Results 251 to 260 of about 255,274 (347)

Predicting Drop‐Weight Impact Sensitivity From Molecular Graphs Using Physics‐Informed Artificial Intelligence

Propellants, Explosives, Pyrotechnics, EarlyView.
This work presents an approach for predicting the drop‐weight impact sensitivity of pure molecular explosives directly from 2D molecular graphs using physics‐informed artificial intelligence (AI) models. A dataset comprising experimentally measured sensitivities for 625 unique high‐explosive molecules is augmented with physics‐informed synthetic ...
Grant Hutchings, Jack V. Davis, Virginia W. Manner, Marc J. Cawkwell, Frank W. Marrs   +4 more
wiley   +1 more source

Watching Alkaline Phosphatase Catalysis Through Its Vibrational Fingerprint. [PDF]

Biology (Basel)
Tamagnini M, Jiang H, Klivansky L, Bustamante C, Lanzara A.   +4 more
europepmc   +1 more source

Supplemental Table 3 from Nitrated polycyclic aromatic hydrocarbon (nitro-PAH) signatures and somatic mutations in diesel exhaust-exposed bladder tumors

Nicole Gonzalez, Nina Rao, Michael Dean, Donghyuk Lee, Amber N. Hurson, Dalsu Baris, Molly Schwenn, Alison Johnson, Ludmila Prokunina‐Olsson, Melissa C. Friesen, Bin Zhu, Nathaniel Rothman, Debra T. Silverman, Stella Koutros   +13 more
openalex   +1 more source

Characterization of Structure, Properties, and Energetic Performance of a 1:1 Ammonium Dinitramide‐3,4‐Diaminofurazan Cocrystal

Propellants, Explosives, Pyrotechnics, EarlyView.
Ammonium dinitramide (ADN) and 3,4‐Diaminofurazan (DAF) form a 1:1 energetic cocrystal. We report its crystal structure and spectroscopic signature and evaluate thermal stability, decomposition behavior, hygroscopicity, and combustion properties. Propellant performance calculations benchmark the material against guanylurea dinitramide (GuDN) and ...
Peter Schultz, Uwe Schaller, Thomas Heintz   +2 more
wiley   +1 more source

Dearomative Nucleophilic Addition of Lithium Enolates to Electron-Poor Indoles. [PDF]

Chemphyschem
Roseau M, Hédouin M, Fressigné C, Legros J, Chataigner I.   +4 more
europepmc   +1 more source

Salicylic acid: a key natural foundation for next‐generation plant defense stimulators

Pest Management Science, EarlyView.
Salicylic acid is emerging as a key natural molecule in sustainable crop protection, supporting diverse strategies to stimulate and sustain plant immunity for a greener agricultural future. Abstract The field of crop protection is undergoing a major transition.
Ruth Oussou, Sylvain La Camera, Cécile Marivingt‐Mounir, Jean‐François Chollet   +3 more
wiley   +1 more source

Immune and epithelial responses to textile dyes: the role of chemical structure in toxicity. [PDF]

Front Allergy
Cortes LM.
europepmc   +1 more source

Ashwagandha: Is It Safe? Part 2: A Preclinical Evidence Review

Phytotherapy Research, EarlyView.
ABSTRACT The preclinical evidence for the safety of ashwagandha (Withania somnifera (L.) Dunal, AS) is reviewed, and its preparations (extracts) and constituents, from the general toxicity in animal models to in vitro and cell culture studies, which may elucidate mechanisms of action and explain clinical case reports.
Elizabeth M. Williamson, Thomas Brendler
wiley   +1 more source

Effect of the [Fe(salen)]₂-μ-oxo Catalyst Electronic Structure on Reductive Hydroamination. [PDF]

Inorg Chem
Pocock E, Buxton NJ, Diefenbach M, Bond AD, Lewis SE, Krewald V, Webster RL.   +6 more
europepmc   +1 more source

Surface Sulfate Modification Promoted Excitons Extraction of BiOBr Nanosheets for Efficient 1O2 Photosynthesis and Chlorophenols Dechlorination

Rare Metals, EarlyView.
ABSTRACT Photocatalytic molecular oxygen (O2) activation provides a sustainable approach to produce singlet oxygen (1O2) for organic contaminants detoxification. However, the charge carriers‐involved pathway usually suffers from unsatisfactory 1O2 production efficiency owing to energy loss caused by photogenerated hole‐mediated superoxide species (•O2−
Yan‐Biao Shi, Zhi‐Ping Yang, Chen‐Chen Zhang, Pin‐Ji Chen, Hao‐Yang Fu, Xu‐Peng Liu, Hao Li, Bo Lai, Li‐Zhi Zhang   +8 more
wiley   +1 more source