isotopic water
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The Analyst ◽  
2021 ◽  
Author(s):  
Jaspreet Singh ◽  
Andreas Muller

Cavity-enhanced spontaneous Raman scattering was investigated as a means of simple and in expensive isotopic water analysis. A multimode blue laser diode equipped with a feedback-generating multipass cavity provided a...


2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Zhaofei Zhang ◽  
Chuntian Qiu ◽  
Yangsen Xu ◽  
Qing Han ◽  
Junwang Tang ◽  
...  

Abstract Precisely controlled deuterium labeling at specific sites of N-alkyl drugs is crucial in drug-development as over 50% of the top-selling drugs contain N-alkyl groups, in which it is very challenging to selectively replace protons with deuterium atoms. With the goal of achieving controllable isotope-labeling in N-alkylated amines, we herein rationally design photocatalytic water-splitting to furnish [H] or [D] and isotope alkanol-oxidation by photoexcited electron-hole pairs on a polymeric semiconductor. The controlled installation of N-CH3, -CDH2, -CD2H, -CD3, and -13CH3 groups into pharmaceutical amines thus has been demonstrated by tuning isotopic water and methanol. More than 50 examples with a wide range of functionalities are presented, demonstrating the universal applicability and mildness of this strategy. Gram-scale production has been realized, paving the way for the practical photosynthesis of pharmaceuticals.


2020 ◽  
Vol 610 ◽  
pp. 118237
Author(s):  
Ming Wen ◽  
Min Chen ◽  
Guang-Kun Ren ◽  
Pei-Long Li ◽  
Chao Lv ◽  
...  

2020 ◽  
Vol 263 ◽  
pp. 118365
Author(s):  
Sarah Alamolhoda ◽  
Azfar Hassan ◽  
Gerardo Vitale ◽  
Nashaat N. Nassar ◽  
Pedro Pereira Almao ◽  
...  

2019 ◽  
Vol 11 (8) ◽  
pp. 2547-2566 ◽  
Author(s):  
E. Brady ◽  
S. Stevenson ◽  
D. Bailey ◽  
Z. Liu ◽  
D. Noone ◽  
...  

2018 ◽  
Author(s):  
Kelly M. Hunter ◽  
Farnaz A. Shakib ◽  
Francesco Paesani

<div> <div> <div> <p>A quantitative characterization of intermolecular and intramolecular couplings that modulate the OH-stretch vibrational band in liquid water has so far remained elusive. Here, we take up this challenge by combining the centroid molecular dynamics (CMD) formalism, which accounts for nuclear quantum effects, with the MB-pol potential energy function, which accurately reproduces the properties of water across all phases, to model the infrared (IR) spectra of various isotopic water solutions with different levels of vibrational couplings, including those that cannot be probed experimentally. Analysis of the different IR OH-stretch lineshapes provides direct evidence for the partially quantum-mechanical nature of hydrogen bonds in liquid water, which is emphasized by synergistic effects associated with intermolecular coupling and many-body electrostatic interactions. Furthermore, we quantitatively demonstrate that intramolecular coupling, which results in Fermi resonances due to the mixing between HOH-bend overtones and OH-stretch fundamentals, are responsible for the shoulder located at ∼3250 cm<sup>-1</sup> of the IR OH-stretch band of liquid water. </p> </div> </div> </div>


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