Results 181 to 190 of about 100,827 (266)

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‐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

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

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

Light-Activated Qubit Coupling in a Vanadyl Porphyrin Trimer. [PDF]

J Am Chem Soc
Privitera A, Chiesa A, Santanni F, Ranieri D, Sahu PP, Krzyaniak MD, Caneschi A, Young RM, O Senge M, Totti F, Wasielewski MR, Carretta S, Sessoli R.   +12 more
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

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

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

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

Establishing a Model Precursor System: Over a Decade of Research on Carbon Dots from the Citric Acid‐Urea System

Advanced Functional Materials, EarlyView.
The citric acid/urea (CA‐Urea) precursor system offers a versatile, scalable route to carbon dots with tunable luminescence and multifunctionality. Mechanistic insights into precursor chemistry and reaction parameters have enabled doping, surface modification, and hybridization strategies, yielding CDs for luminescent devices, sensing, catalysis ...
Yupeng Liu, Zhiqi Cai, Xiangxin Sun, Hanyi Zhang, Yiming Hao, Jun Wu, Zekun Yan, Xue Wu, Yiqi Liang, Liming Wang, Songnan Qu   +10 more
wiley   +1 more source