Results 31 to 40 of about 24,760 (225)
Spin Manipulation by Creation of Single-Molecule Radical Cations [PDF]
, 2015 All-trans-retinoic acid (ReA), a closed-shell organic molecule comprising only C, H, and O atoms, is investigated on a Au(111) substrate using scanning tunneling microscopy and spectroscopy.
Berndt, Richard +15 more
core +3 more sources
Nature Communications, 2023 Terpene cyclases enable the synthesis of (poly)cyclic carbon frameworks via ring closure of linear polyenes. Here, the authors report in-situ formed fluorinated-alcohol-amine supramolecular clusters that mimic terpene cyclases for shape-controlled ...
Andreas M. Arnold +5 more
doaj +1 more source
Advanced Science, EarlyView.Facet‐engineered PVP‐capped CuFeSe2 nanocrystals exhibit potent, selective antifungal activity by strongly binding cell‐wall mannan, enabling vacuolar entry and organelle disruption. High‐index facets show superior mannan affinity, validated by theoretical calculations and experiments. CFS‐P induces vacuolar cavitation, mitochondrial abnormalities, and
Zhaohui Wang +10 more
wiley +1 more source
Therapeutic Uses of Retinol and Retinoid-Related Antioxidants
MoleculesRetinol and retinol-related compounds are essential for human health, particularly in cellular protection, skin health, and the management of medical conditions.
Janka Vašková +4 more
doaj +1 more source
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Advanced Science, EarlyView.A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source
Journal of FungiMultidrug-resistant fungal pathogens and antifungal drug toxicity have challenged our current ability to fight fungal infections. Therefore, there is a strong global demand for novel antifungal molecules with the distinct mode of action and specificity ...
Alex J. Lee +5 more
doaj +1 more source
Genome-Guided Discovery of Pretilactam from Actinosynnema pretiosum ATCC 31565
Molecules, 2019 Actinosynnema is a small but well-known genus of actinomycetes for production of ansamitocin, the payload component of antibody-drug conjugates against cancers.
Jing Wang +9 more
doaj +1 more source
The Hessian biased singular value decomposition method for optimization and analysis of force fields [PDF]
, 1996 We present methodology (HBFF/SVD) for optimizing the form and parameters of force fields (FF) for molecular dynamics simulations through utilizing information about properties such as the geometry, Hessian, polarizability, stress (crystals), and elastic ...
Dasgupta, Siddharth +2 more
core +1 more source
Advanced Science, EarlyView.We introduce a new membrane‐active antifungal design, Gua‐SMACS‐16, that exhibits high potency and single‐species selectivity for C. tropicalis while sparing other close species in the Candida genus. Moreover, when combining with caspofungin, a clinical antifungal drug inhibiting 1,3‐β‐glucan synthase, they exhibit ultra‐strong synergy across a panel ...
Tianjiao Dai +8 more
wiley +1 more source
Molecules with enhanced electronic polarizabilities based on defect-like states in conjugated polymers [PDF]
, 1991 Highly conjugated organic polymers typically have large non-resonant electronic susceptibilities, which give the molecules unusual optical properties. To enhance these properties, defects are introduced into the polymer chain.
Beratan, David N.
core +1 more source