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A hydrazone based probe for selective sensing of Al(iii) and Al(iii)-probe complex mediated secondary sensing of PPi: framing of molecular logic circuit and memory device and computational studies†
Photochemical & Photobiological Sciences ( IF 2.7 ) Pub Date : 2017-12-01 00:00:00 , DOI: 10.1039/c7pp00286f Hasan Mohammad 1, 2, 3, 4 , Abu Saleh Musha Islam 1, 2, 3, 4 , Chandraday Prodhan 4, 5, 6, 7 , Keya Chaudhuri 4, 5, 6, 7 , Mahammad Ali 1, 2, 3, 4
Photochemical & Photobiological Sciences ( IF 2.7 ) Pub Date : 2017-12-01 00:00:00 , DOI: 10.1039/c7pp00286f Hasan Mohammad 1, 2, 3, 4 , Abu Saleh Musha Islam 1, 2, 3, 4 , Chandraday Prodhan 4, 5, 6, 7 , Keya Chaudhuri 4, 5, 6, 7 , Mahammad Ali 1, 2, 3, 4
Affiliation
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A hydrazone-based conjugate Nap-hyz-pyz (H3L3) with potential N2O2 donor atoms was found to act as a dual channel (colori- and fluori-metric) sensor towards Al3+ and PPi in H2O–MeOH (6 : 4, v/v) at pH 7.2 (40 mM HEPES buffer) at 25 °C. The formation constants, Kf = (3.49 ± 1.77) × 104 and (3.78 ± 0.1) × 104 M−1, of the sensor towards Al3+ were determined by absorption and fluorescence titrations, respectively. The 1 : 1 stoichiometry of the reaction was determined by Job's method and confirmed by ESI-MS+ (m/z) studies. The LOD for Al3+, as determined by the 3σ method, was found to be 114.54 nM. Most strikingly, the addition of ∼115 μM PPi to the Nap-hyz-pyz–Al3+ ensemble (20 μM ligand and 74 μM Al3+) leads to complete quenching of fluorescence. The fluorescence response of Nap-hyz-pyz towards Al3+ was not perturbed by the presence of 5 equivalents or more of other ions and inorganic anions. The structure of the [Al(L3)(H2O)] complex was delineated by DFT calculations. TD-DFT studies were performed to investigate various spectral transitions. Based on changes in the fluorescence intensities of Nap-hyz-pyz in the presence of Al3+ and PPi at 487 nm, INHIBIT and molecular logic gates were constructed and interpreted. The probe was found to be bio-compatible and cell permeable with no or negligible cytotoxicity; thus, it provides a good opportunity for in vitro cell imaging studies of these ions. The presence of ATP or Pi did not interfere with the fluorescent detection of PPi. Thus, these evident and excellent sensing capabilities of Nap-hyz-pyz towards Al3+ and PPi were further scrutinized in HepG2 cell lines.
中文翻译：
一种基于的探针，用于选择性感测PPi的Al（iii）和Al（iii）-探针复合物介导的二次感测：分子逻辑电路和存储设备的框架设计和计算研究†
发现具有潜在N 2 O 2供体原子的基共轭Nap-hyz-pyz（H 3 L 3）充当针对H 2中Al 3+和PPi的双通道（比色和荧光）传感器O-MeOH（6：4，v / v），pH 7.2（40 mM HEPES缓冲液），温度25°C。通过吸收和荧光滴定分别确定传感器对Al 3+的形成常数K f =（3.49±1.77）×10 4和（3.78±0.1）×10 4 M -1。通过Job方法确定反应的化学计量比为1：1，并通过ESI-MS +（m / z）研究。用于铝的LOD 3+，如通过3确定σ的方法，被认为是114.54纳米。最引人注目的是，在加入〜115μM的PPi到NAP-HYZ-PYZ -Al 3+合奏（20μM的配体和74μM的Al 3+）导致荧光的完全猝灭。Nap-hyz-pyz对Al 3+的荧光响应不会受到5个当量或更多当量其他离子和无机阴离子的干扰。[Al（L 3）（H 2O）]复合物通过DFT计算来描绘。进行了TD-DFT研究以研究各种光谱跃迁。根据Al 3+和PPi在487 nm下Nap-hyz-pyz荧光强度的变化，构建并解释了INHIBIT和分子逻辑门。发现该探针具有生物相容性，并且具有细胞渗透性，且无细胞毒性或细胞毒性可忽略不计；因此，为这些离子的体外细胞成像研究提供了一个很好的机会。ATP或Pi的存在不会干扰PPi的荧光检测。因此，在HepG2细胞系中进一步研究了Nap-hyz-pyz对Al 3+和PPi的这些明显而卓越的感测能力。
更新日期：2017-12-01
中文翻译：
一种基于的探针，用于选择性感测PPi的Al（iii）和Al（iii）-探针复合物介导的二次感测：分子逻辑电路和存储设备的框架设计和计算研究†
发现具有潜在N 2 O 2供体原子的基共轭Nap-hyz-pyz（H 3 L 3）充当针对H 2中Al 3+和PPi的双通道（比色和荧光）传感器O-MeOH（6：4，v / v），pH 7.2（40 mM HEPES缓冲液），温度25°C。通过吸收和荧光滴定分别确定传感器对Al 3+的形成常数K f =（3.49±1.77）×10 4和（3.78±0.1）×10 4 M -1。通过Job方法确定反应的化学计量比为1：1，并通过ESI-MS +（m / z）研究。用于铝的LOD 3+，如通过3确定σ的方法，被认为是114.54纳米。最引人注目的是，在加入〜115μM的PPi到NAP-HYZ-PYZ -Al 3+合奏（20μM的配体和74μM的Al 3+）导致荧光的完全猝灭。Nap-hyz-pyz对Al 3+的荧光响应不会受到5个当量或更多当量其他离子和无机阴离子的干扰。[Al（L 3）（H 2O）]复合物通过DFT计算来描绘。进行了TD-DFT研究以研究各种光谱跃迁。根据Al 3+和PPi在487 nm下Nap-hyz-pyz荧光强度的变化，构建并解释了INHIBIT和分子逻辑门。发现该探针具有生物相容性，并且具有细胞渗透性，且无细胞毒性或细胞毒性可忽略不计；因此，为这些离子的体外细胞成像研究提供了一个很好的机会。ATP或Pi的存在不会干扰PPi的荧光检测。因此，在HepG2细胞系中进一步研究了Nap-hyz-pyz对Al 3+和PPi的这些明显而卓越的感测能力。
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