Results 51 to 60 of about 1,596,891 (346)

Facetted patchy particles through entropy-driven patterning of mixed ligand SAMS

, 2011
We present a microscopic theory that describes the ordering of two distinct ligands on the surface of a faceted nanoparticle. The theory predicts that when one type of ligand is significantly bulkier than all others, the larger ligands preferentially ...
Aaron Santos, Ahmadi, Alder, Brak, Browne, Cardy, Centrone, Clark, Daniel, Dimarzio, Doppelbauer, Duplantier, Frenkel, Glotzer, Grabiner, Guo, Haji-Akbari, Hammersley, Hill, Hong, Jackson, Jaime Andres Millan, Jian, Jiang, Klymko, Kuna, Lane, Li, Love, Maye, Miller, Millstone, Mirkin, Nykypanchuk, Pacholski, Parak, Paul, Pronk, Puntes, Quan, Santos, Schreiber, Sciortino, Sharon C. Glotzer, Singh, Singh, Singh, Sun, Sun, Tang, Tian, Tkachenko, Ulman, Van Rensburg, Wang, Wilber, Williamson, Wood, Zhang, Zhang, Zhao, Zhao, Ziherl   +62 more
core   +1 more source

A Fragment-Based Approach for the Development of G-Quadruplex Ligands: Role of the Amidoxime Moiety [PDF]

, 2018
G-quadruplex (G4) nucleic acid structures have been reported to be involved in several human pathologies, including cancer, neurodegenerative disorders and infectious diseases; however, G4 targeting compounds still need implementation in terms of drug ...
Butovskaya, Elena, Doria, Filippo, Freccero, Mauro, Lena, Alberto, Nadai, Matteo, Pirota, Valentina, Richter, Sara N, Tassinari, Martina   +7 more
core   +2 more sources

Clinical Insights Into Hypercalcemia of Malignancy in Childhood

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Hypercalcemia of malignancy (HCM) is a rare but life‐threatening metabolic emergency in children that occurs in less than 1% of pediatric cancer cases, with a reported incidence ranging from 0.4% to 1.0% across different studies. While it is observed in 10%–20% of adult malignancies, pediatric HCM remains relatively uncommon.
Hüseyin Anıl Korkmaz
wiley   +1 more source

Machine Learning Methods as a Cost-Effective Alternative to Physics-Based Binding Free Energy Calculations

Molecules
The rank ordering of ligands remains one of the most attractive challenges in drug discovery. While physics-based in silico binding affinity methods dominate the field, they still have problems, which largely revolve around forcefield accuracy and ...
Nupur Bansal, Ye Wang, Simone Sciabola
doaj   +1 more source

Reactions of isonitriles with [Fe₃(CO)₁₂] and [Ru₃(CO)₁₂] monitored by electrospray mass spectrometry: structural characterisation of [Fe₃(CO)₁₀(CNPh)₂] and [Ru₄(CO)₁₁(μ₃-η²-CNPh)₂(CNPh)] [PDF]

, 2004
The reactions of [Fe₃(CO)₁₂] or [Ru₃(CO) ₁₂] with RNC (R=Ph, C₆H₄OMe-p or CH₂SO₂C₆H₄Me-p) have been investigated using electrospray mass spectrometry. Species arising from substitution of up to six ligands were detected for [Fe₃(CO)₁₂], but the higher ...
Decker, Corry, Henderson, William, Nicholson, Brian K.   +2 more
core   +2 more sources

Tetra­aceto­nitrile­lithium tetra­iso­thio­cyanato­borate [PDF]

, 2013
The crystal structure of the title salt, [Li(CH3CN)4][B(NCS)4], is composed of discrete cations and anions. Both the Li and B atoms show a tetra­hedral coordination by four equal ligands. The aceto­nitrile and iso­thio­cyanate ligands are linear.
Bolte, Michael, Breunig, Jens Michael, Lerner, Hans-Wolfram, Wietelmann, Ulrich   +3 more
core   +1 more source

Mapping the evolution of mitochondrial complex I through structural variation

FEBS Letters, EarlyView.
Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin, Tingting Chen, James A. Letts   +2 more
wiley   +1 more source

Quantitative prediction of multivalent ligand–receptor binding affinities for influenza, cholera, and anthrax inhibition [PDF]

, 2018
Multivalency achieves strong, yet reversible binding by the simultaneous formation of multiple weak bonds. It is a key interaction principle in biology and promising for the synthesis of high-affinity inhibitors of pathogens. We present a molecular model
Liese, Susanne, Netz, Roland R.
core   +2 more sources

Organoids in pediatric cancer research

FEBS Letters, EarlyView.
Organoid technology has revolutionized cancer research, yet its application in pediatric oncology remains limited. Recent advances have enabled the development of pediatric tumor organoids, offering new insights into disease biology, treatment response, and interactions with the tumor microenvironment.
Carla Ríos Arceo, Jarno Drost
wiley   +1 more source

Iron and Zinc in the Embryo and Endosperm of Rice (Oryza sativa L.) Seeds in Contrasting 2′-Deoxymugineic Acid/Nicotianamine Scenarios

Frontiers in Plant Science, 2018
Iron and Zn deficiencies are worldwide nutritional disorders that can be alleviated by increasing the metal concentration of rice (Oryza sativa L.) grains via bio-fortification approaches.
Pablo Díaz-Benito, Raviraj Banakar, Sara Rodríguez-Menéndez, Teresa Capell, Rosario Pereiro, Paul Christou, Paul Christou, Javier Abadía, Beatriz Fernández, Ana Álvarez-Fernández   +9 more
doaj   +1 more source