Results 151 to 160 of about 100,963 (264)

Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum Computing. [PDF]

J Phys Chem Lett
Chaudhuri S, Huynh BC, Amory R, Rogers DM, Cranney A, Martínez-Martínez LA, Macrì T, Jones G, Sheridan E, Khedkar A, Mineh L, Montanaro A, Inzani K, Hirst JD.   +13 more
europepmc   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source

Zeolite Heulandite Modified with N,N'-bis(3-Triethoxysilylpropyl)thiourea-Adsorption of Ni(II) and Cu(II) Ions: A Quantum Chemical Insight into the Mechanism. [PDF]

Molecules
Filatova EG, Nalibayeva AM, Lebedeva OV, Beznosyuk SA, Ryabykh AV, Oborina EN, Abdikalykov YN, Turmukhanova MZ, Rozentsveig IB, Adamovich SN.   +9 more
europepmc   +1 more source

Purcell‐Enhanced Spectrally Precise Emission in Dual‐Microcavity Organic Light‐Emitting Diodes

Advanced Functional Materials, EarlyView.
Spectrally precise emission from broadband organic light‐emitting diodes is realized via a dual‐microcavity strategy. This architecture achieves narrowband emission (full width at half maximum, FWHM = 21 nm) with ultrapure color approaching BT.2020 by enhancing the Purcell effect via coupling of excitons with dual‐microcavity resonance.
Jun Yong Kim, Sang Youn Lee, Kwan Hyun Cho, Yun Seon Do   +3 more
wiley   +1 more source

Harnessing AI and Quantum Computing for Revolutionizing Drug Discovery and Approval Processes: Case Example for Collagen Toxicity. [PDF]

JMIR Bioinform Biotechnol
Braga DM, Rawal B.
europepmc   +1 more source

Laser‐Induced Microfabrication of Carbon Nanostructure: Processing Mechanism and Application for Next‐Generation Battery Technology

Advanced Functional Materials, EarlyView.
The article reviews laser‐processed carbons from various precursors, processing mechanism and their application in advanced batteries. The laser process is chemical free, fast, and scalable, enabling improved battery performance and stability for Li, Na, and Zn battery technologies.
Sujit Deshmukh, Shaista Nouseen, Martin Pumera   +2 more
wiley   +1 more source

RL-MSVP: Reinforcement Learning and Multi-scale Validation Pipeline Investigating Azole-Fused Pyrimidines as Potential <i>Pf</i>DHODH Inhibitors. [PDF]

ACS Omega
Thomas TV, Thakur A, S AK, Mathew AT, Krishnan A.   +4 more
europepmc   +1 more source

Spatiotemporal Plasma–Mediated Laser Fabrication of Ultrahigh‐Aspect‐Ratio Nanochannel Arrays for Vertical Perovskite Nanowire Semiconductor Devices

Advanced Functional Materials, EarlyView.
A spatiotemporal plasma–mediated laser processing approach is developed to fabricate ultrahigh–aspect ratio nanochannel arrays and corresponding perovskite nanowire arrays within transparent materials for optoelectronics devices. The laser‐fabricated nanochannels serve as templates for controlled perovskite infiltration and crystallization, enabling ...
Taijin Wang, Lingfeng Wang, Feng Liu, Gary J. Cheng   +3 more
wiley   +1 more source

SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and Analysis. [PDF]

J Chem Inf Model
Phan TL, González Laffitte ME, Weinbauer K, Merkle D, Andersen JL, Fagerberg R, Gatter T, Stadler PF.   +7 more
europepmc   +1 more source

Synergistic Compatibilization of CsPbBr3 Perovskites and HfO2 Nanocrystals for Hybrid Sensitized Nanoscintillators

Advanced Functional Materials, EarlyView.
Lead halide perovskite nanocrystals are promising scintillators but suffer from reabsorption losses and limited compatibility with high‐Z additives. Hybridization of CsPbBr3 nanocrystals with PbBr2‐passivated HfO2 nanoparticle sensitizers, achieved during or after synthesis, produces stable composites with maintained optical quality, improved ...
Francesco Bruni, Saptarshi Chakraborty, Andrea Fratelli, Abdessamad El Adel, Jordi Llusar, Francesco Carulli, Matteo L. Zaffalon, Chenger Wang, Vojtech Zabloudil, Etiennette Auffray, Francesco Meinardi, Leonardo Poletti, Laura Lazzarini, Daniela Manno, Anna Galli, Francesca Rossi, Ivan Infante, Sergio Brovelli   +17 more
wiley   +1 more source