calcium dipicolinate | 6893-30-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: calcium dipicolinate
• 英文别名: calcium;pyridine-2,6-dicarboxylate
• CAS: 6893-30-7
• 化学式: C₇H₃NO₄*Ca
• 分子量: 205.183
• InChiKey: WCPGOAHESUQATA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.57
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  uranyl nirate hexahydrate 、 calcium dipicolinate 以 水 为溶剂， 生成 [(UO2)(2,6-pyridinedicarboxylic acid(-2H))]
  参考文献：
  名称：

  A molecular level mechanism for uranium (VI) toxicity through Ca2+ displacement in pyrroloquinoline quinone-dependent bacterial dehydrogenase

  摘要：

  Dipicolinic acid (DPA), a small molecule analogue for the pyrroloquinoline quinone (PQQ) bacterial dehydrogenase cofactor, was used to model displacement of the complexing ion, Ca2+, by a uranium (VI) dioxo-cation, UO22+. Complexation of UO22+ with DPA through the displacement of Ca2+ was examined with UV/visible spectroscopy, ESI (electrospray ionization)-Mass spectrometry, and density functional theory based-modeling. The UO22+ displacement of other biologically important metal cations (Zn2+, Cu2+, Ni2+, and Fe3+) from DPA was also examined. Results show that UO22+ has a distinctly higher binding affinity (log beta = 102 +/- 0.1) for DPA compared to that of Ca2+ (log beta = 4.6 +/- 0.1), and provide molecular level insight into the mechanism of uranium toxicity associated with the {ONO} site. These results support those of VanEngelen et al. (2011) where a key interaction between PQQ and UO22+ produced significant uranium toxicity in bacteria. The observed toxicity mechanism was determined to be the displacement of a Ca2+ cation bound to the {ONO} site on PQQ and was observed even at submicromolar UO22+ concentrations. Here we couple experimental findings with density functional theory (DFT) calculations to investigate the electronic and structural properties that make the {ONO} site so distinctively favorable for UO22+ binding. This novel approach using integrated experimental and fundamental atomic based models opens the path to identify a library of potential uranium interactions with critical biological molecules. (C) 2015 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2014.11.007
• 作为产物：
  描述：

  吡啶-2,6-二甲酸 在 calcium(II) nitrate 作用下， 生成 calcium dipicolinate
  参考文献：
  名称：

  Aruga, Roberto, Bulletin de la Societe Chimique de France, 1983, vol. 1, # 3-4, p. 79 - 82

  摘要：

  DOI：

文献信息

• Method and apparatus for detecting the presence of microbes and determining their physiological status
  申请人：MicroBioSystems Limited Partnership

  公开号：EP1329514A2

  公开（公告）日：2003-07-23

  Method and apparatus for the detection of microbes in liquids, in air and on non-living surfaces in which samples are exposed to electromagnetic radiation of specific energies capable of exciting various metabolites, cofactors and cellular and spore components, with the microbial cells to be sampled (and more specifically the excited metabolites, cofactors and/or other cellular components) contained therein emit fluorescence that can be measured. The signal from the background and scattered excitation signals is removed from the fluorescence signals of the microbial components, the relative fluorescent signals of the intrinsic microbial components are required to lie within physiological ranges, and the amplitude of the background-corrected fluorescence signals used to enumerate the microbe content in the sample.

  用于检测液体、空气和非生物表面中微生物的方法和装置，将样品暴露于特定能量的电磁辐射中，电磁辐射能够激发各种代谢物、辅助因子以及细胞和孢子成分，其中所含的待采样微生物细胞（更具体地说是被激发的代谢物、辅助因子和/或其他细胞成分）发出可测量的荧光。从微生物成分的荧光信号中去除背景信号和散射激发信号，要求固有微生物成分的相对荧光信号在生理范围内，并利用背景校正荧光信号的振幅来枚举样品中的微生物含量。
• Method for detecting the presence of dormant cryptobiotic microorganisms
  申请人：MicroBioSystems Limited Partnership

  公开号：EP1582859A1

  公开（公告）日：2005-10-05

  Method for the detection of dormant cryptobiotic microbes by detection of electromagnetic radiation emitted from intrinsic alkali earth metal pyridine dicarboxylic acid salts in the 710 nm to 860 nm region when excited with electromagnetic energy in the 610 nm to 680 nm region. Utilizing the novel lower energy emission of intrinsic calcium dipicolinic acid salts makes it possible to quickly detect bacterial spores, fungal spores and oocysts without the need for any added reagents, sample processing, or contact with the sample.

  通过检测本征碱土金属吡啶二羧酸盐在 610 纳米至 680 纳米波段的电磁能量激发下发出的 710 纳米至 860 纳米波段的电磁辐射来检测休眠隐生物微生物的方法。利用本征二羧酸钙盐的新型低能量发射，可以快速检测细菌孢子、真菌孢子和卵囊，而无需添加任何试剂、进行样品处理或与样品接触。
• Control of preservation by biomarkers
  申请人：NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO

  公开号：EP1772522A1

  公开（公告）日：2007-04-11

  The invention lies in the field of microbiology, more particularly in the field of (food) preservation and testing of viability of microbiological spores. It is shown that measurement of the integrity of both rRNA and mRNA in spores is an accurate indicator of viability. Nucleotide assays then form a significant improvement over the state of the art assays for viability.

  本发明属于微生物学领域，尤其是（食品）保存和微生物孢子活力检测领域。研究表明，对孢子中 rRNA 和 mRNA 的完整性进行测量，可以准确地反映出孢子的存活能力。因此，核苷酸测定法比现有的活力测定法有了很大改进。
• [EN] PREPARATION METHOD FOR AND APPLICATION OF BACILLUS PUMILUS ANTIBACTERIAL ACTIVE SUBSTANCE<br/>[FR] PROCÉDÉ DE PRÉPARATION ET APPLICATION D'UNE SUBSTANCE ACTIVE ANTIBACTÉRIENNE DE BACILLUS PUMILUS<br/>[ZH] 一种短小芽孢杆菌抗菌活性物质的制备方法及应用
  申请人：BIOLOGY INST SHANDONG ACAD SCI

  公开号：WO2020207048A1

  公开（公告）日：2020-10-15

  提供了一株短小芽孢杆菌(Bacillus pumilus)BP，保藏编号CGMCC NO.17424。还提供了从该短小芽孢杆菌中提取出三种具有抗菌活性的脂肪醇类化合物及其用途。
• CONTROL OF PRESERVATION BY BIOMARKERS
  申请人：Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO

  公开号：EP1937836A1

  公开（公告）日：2008-07-02