Results 261 to 270 of about 2,829,604 (309)

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

Advanced Science, EarlyView.
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su, Xitao Wang, Musen Li, Guanhua Qin, Shunbo Hu, Tong‐Yi Zhang   +5 more
wiley   +1 more source

Quantum machine learning for predicting anastomotic leak: a clinical study. [PDF]

Sci Rep
Novák V, Zelinka I, Přibylová L, Martínek L, Benčurik V.   +4 more
europepmc   +1 more source

The Natural Product Corramycin Acts as a DNA Gyrase Poison and Overcomes Fluoroquinolone Resistance in Mycobacterium tuberculosis

Advanced Science, EarlyView.
Corramycin, a myxobacterial natural product antibiotic, exhibits potent bactericidal activity against multidrug‐resistant Mycobacterium tuberculosis. The compound hijacks bacterial transporters such as BacA and OppABCD to enter the cell and inhibits DNA synthesis through a previously unrecognized mode of DNA gyrase poisoning, locking the enzyme in an ...
Franziska Fries, Jennifer Herrmann, Michael Dal Molin, Yaëlle Wormser, Timo Risch, Yunsheng Gao, Gareth Prosser, Francesca Gubellini, Ariel Mechaly, Joshua B. Wallach, Anthony Castro, Arka Banerjee, Sari Rasheed, Alexander Horn, Mathias Müsken, Michael Kurz, Lindsay Sonnenkalb, Viola Dreyer, Stefan Niemann, Sönke Andres, Dirk Schnappinger, Uli Kazmaier, Norbert Reiling, Rolf Müller, Jan Rybniker, Stéphanie Petrella   +25 more
wiley   +1 more source

Predicting room temperature phosphorescence of new organic molecules by combining physical models and data-driven methods. [PDF]

Chem Sci
Wu X, Troisi A.
europepmc   +1 more source

Tunable p–p Interactions Along Linear Chains Control Metavalent Bonding in Chalcogenide Heterostructures

Advanced Science, EarlyView.
Substitution of Sr at the Pb site within an atomic plane of PbTe perturbs the p–p hopping network. Since Sr does not support the p–p interaction key to metavalent bonding along (‐Pb‐Te‐) chains, long‐range electronic charge transfer in response to displacement of Pb is stalked at the Sr site.
Sakshi Verma, Kanishka Biswas, Umesh V. Waghmare, C. N. R. Rao   +3 more
wiley   +1 more source

Adaptive quantum kernel selection via leakage-free stacking for clinical diagnostics on NISQ hardware. [PDF]

Sci Rep
Daga M, Naole S, Parikh D, Bommineni KR, Ramu SP.   +4 more
europepmc   +1 more source

Giant Magnetic Purcell Effect Induced by High‐Order Mie Resonances

Advanced Science, EarlyView.
High‐order Mie resonances in dielectric spheres selectively amplify magnetic dipole emission from Eu3+ emitters, producing a giant magnetic Purcell effect. Localized emitters can efficiently access high‐order resonant modes, and the low‐loss TiO2 platform enables direct far‐field observation of the enhanced emission.
Haonan Shi, Ningning Song, Anjun Huang, Zhengwen Yang, Jingbo Sun, Yongzheng Wen, Ji Zhou   +6 more
wiley   +1 more source

All-optical computing towards 100-GHz clock rates. [PDF]

Light Sci Appl
Li GHY, Parto M, Ge J, Ji QX, Gao M, Yu Y, Williams J, Gray RM, Leefmans CR, Englebert N, Vahala KJ, Marandi A.   +11 more
europepmc   +1 more source

6.1% Volumetric Negative Thermal Expansion Induced by the Reversible Reconstructive Phase Transition in Pb‐Free Bi1−xLnxCoO3 (Ln: Lanthanoid)

Advanced Science, EarlyView.
Perovskite‐type oxide lanthanoid‐substituted BiCoO3 exhibits a reversible negative thermal expansion (NTE) originated from the coordination change from the CoO5 pyramid to the CoO6 octahedron due to melting of the dxy orbital ordering in the d6 electron configuration, and the 6.1% volume shrinkage in Bi0.82Nd0.18CoO3 is the largest ever observed in the
Yuki Sakai, Kazuki Takahashi, Shogo Wakazaki, Takumi Nishikubo, Jun Miyake, Takehiro Koike, Teppei Nagase, Takafumi Yamamoto, Kano Hatayama, Masaichiro Mizumaki, Masaki Azuma   +10 more
wiley   +1 more source

Symmetry-constrained hybrid quantum-classical convolutional neural networks for rotation-robust face recognition. [PDF]

Front Artif Intell
Sony Priya S, Minu RI.
europepmc   +1 more source