Results 111 to 120 of about 1,084,800 (306)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

open access: yesAdvanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu   +3 more
wiley   +1 more source

esters

open access: yes, 2014
Citation: 'esters' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.E02219 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +2 more sources

Condensation of anhydrides or dicarboxylic acids with compounds containing active methylene groups. Part 19: Condensation of phthalic and substituted phthalic anhydrides with benzoylacetic ester [PDF]

open access: yes
Phthalylbenzoylacetic ester and its nitro and halogen derivatives were prepared through condensation of phthalic anhydride, nitrophthalic anhydride, and phthalic halide anhydride with benzoylacetic ester in a solution of acetic anhydride and ...
Oshkaya, V. P., Rotberg, Y. T.
core   +1 more source

In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

open access: yesAdvanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon   +11 more
wiley   +1 more source

Toward Stable Multivalent Metal Batteries: Understanding the Interfacial Chemistry for Magnesium and Calcium Metal Anodes

open access: yesAdvanced Functional Materials, EarlyView.
Interphase chemistry governs the stability of multivalent metal batteries. We summarize state‐of‐the‐art developments in calcium and magnesium metal batteries by focusing on the correlation among electrolytes, interphase layers, and the electrochemical performance of corresponding metal anodes.
Huijun Lin   +4 more
wiley   +1 more source

Lipases: particularly effective biocatalysts for cosmetic active ingredients

open access: yesOilseeds and fats, crops and lipids, 2017
Enzymes are the tools of choice in the on-going quest for non-pollutant processes to discover molecules for use in skin products. Amongst these biocatalysts, lipases offer considerable potential in terms of ingredient development and are of interest in ...
Yvergnaux Florent
doaj   +1 more source

Teaching, research and service: Experience and opinions of accounting Spanish academics [PDF]

open access: yes
Research, teaching and service are the main activities carried out in almost all European universities. Previous research, which has been mainly centred in North-American universities, has found solid results indicating that research and teaching are not
Ester Oliveras
core  

Multiplex Modular Nanorobotic Systems with Catalytic Activity under Magnetic Navigation

open access: yesAdvanced Functional Materials, EarlyView.
We present modular nanorobots composed of a magnetic propulsion module and different extension modules carrying functional activities, assembled via DNA base pairing. The system integrates propulsion, optical tracking, enzymatic catalysis, and cell docking in a programmable manner.
Voichita Mihali   +7 more
wiley   +1 more source

Ramsey monetary policy with labour market frictions [PDF]

open access: yes
This paper studies the design of optimal monetary policy (in terms of unconstrained Ramsey allocation) in a framework with sticky prices and matching frictions. Furthermore I consider the role of real wage rigidities.
Faia, Ester
core  

Multi‐Responsive Dendrimer‐Hyaluronic Acid Hydrogel With Lubricating and Immunoregulatory Functions for Synergistic Osteoarthritis Therapy

open access: yesAdvanced Functional Materials, EarlyView.
A hydrogel with dynamic cross‐links was formed by cross‐linking hyaluronic acid with curcumin‐preloaded, phenylboronic acid‐modified poly(amidoamine) dendrimers. This hydrogel exhibited excellent injectability and self‐healing ability, enabling controlled Cur release in response to low pH, high reactive oxygen species (ROS) generation, or mechanical ...
Junjie Liu   +9 more
wiley   +1 more source

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