Article
Chemistry, Physical
Giulia Giubertoni, Mischa Bonn, Sander Woutersen
Summary: D2O is commonly used as a solvent in spectroscopic studies of proteins, but its differences from H2O, particularly in hydrogen-bond strength and structure stability, are often overlooked. Recent experiments have shown that D2O can have significant effects on the structure and properties of biomolecular assemblies. A better understanding of the H2O/D2O-isotope effect may turn the differences between H2O and D2O as biomolecular solvents from an obstacle to an opportunity in protein research.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Soil Science
Charles R. Warren
Summary: This study aimed to estimate the synthesis rates of water-soluble metabolites using D2O labelling and mass spectrometry quantification. The results showed that different metabolites had varying rates of H-2-enrichment, indicating that the turnover of metabolite pools occurred at different time scales and was influenced by community-level recycling.
SOIL BIOLOGY & BIOCHEMISTRY
(2022)
Article
Chemistry, Physical
Elena Korina, Sergey Naifert, Nadezhda Palko, Maria Grishina, Vladimir Potemkin, Roman Morozov, Alaa Adawy, Rafael Merono, Vyacheslav Avdin, Artyom Schelokov, Vadim Popov, Oleg Bol'shakov
Summary: This study investigates the adsorption of dipeptides on anatase nanoparticles in light and heavy water, revealing the influence of solvent on Gibbs free energy and process entropy, as well as the surface oxygen as contact points. The adsorption process is endothermic and driven by entropy, with amino groups playing a key role in binding. Computer simulations show structural similarities in peptide binding in both media.
Article
Soil Science
Charles R. Warren
Summary: The aim of this study was to develop D2O-labelling of intact polar lipids (D2O-intact lipid-SIP) as a culture- and gene-independent way of probing synthesis of membrane lipids by soil microbes. By coupling D2O labelling with liquid chromatography-mass spectrometry (LC-MS) quantification, and determining appropriate incubation durations, the researchers were able to quantify the 2H enrichment of a broad spectrum of lipids in soils incubated with 50 atom% D2O for 27 hours.
SOIL BIOLOGY & BIOCHEMISTRY
(2023)
Article
Chemistry, Physical
Takayoshi Ishimoto, Hiroki Sakagami, Yusuke Kanematsu, Masanori Tachikawa
Summary: This study investigated the effects of H/D isotope on the adsorption of water molecules on ice surfaces by considering the nuclear quantum effects of protons and deuterons using the CPLB method. It was found that the H/D isotope effect resulted in longer hydrogen bonds and weaker adsorption energies for D2O and HDO molecules compared to H2O, leading to geometrical changes on the adsorbed water and ice surfaces.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Hu Lin, Lala Habibova, Abdul Rauf, Jose D. Cojal Gonzalez, Nikolai Severin, Stefan Kirstein, Igor M. Sokolov, Jurgen P. Rabe
Summary: Investigating the lubricities of water films on the nanometer scale, it was found that D2O films are more lubricant than H2O films, which may be related to the selective permeation of protons and deuterons in graphene.
Article
Chemistry, Physical
Andrey Kulsha, Ekaterina G. Ragoyja, Oleg A. Ivashkevich
Summary: This article investigates the reasons for the instability of very basic compounds and suggests theoretical basicity limits for solutions and gas phase. It also proposes a record-breaking superbases most likely to be synthesized and stable at ambient conditions.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Engineering, Electrical & Electronic
Liao Jinzhi Lois, Tian Meng, Du Yong, Ji Qiang, Zhu Lei, Zhang Xi, Hua Younan, Li Xiaomin
Summary: Polymer encapsulated components are commonly used in consumable applications. However, their non-hermetic nature poses a risk to the reliability of the package as they can absorb moisture. This study used a new isotope tracing method to provide direct evidence that moisture penetration caused electrical leakage.
MICROELECTRONICS RELIABILITY
(2022)
Article
Pharmacology & Pharmacy
Ivona Jasprica, Petar Horvat, Katarina Zrnc, Karl J. Bonney, Vidar Bjornstad, Lucija Hok, Robert Vianello, Nikola Bregovic, Josip Pozar, Katarina Leko, Vladislav Tomisic, Ernest Mestrovic
Summary: The discovery of cephalosporin and its improved stability in aqueous solution, as well as enhanced activity against penicillin-resistant organisms, were important advancements in beta-lactam antibiotics. This study investigated the degradation rates and mechanisms of ceftriaxone at therapeutic concentration in different water environments. Unique degradation products were observed, and the comparison between H2O and D2O provided valuable insight into the initial degradation. The effect of protium to deuterium isotope change on degradation kinetics was evaluated using HPLC analysis and H-1 NMR spectroscopy, and computational analysis offered molecular insight and explained the stabilizing effect of D2O.
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
(2023)
Article
Optics
M. Stoilov, A. Adamczak, D. Bakalov, P. Danev, E. Mocchiutti, C. Pizzolotto, G. Baldazzi, M. Baruzzo, R. Benocci, M. Bonesini, D. Cirrincione, M. Clemenza, F. Fuschino, A. D. Hillier, K. Ishida, P. J. C. King, A. Menegolli, S. Monzani, R. Ramponi, L. P. Rignanese, R. Sarkar, A. Sbrizzi, L. Tortora, E. Vallazza, A. Vacchi
Summary: We experimentally determined the relationship between the muon transfer rate from the ground state of muonic hydrogen to oxygen and collision energy at near-thermal energies. A significant increase by nearly an order of magnitude in the energy range of 0-70 meV was observed, which is not observed in other gases. These findings serve as a reliable reference for quantum-mechanical calculations of low-energy processes with exotic atoms and provide a solid foundation for the measurement of the hyperfine splitting in muonic hydrogen and the determination of the Zemach radius of the proton by the FAMU collaboration.
Article
Multidisciplinary Sciences
Andrea Cretu, Carlos Mattea, Siegfried Stapf
Summary: This study investigated bovine articular cartilage samples at different hydration stages, revealing liquid-like and solid-like dynamics and elucidating the distribution of proteins and water in cartilage. By comparing H-2 relaxation dispersion to H-1 dispersion, intramolecular interactions were identified as the main source of the pronounced magnetic field dependence of the longitudinal relaxation time T-1.
Article
Chemistry, Inorganic & Nuclear
Lingyun Kong, Enming Ping, Chunyan Ding, Lijuan Zhang, Yunshan Zhou, Nan Chen
Summary: In this study, Ni-4PyC was used as a material for the separation of hydrogen isotopes H-2/D-2, and the mechanism of separation was investigated using molecular simulation. The results showed that Ni-4PyC exhibited chemical affinity quantum sieving and kinetic quantum sieving effects on H-2/D-2. A composite material Ni-4PyC@& gamma;-Al2O3 was synthesized and used for the separation of H-2/D-2, showing excellent separation performance and reproducibility.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Jiaying Yu, Yongjie Qin, Xiaodeng Wang, Hongju Zheng, Keru Gao, Hengpan Yang, Laiyong Xie, Qi Hu, Chuanxin He
Summary: This study investigates the impact of proton transfer rate on the kinetics of NO3-RR using Cu-based catalysts. The results demonstrate that proton transfer is involved in the rate-determining step of NO3-RR, and the weak water dissociation ability of Cu leads to a slow proton transfer rate and sluggish kinetics. By incorporating uncoordinated carboxylate ligands, the water dissociation ability of Cu catalysts is enhanced, enabling rapid proton transfer and reducing the overall energy barrier of NO3-RR.
Article
Chemistry, Physical
Hugues Arcis, Jacy K. Conrad, Jane P. Ferguson, Kristy M. Erickson, Peter R. Tremaine
Summary: This study measured the ionization constants of phosphoric acid and acetic acid in H2O and D2O to obtain accurate values of the deuterium isotope effect. Using high-precision flow-through AC conductance instrument, the conductivity measurements were made on dilute aqueous solutions to cancel out systematic experimental errors. The results provide more accurate values for the ionization constants of acetic acid and demonstrate the stability of certain ions in different solvents.
JOURNAL OF SOLUTION CHEMISTRY
(2023)
Proceedings Paper
Physics, Atomic, Molecular & Chemical
Gregory Furman, Victor Meerovich, Danil Petrov, Vladimir Sokolovsky, Yang Xia
Summary: The spin-spin relaxation in connective tissues was simulated using a model that considers the restricted Brownian motion of molecules inside nanocavities. The transverse relaxation rate was found to have angular dependence independent of D2O concentration. The theoretical results explain the observed dependence of relaxation time on the degree of deuteration in experiments.
HYPERFINE INTERACTIONS
(2021)
Article
Thermodynamics
Jane P. Ferguson, Hugues Arcis, Peter R. Tremaine
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2019)
Article
Chemistry, Physical
Jacy Conrad, Swaroop Sasidharanpillai, Peter R. Tremaine
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Chemistry, Multidisciplinary
Hugues Arcis, Jane P. Ferguson, Jenny S. Cox, Peter R. Tremaine
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
(2020)
Article
Nuclear Science & Technology
O. Fandino, J. S. Cox, C. McGregor, J. Conrad, K. Liao, P. R. Tremaine
Summary: The study examined the effects of CO2 contamination on aqueous morpholine solutions in CANDU reactors, revealing that concentrated morpholine solutions have a strong tendency to absorb CO2 and form carbamates, while even dilute solutions can cause noticeable changes in pH at room temperature and pressure. Additionally, the research found that CO2 uptake had a minimal effect under normal reactor operating conditions, but could potentially impact corrosion rates in unprotected feed tanks or during lay-up conditions in steam generators. NMR measurements were effective in monitoring CO2 uptake by morpholine solutions in cases of abnormal exposure to air.
NUCLEAR TECHNOLOGY
(2022)
Article
Thermodynamics
Samantha Binkley, Olivia Fandino, Jenny S. Cox, Peter R. Tremaine
Summary: The densities and volumetric heat capacities of dilute aqueous solutions of N,N-dimethylethanolamine and N,N-dimethylethanolammonium chloride were measured at different temperatures and pressures. The experimental values were used to derive parameters for a density model expressing the standard partial molar thermodynamic properties of the species as a function of temperature and solvent density, which were then combined with literature values to obtain ionization constant values over a temperature range.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2021)
Review
Thermodynamics
Gregory H. Zimmerman, Daniel J. Staros, Hugues Arcis
Summary: This study critically assesses the ion diffusion coefficients and molar conductivity data for aqueous potassium chloride in high temperature water systems. It analyzes over 550 experimental data sets and derives empirical functions to reproduce the data accurately. It also reports a revised equation to express the temperature and density dependence of the ion-pair formation constant. The findings recommend the use of potassium chloride as a chemical standard for conducting accurate hydrothermal conductivity measurements.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2022)
Article
Chemistry, Physical
Michael B. Yacyshyn, Lucas M. S. G. A. Applegarth, Jenny S. Cox, Peter R. Tremaine
Summary: In this study, the dissociation constants of sulfuric acid were compared in different aqueous solutions using Raman spectroscopy. The results showed that temperature has a significant effect on the dissociation constants. Additionally, it was found that dissolved silica has an impact on the results of the dissociation constants.
JOURNAL OF SOLUTION CHEMISTRY
(2022)
Article
Engineering, Chemical
Jacy K. Conrad, Peter R. Tremaine
Summary: In this study, density functional theory calculations were conducted to determine the configurations and equilibrium constants of hydrolysis species of aqueous zinc hydroxides in light and heavy water. The effects of deuterium isotope on hydrolysis constants were also investigated. The results showed good agreement with experimental values and provided a predictive expression for hydrolysis reaction constants in heavy water. This study is important for modeling corrosion product transport and the use of zinc additions in pressurized heavy water nuclear reactors.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Physical
Jacy K. Conrad, Hugues Arcis, Jane P. Ferguson, Peter R. Tremaine
Summary: A custom-built flow-through AC conductivity instrument was used to measure the deuterium isotope effect on the ionization quotient of bisulfate at high temperatures and pressure. The conductivities of various solutions were measured and fitted with a conductivity model to obtain single ion conductivities. This study provides new insights into the behavior of bisulfate in heavy water at different temperatures.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Matthew W. Wolf, Swaroop Sasidharanpillai, Peter R. Tremaine
Summary: This study investigates the Raman spectra of dilute sodium glycolate in aqueous solutions under different concentrations and temperatures, revealing the formation of a doubly-deprotonated glycolate dianion. The equilibrium quotients and thermodynamic parameters for this deprotonation process were calculated.
JOURNAL OF SOLUTION CHEMISTRY
(2023)
Article
Chemistry, Physical
Jacy Conrad, Peter R. Tremaine
Summary: A custom-built titanium-sapphire flow cell coupled with a confocal Raman microscope was used to analyze the Raman spectra of sodium and potassium phosphate solutions in different temperatures and pressures. The study indicated that increasing temperature strengthens the oxyanion-water hydrogen bonds, with the first experimental ionization constants reported at elevated temperatures for this reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)