Results 41 to 50 of about 16,603 (164)

Usage of the term provenance in LIS literature: An Annual Review of Information Science and Technology (ARIST) paper

Journal of the Association for Information Science and Technology, EarlyView.
Abstract Provenance is the story of how something has come to be. In this paper, we provide a systematic literature review to categorize the various notions of provenance in Information Sciences. The goal of this review is to paint a broader picture of the multiple uses of provenance at play and to enhance our understanding of the importance of ...
Rhiannon Bettivia, Yi‐Yun Cheng, Michael R. Gryk   +2 more
wiley   +1 more source

Tuning Physical and Electrochemical Properties of Lithium Metal Batteries: Effect of Lithium Difluorophosphate at Different Concentrations in 1,2‐Dimethoxyethane

Batteries &Supercaps, Accepted Article.
Despite the reported benefits of lithium difluorophosphate (LiDFP), studies on its physical and electrochemical properties remain limited. This work systematically investigates LiDFP and its potential for lithium metal battery (LMB) electrolytes using a combined experimental and theoretical approach.
Thuy Duong Pham, Abdullah Bin Faheem, Kyungwon Kwak, Kyung-Koo Lee   +3 more
wiley   +1 more source

Effect of Trimethylamine‐N‐Oxide (TMAO) and Sorbitol on the Catalytic Activity of Candida boidinii Formate Dehydrogenase

ChemCatChem, EarlyView.
The effects of the osmolytes TMAO and sorbitol on the catalytic activity of Candida boidinii formate dehydrogenase are investigated using computational and experimental studies. The osmolytes exert different effects on the inter‐domain fluctuations, solvation, and active site dynamics of the enzyme as well as on the substrate residence times.
Julio A. Perez‐Erviti, Yasser Almeida‐Hernández, Joel Mieres‐Perez, Nicolas Gajardo‐Parra, Roland Winter, Christoph Held, Gabriele Sadowski, Elsa Sanchez‐Garcia   +7 more
wiley   +1 more source

Built‐In Electric Field Effects Tailoring Solvation Sheath and Desolvation Processes of Solvated Zn2+ Toward Stable Aqueous Rocking‐Chair Zinc‐Ion Batteries

Carbon Energy, EarlyView.
TiO2/TiSe2–C heterointerfaces can create built‐in electric fields (BEFs) effects, and the intercalation mechanism is converted from the of Zn(H2O)62+ to smaller Zn(H2O)22+, featuring lower charge transfer energy barriers, faster ion transfer kinetics, suppression of HER, increased Ti–Se bond strength, and enhanced structural stabilities.
Peng Cai, Xin He, Kangli Wang, Zidong Zhang, Qingyuan Wang, Yumeng Liu, Haomiao Li, Min Zhou, Wei Wang, Kai Jiang   +9 more
wiley   +1 more source

Carbohydrate Synthesis is Entering the Data‐Driven Digital Era

Chemistry – A European Journal, EarlyView.
The outcome of glycosylations, essential for glycochemistry, is difficult to predict due to its intricate mechanism and the influence of protective groups. Recent advances illustrate that integrating digital tools like automation, computational modelling, and data management drives progress in the carbohydrate synthesis field.
Eric T. Sletten, Jakob B. Wolf, José Danglad‐Flores, Peter H. Seeberger   +3 more
wiley   +1 more source

Molecular Dynamics of High‐Pressure Liquid Water: Going from Ambient to Near‐Critical Temperatures

Chemistry – A European Journal, EarlyView.
The properties of liquid water were investigated along the isobar of 25 MPa from ambient to near‐critical temperatures, using molecular dynamics simulations. Noticeable changes in the shape of the radial distribution functions, in several structural order parameters and entropic quantities, as well as in the reorientational and HB dynamics were ...
Ioannis Skarmoutsos, Elvira Guardia
wiley   +1 more source

Two‐photon Excitation of Bright Diaza[4]Helicenes for Isotropic and Circularly Polarized Emission

Chemistry – A European Journal, EarlyView.
Tris‐p‐OMe cationic diaza[4]helicenes with improved (CPL) brightness (up to 3.4 M−1 cm−1 for 2d) are achieved by combining high Φf and enhanced chiroptical properties arising with branched N‐substituents. Efficient 2PE at 810 nm and 2PE CPL spectra are reported, the latter being uncommon for small organic molecules.
Bibiana Fabri, Davide F. De Rosa, Dominic J. Black, Rebecca Mucci, Artemijs Krimovs, Robert Pal, Jérôme Lacour   +6 more
wiley   +1 more source

Solvation chemistry in liquid electrolytes for rechargeable lithium batteries at low temperatures

EcoEnergy, EarlyView.
This review discusses the solvation chemistry of the electrolyte in lithium batteries (LBs) at low temperature (LT). It highlights the Li+ solvation chemistry in LBs at LT, including the properties of the solvent, the solvation structure of Li+, strategies of tuning solvation chemistry via solvents/lithium salts, and characterization techniques of ...
Houzhen Li, Chuncheng Yan, Shuhua Wang
wiley   +1 more source

Unveiling the Formation and Electrochemical Properties of Nano‐Clusters in Lithium Battery Electrolyte Induced by Nitrate Ion

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The combination of molecular dynamics and spectra analysis unveils that the addition of LiNO3 can largely increase the average size of Li+‐solvation structures with the formation of nanoclusters, which are endowed with intrinsically narrow energy levels and contribute to the formation of a stable electrode/electrolyte interphase for lithium metal ...
Jingwei Zhang, Jia Li, Yawen Li, Kun Li, Weiwei Xie, Qing Zhao   +5 more
wiley   +1 more source

Modeling the Implied Volatility Smirk in China: Do Non‐Affine Two‐Factor Stochastic Volatility Models Work?

Journal of Futures Markets, EarlyView.
ABSTRACT In this paper, we investigate alternative one‐factor and two‐factor continuous‐time models with both affine and non‐affine variance dynamics for the Chinese options market. Through extensive empirical analysis of the option panel fit and diagnostics, we find that it is necessary to include both the non‐affine feature and the multi‐factor ...
Yifan Ye, Zheqi Fan, Xinfeng Ruan
wiley   +1 more source