

  DOI：10.1002/1097-4601(200103)33:3<149::aid-kin1008>3.0.co;2-1

  日期：2001.3

  The chemistry of the HC(O)CO radical, produced in the oxidation of glyoxal, has been studied under conditions relevant to the lower atmosphere using an environmental chamber/Fourier Transform infrared spectrometric system. The chemistry of HC(O)CO was studied over the range 224-317 K at 700 Torr total pressure and was found to be governed by competition between unimolecular decomposition [to HCO and CO, reaction (5)] and reaction with O-2 [to form HO2 and 2CO, reaction (6a), or HC(O)C(O)O-2, reaction (6b)]. The rate coefficient for decomposition relative to that of reaction with O-2 increases with increasing temperature. Assuming a value for k(6) of 10(-11) cm(3) molecule(-1) s(-1), the following expression for the unimolecular decomposition is obtained at 700 Torr, k(5) = 1.4(+9)/(-11) x 10(12) exp(-3160 +/- 500/ T). The rate coefficients for reactions (6a) and (6b) are about equal, with no strong dependence on temperature. The reaction of HC(O)C(O)O-2 with NO2 was also studied. Final product analysis was consistent with the formation of HCO, CO2, and NO3 as the major products in this reaction; no evidence for the PAN-type species. HC(O)C(O)O2NO2, was found even at the lowest temperature studied (224 K). The UV-visible absorption spectrum of glyoxal is also reported; results are in substantive agreement with previous studies. (C) 2001 John Wiley & Sons, Inc.