Results 201 to 210 of about 199,150 (290)

Ligand-Induced Electronic Response Enables Predictive QM/MM Simulations. [PDF]

Adv Sci (Weinh)
Ozawa N, Kuroki N, Mori H.
europepmc   +1 more source

Clean Up Behind You ‐ Novel Patterning Approach for Solid Immersion Lenses

Advanced Functional Materials, EarlyView.
A focused ion beam (FIB) milling strategy enables rapid fabrication of solid immersion lenses (SILs) with smooth, debris‐free surfaces eliminating the need for post‐processing. The optimized pattern improves efficiency and surface quality. SILs containing NV centers are also investigated, confirming the technique's suitability for quantum and photonic ...
Aleksei Tsarapkin, Stefan Facsko, Wentao Zhang, Anna Mogilatenko, Kilian Unterguggenberger, Bailiang Li, Cem Güney Torun, Gerhard Hobler, Tommaso Pregnolato, Tim Schröder, Katja Höflich   +10 more
wiley   +1 more source

Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next. [PDF]

ACS Eng Au
Grinberg Dana A, Van Geem KM, Cavallotti C, Green WH.   +3 more
europepmc   +1 more source

DNA‐Origami‐Assembled Rhodium Nanoantennas for Deep‐UV Label‐Free Single‐Protein Detection

Advanced Functional Materials, EarlyView.
Deep‐UV autofluorescence of single proteins in DNA origami‐based rhodium nanoantennas. Precisely positioned within the plasmonic nanogap, proteins retain their native state while their intrinsic emission is strongly amplified, enabling label‐free single‐molecule detection and opening new opportunities for highly sensitive and specific biosensing ...
Nicco Corduri, Malavika Kayyil Veedu, Yifan Yu, Yanqiu Zou, Jie Liu, Denis Garoli, Guillermo P. Acuna, Jérôme Wenger, Karol Kołątaj   +8 more
wiley   +1 more source

Nature meets machine: the AI renaissance in natural product drug discovery. [PDF]

Nat Prod Bioprospect
Muthuraj R, Chandrasekaran J.
europepmc   +1 more source

Halide‐Dependent Photoluminescence and Heavy‐Atom Effects in Low‐Melting Organic–Inorganic Manganese Halides

Advanced Functional Materials, EarlyView.
Two pyridinium‐based ionic liquid templated hybrid manganese halides, (C4Py)2[MnCl4] and (C4Py)2[MnBr4], display similar bulk structures but show significantly different photoluminescence behaviors due to the bromine heavy‐atom effect. Their stable local Mn environments remain intact even in the molten state, allowing applications such as luminescence ...
Biswajit Bhattacharyya, Christian Balischewski, Jiyong Kim, Tiago Duarte, Lianshe Fu, Rute A.S. Ferreira, Alkit Beqiraj, Iuliia Mikulska, Diego Gianolio, Eric Sperlich, Felix Stete, Wouter Koopman, Christina Günter, Katlen Brennenstuhl, Daniel Van Opdenbosch, Cordt Zollfrank, Armin Wedel, Beth J. Murray, Małgorzata Swadźba‐Kwaśny, Tillmann Klamroth, Michael U. Kumke, Verónica de Zea Bermudez, Andreas Taubert   +22 more
wiley   +1 more source

CHARMM-GUI Hybrid ML/MM Builder for Hybrid Machine Learning and Molecular Mechanical Modeling and Simulations. [PDF]

J Chem Inf Model
Szczepaniak F, Suh D, Im W.
europepmc   +1 more source

LL‐37 Driven Phase Transition and Stacking in Oligolamellar Gram‐Negative Bacterial Membrane Models

Advanced Functional Materials, EarlyView.
This work establishes oligolamellar bacterial membrane models to investigate how LL‐37 disrupts the complex dual‐bilayer architecture of Gram‐negative bacteria. Combining SAXS, cryo‐TEM, electrophoretic mobility measurements, and coarse‐grained simulations, it reveals cardiolipin‐driven phase transitions leading to bicelle‐like structures and membrane ...
Bettina Tran, Diane C.A. Lima, Linda Sandblad, Madeleine Ramstedt, Thereza A. Soares, Stefan Salentinig   +5 more
wiley   +1 more source

Physics-informed Hamiltonian learning for large-scale optoelectronic property prediction. [PDF]

Nat Commun
Schwade M, Zhang S, Vonhoff F, Delgado FP, Egger DA.   +4 more
europepmc   +1 more source

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

Advanced 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, Han‐Gyun Lim, Jinyoung Kim, Gyu Min Kim, Seojun Lee, Jun Ryu, SungWon Cho, Jincheol Kim, Hyosung Choi, Jung Sang Cho, Jongsung Park, Dong‐Won Kang   +11 more
wiley   +1 more source