Results 81 to 90 of about 5,534,558 (317)

Biological and structural properties’ interpretation on antitumour drug 3-(2-aminoethyl) indole (tryptamine) using molecular spectroscopy and computational tools

Journal of Taibah University for Science, 2019
In this work, the known and unknown structural as well as biological properties of 3-(2-aminoethyl) indole (tryptamine) were interpreted using molecular spectroscopy (FT-IR, FT-Raman, NMR and UV–Visible) and cheminformatic tools.
K. Hemachandran, P. Anbusrinivasan, S. Ramalingam, C. Manoharan, R. Aarthi   +4 more
doaj   +1 more source

Structural, spectral, biological and antioxidant analyses of baicalin and ıts vanadium complexes: a dft study

Cumhuriyet Science Journal, 2020
Molecular simulation analyses of baicalin and its vanadium complexes were done at B3LYP/6-31+G(d) and B3LYP/ANL2DZ levels, respectively. The conformer analyses were performed for baicalin and the most stable one is determined at OPLS3e method by using ...
Koray Sayın, Ayhan Üngördü
doaj   +1 more source

Inhibiting stearoyl‐CoA desaturase suppresses bone metastatic prostate cancer by modulating cellular stress, mTOR signaling, and DNA damage response

FEBS Letters, EarlyView.
Bone metastasis in prostate cancer (PCa) patients is a clinical hurdle due to the poor understanding of the supportive bone microenvironment. Here, we identify stearoyl‐CoA desaturase (SCD) as a tumor‐promoting enzyme and potential therapeutic target in bone metastatic PCa.
Alexis Wilson, Mackenzie K Herroon, Shane Mecca, Laimar C Garmo, Jacob Lindquist, Shrila Rajendran, Steve M. Patrick, Izabela Podgorski   +7 more
wiley   +1 more source

Quantitative representation of reactivity, selectivity and site activation concepts in organic chemistry [PDF]

, 2004
Indexación: ScieloReactivity, selectivity and site activation are classical concepts in chemistry which are amenable to quantitative representation, in terms of static global, local and non local density response functions.
Contreras, Renato R., Parra-Mouche, Julia, Pérez, Patricia   +2 more
core  

Chemical reactivity imprint lithography on graphene: Controlling the substrate influence on electron transfer reactions

, 2012
The chemical functionalization of graphene enables control over electronic properties and sensor recognition sites. However, its study is confounded by an unusually strong influence of the underlying substrate.
Ham, Moon-Ho, Hilmer, Andrew J., Jarillo-Herrero, Pablo, Jin, Zhong, Kim, Ki Kang, Kong, Jing, Paulus, Geraldine L. C., Sanchez-Yamagishi, Javier D., Shih, Chih-Jen, Strano, Michael S., Taniguchi, Takashi, Wang, Qing Hua, Watanabe, Kenji   +12 more
core   +1 more source

Geochemical reactivity of subsurface sediments as potential buffer to anthropogenic inputs: a strategy for regional characterization in the Netherlands [PDF]

, 2011
Geochemical reactivity of subsurface sediments as potential buffer to anthropogenic inputs: a strategy for regional characterization in the ...
Gaans, P.F.M., van, Griffioen, J., Klaver, G., Mol, G.   +3 more
core   +3 more sources

Structural biology of ferritin nanocages

FEBS Letters, EarlyView.
Ferritin is a conserved iron‐storage protein that sequesters iron as a ferric mineral core within a nanocage, protecting cells from oxidative damage and maintaining iron homeostasis. This review discusses ferritin biology, structure, and function, and highlights recent cryo‐EM studies revealing mechanisms of ferritinophagy, cellular iron uptake, and ...
Eloise Mastrangelo, Flavio Di Pisa
wiley   +1 more source

A Structure-Based Platform for Predicting Chemical Reactivity

Chem, 2019
Despite their enormous potential, machine learning methods have only found limited application in predicting reaction outcomes, as current models are often highly complex and, most importantly, are not transferrable to different problem sets.
Frederik Sandfort, Felix Strieth-Kalthoff, Marius Kühnemund, C. Beecks, F. Glorius   +4 more
semanticscholar   +1 more source

Helium-hydrogen immiscibility at high pressures

, 2019
Hydrogen and helium are the most abundant elements in the universe and they constitute the interiors of gas giant planets. Thus, their equations of states, phase, chemical state, and chemical reactivity at extreme conditions are of great interest ...
Geballe, Zachary M., Goncharov, Alexander F., Greenberg, Eran, Jiang, Shuqing, Pakornchote, Teerachote, Prakapenka, Vitali, Somayazulu, Maddury, Wang, Yu, Zhang, Xiao   +8 more
core   +1 more source

Potential peptidic proteasome inhibitors by incorporation of an electrophilic trap based on amino acid derived α-substituted sulfonyl fluorides [PDF]

, 2017
Peptido sulfonyl fluoride derivatives were designed and synthesized containing a substituent on the alpha position (αPSFs) with respect to the sulfonyl fluoride electrophilic trap.
Brouwer, Arwin J., Herrero Alvarez, Natalia, Liskamp, Rob M.J., Van De Langemheen, Helmus   +3 more
core   +1 more source