Results 71 to 80 of about 13,478,919 (312)

Endoscopic Resection of Gastric Submucosal Masses by a Dental Floss Traction Method

open access: yesCanadian Journal of Gastroenterology and Hepatology, 2019
Background and Aims. ESE (endoscopic submucosal excavation) is widely used for the treatment of digestive diseases. The dental floss traction (DFT) method has been successfully used to facilitate ESE to resect mucosal lesions such as early gastric cancer.
Chunyan Zeng   +5 more
doaj   +1 more source

Preferential Interfacial Engineering of Hydrogels via Interdigitated Nanoparticle Assembly

open access: yesAdvanced Functional Materials, EarlyView.
Robust surface functionalization of hydrogel surfaces is performed via interdigitated metal nanoparticle assembly, inducing strong affinity with the hydrogel matrix. The partially exposed nanoparticle domains act as interfacial nanobridges that mediate both chemical and physical bonding with diverse materials, including small molecules, fluorous ...
Hyeonjin Kim   +11 more
wiley   +1 more source

Rapid Microwave Plasma Engineering of HfO2/C@C Core‐Shell Fibrous Membrane Toward Flexible High‐Performance Electromagnetic Wave Absorption

open access: yesAdvanced Functional Materials, EarlyView.
Rapid microwave plasma torch engineering tunes crystal phases, carbon graphitization and oxygen‐vacancy defects in HfO2/C@C core‐shell fibrous membranes. Synergistic multi‐loss effects optimize impedance matching to deliver −65.75 dB reflection loss and a 7.37 GHz effective bandwidth for flexible electromagnetic wave absorption.
Qichao Ding   +14 more
wiley   +1 more source

SNAr Regioselectivity Predictions: Machine Learning Trigger-ing DFT Reaction Modeling through Statistical Threshold [PDF]

open access: yes, 2022
Fast and accurate prospective predictions of the regioselectivity can significantly reduce the time and resources spent on unproductive transformations in the pharmaceutical industry.
Shu, Yu   +4 more
core   +1 more source

Dimensionality‐Driven Interfacial Electronic Coupling in Carbon‐Supported Gd‐CuO Catalysts for Selective CO2 Electroreduction to Ethylene

open access: yesAdvanced Functional Materials, EarlyView.
The 2D carbon‐supported Gd–CuO exhibits strong interfacial electronic coupling, abundant oxygen vacancies, and highly exposed active sites, enabling efficient CO enrichment and C─C coupling toward selective and durable CO2‐to‐C2H4 conversion. ABSTRACT Copper‐based catalysts are promising for electrochemical CO2 reduction toward value‐added chemicals ...
Xueya Zhu   +11 more
wiley   +1 more source

Development of analytic gradients for the Huzinaga quantum embedding method and its applications to large-scale hybrid and double hybrid DFT forces [PDF]

open access: yes
The theory of analytic gradients is presented for the projector-based density functional theory (DFT) embedding approach utilizing the Huzinaga-equation. The advantages of the Huzinaga-equation-based formulation are demonstrated.
Peter, Nagy   +3 more
core   +1 more source

Optimizing NiMo Electrocatalyst Coatings for Hydrogen Evolution in Alkaline Electrolysis With The Machine Learning‐Guided Autonomous Platform CatBot

open access: yesAdvanced Functional Materials, EarlyView.
This work presents a closed‐loop optimization workflow integrating CatBot, an automated synthesis and testing system, to discover NiMo hydrogen‐evolution catalysts. CatBot synthesised and evaluated 228 unique samples, identifying the best performing catalysts for transfer to nickel‐foam electrodes. The best candidate is highly active, reaching 1 Acm−2${
Paolo Vincenzo Freiesleben de Blasio   +7 more
wiley   +1 more source

Robust and Efficient Frequency Estimator for Undersampled Waveforms Based on Frequency Offset Recognition. [PDF]

open access: yesPLoS ONE, 2016
This paper proposes an efficient frequency estimator based on Chinese Remainder Theorem for undersampled waveforms. Due to the emphasis on frequency offset recognition (i.e., frequency shift and compensation) of small-point DFT remainders, compared to ...
Xiangdong Huang   +3 more
doaj   +1 more source

Theoretical unification of hybrid-DFT and DFT+U methods for the treatment of localized orbitals

open access: yes, 2014
Funding Agencies|Knut and Alice Wallenberg Foundation "Isotopic Control for Ultimate Materials Properties"; Swedish Research Council (VR) Grants [621-2011-4426, 621-2011-4249]; Swedish Foundation for Strategic Research program SRL Grant [10-0026]; Swedish National Infrastructure for Computing Grants [SNIC 001/12-275, SNIC 2013/1-331]; "Lendulet program"
Ivády, Viktor   +5 more
openaire   +5 more sources

Lewis Acid Site Engineering in MOF‐Derived Aluminum Oxide/Carbon Composites for Dechlorination of Waste Plastic Pyrolysis Oil

open access: yesAdvanced Functional Materials, EarlyView.
Controlled carbonization of an Al‐MOF partially decomposes its linkers, exposing coordinatively unsaturated Al centers within an oxide/carbon composite. The resulting Lewis acid sites, rather than surface area, govern organochlorine capture: the composite removes chemically diverse organochlorines from waste plastic pyrolysis oil, outperforms a ...
Seong Cheon Kim   +6 more
wiley   +1 more source

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