Results 111 to 120 of about 41,251 (305)

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

open access: yesAdvanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano   +5 more
wiley   +1 more source

CONTRIBUTIONS TO THE BIOCHEMISTRY OF BROMINE: II. THE BROMINE CONTENT OF HUMAN TISSUES

open access: yes, 1937
A study of the bromine content in human tissues was made by the method outlined in Part I of this series. In many cases, total halogen determinations were made on the same material.
A. H. Neufeld
core   +1 more source

Steric Coordination Modulated Iodine Chemistry With Four‐Electron Conversion for Zinc‐Iodine Batteries

open access: yesAdvanced Materials, EarlyView.
A dual‐additive electrolyte strategy is developed to address the hydrolysis of I+ in the aqueous electrolytes. The steric‐hindrance effect of TES− effectively shields I+ from nucleophilic attacks by hydroxyl groups, facilitating the reversible I−/I0/I+ conversion with four‐electron transfer.
Shuai Wang   +8 more
wiley   +1 more source

The contribution of anthropogenic bromine emissions to past stratospheric ozone trends: a modelling study [PDF]

open access: yesAtmospheric Chemistry and Physics, 2009
Bromine compounds play an important role in the depletion of stratospheric ozone. We have calculated the changes in stratospheric ozone in response to changes in the halogen loading over the past decades, using a two-dimensional (latitude/height) model ...
B.-M. Sinnhuber   +4 more
doaj  

Interfacial Electronic Restructuring in MAPbBr3/rGO Hybrids Enabling Improved Charge Extraction for Efficient Photodetection

open access: yesAdvanced Materials Interfaces, EarlyView.
MAPbBr3/rGO hybrids exhibit interfacial electronic restructuring that enhances charge extraction in photodetectors. The incorporation of rGO modifies the surface chemical environment, enhances electron‐dominated transport, and suppresses performance degradation, resulting in higher responsivity, detectivity, and photostability than in pristine MAPbBr3 ...
Mohammed Misbah Uddin   +4 more
wiley   +1 more source

Using Soil Chemistry through EDXRF to Identify Archaeological Features at the Site of Ulpiana in Kosova

open access: yesKosova Anthropologica
Chemical analysis of archaeological sediments is a research area that has long interested archaeologists but has seen recent developments. It locates concentrations of chemical elements in soils that can be linked to ancient activities responsible for ...
Arthur Laenger   +3 more
doaj   +1 more source

Xenes for Sustainable Energy: A Roadmap From First‐Principles Design to Practical Deployment

open access: yesAdvanced Materials Interfaces, EarlyView.
Emerging 2D Xenes are advancing from theoretical predictions toward practical energy‐storage and conversion technologies through the integration of first‐principles modelling, experimental synthesis, electrochemical validation, and AI‐assisted materials design, enabling accelerated discovery of high‐performance and sustainable electrochemical systems ...
Onur Karaman, Ceren Karaman
wiley   +1 more source

Introducing bromine to the molecular structure as a strategy for drug design

open access: yesJournal of Medical Science
Nowadays, the search for new pharmaceuticals has resulted in the development of thousands of new substances. One of the effective drug design strategies is to modify a previously obtained and studied substance.
Eduard Potapskyi   +5 more
doaj   +1 more source

Advances in Halide Perovskites for Photon Radiation Detectors

open access: yesAdvanced Materials Technologies, EarlyView.
This work highlights recent progress in perovskite‐based photon radiation detectors, covering organic–inorganic hybrid, inorganic, lead‐free double, and vacancy‐ordered halide perovskites. Their detection performance is compared, material‐specific advantages and challenges are examined, and provides insight into current limitations and future ...
Liangling Wang   +3 more
wiley   +1 more source

Promising Anticancer Activity of Novel Hydroxyethyloxy and Bromo derivatives of Curcumin and Its Complexes with BF2

open access: yesMolecules
Curcumin has long been used for health purposes and is currently attracting significant research interest. In this study, we present a series of curcumin derivatives featuring structural modifications, including methoxy groups, short alcohol chains, and ...
Eduard Potapskyi   +15 more
doaj   +1 more source

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