Discriminative ionic capabilities on hydrogen-bond transition from the mode of ordinary water to (Mg, Ca, Sr)(Cl, Br)2 hydration

2019 ◽  
Vol 279 ◽  
pp. 485-491 ◽  
Author(s):  
Hengxin Fang ◽  
Zhixu Tang ◽  
Xinjuan Liu ◽  
Yongli Huang ◽  
Chang Q. Sun
Keyword(s):  
2018 ◽  
Author(s):  
Yongli Huang ◽  
Chang Sun

<div>Charge injection in terms of divalent cations and halide anions on the O:H-O network and properties with discrimination of the solute capabilities on transition O:H-O bonds from the mode of ordinary water of hydrating in terms of fraction number and stiffness.<br></div>


2018 ◽  
Author(s):  
Yongli Huang ◽  
Chang Sun

<div>Charge injection in terms of divalent cations and halide anions on the O:H-O network and properties with discrimination of the solute capabilities on transition O:H-O bonds from the mode of ordinary water of hydrating in terms of fraction number and stiffness.<br></div>


2020 ◽  
Author(s):  
Egle Maximowitsch ◽  
Tatiana Domratcheva

Photoswitching of phytochrome photoreceptors between red-absorbing (Pr) and far-red absorbing (Pfr) states triggers light adaptation of plants, bacteria and other organisms. Using quantum chemistry, we elucidate the color-tuning mechanism of phytochromes and identify the origin of the Pfr-state red-shifted spectrum. Spectral variations are explained by resonance interactions of the protonated linear tetrapyrrole chromophore. In particular, hydrogen bonding of pyrrole ring D with the strictly conserved aspartate shifts the positive charge towards ring D thereby inducing the red spectral shift. Our MD simulations demonstrate that formation of the ring D–aspartate hydrogen bond depends on interactions between the chromophore binding domain (CBD) and phytochrome specific domain (PHY). Our study guides rational engineering of fluorescent phytochromes with a far-red shifted spectrum.


2020 ◽  
Author(s):  
Matteo Tiecco ◽  
Irene Di Guida ◽  
Pier Luigi Gentili ◽  
Raimondo Germani ◽  
Carmela Bonaccorso ◽  
...  

<div><div><div><p>The structural features of a series of diverse Deep Eutectic Solvents (DESs) have been investigated and characterized by means of two fluorescent probes. The spectral and photophysical properties of the latter are strictly dependent on the experienced environment, so that they can provide insights into the polarity, viscosity, hydrogen-bond network, and micro-heterogeneity of the various DESs.</p><p>In fact, the investigated DESs exhibit a variety of properties with regards to their hydrophilicity, acidity, and hydrogen-bond ability, and these details were deeply probed by the two fluorescent molecules. The effect of the addition of water, which is a key strategy for tuning the properties of these structured systems, was also tested. In particular, the excited state dynamics of the probes, measured by femtosecond-resolved transient absorption, proved instrumental in understanding the changes in the structural properties of the DESs, namely reduced viscosity and enhanced heterogeneity, as the water percentage increases. Differences between the various DESs in terms of both local microheterogeneity and bulk viscosity also emerged from the peculiar multi-exponential solvation dynamics undergone by the excited states of the probes.</p></div></div></div>


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