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Allelopathic interactions between the brown algal genus lobophora (dictyotales, phaeophyceae) and scleractinian corals
(Nature Publishing Group, 2016-01-05)
Allelopathy has been recently suggested as a mechanism by which macroalgae may outcompete corals in damaged reefs. Members of the brown algal genus Lobophora are commonly observed in close contact with scleractinian corals ...
Modeling ignition of a heptane isomer: improved thermodynamics, reaction pathways, kinetics, and rate rule optimizations for 2-methylhexane
(American Chemical Society, 2016-03-21)
Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important to investigate the combustion behavior of real fuels. Improving the fidelity of existing kinetic models is a ...
Metallacarboranes and their interactions: theoretical insights and their applicability
(Royal Society of Chemistry, 2012-02-14)
This tutorial review will deal with the study of metallacarboranes and their interactions with other molecules from a theoretical point of view. This contribution is devoted to guide experimental chemists through calculations ...
Controlling the pirouetting motion in rotaxanes by counterion exchange
(American Chemical Society, 2014-07-25)
A fine control of the pirouetting motion of rotaxanes was achieved by using a series of metallabisdicarbollides. The latter were used as anions in the protonated form of benzylic amide macrocycle-containing fumaramide ...
Light driven styrene epoxidation and hydrogen generation using H2O as an oxygen source in a photoelectrosynthesis cell
(Royal Society of Chemistry, 2015-10-02)
A dye-sensitized photoelectrosynthesis cell (DSPEC) has been prepared for the oxidation of alkenes to
epoxides and evolution of hydrogen using water as an oxygen source and sunlight. A Ru oxidation catalyst,
2,2+
, is ...
Synthesis of migrastatin analogues as inhibitors of tumour cell migration: Exploring structural change in and on the macrocyclic ring
(Wiley, 2015-11-04)
Migrastatin and isomigrastatin analogues have been synthesised in order to contribute to structure-activity studies on tumour cell migration inhibitors. These include macrocycles varying in ring size, functionality and ...
Tailoring cocrystal and salt formation and controlling the crystal habit of diflunisal
(American Chemical Society, 2016-09-26)
Crystal habit modification of the drug diflunisal that normally grows into extremely thin, long needles has been achieved by breaking the stacking effect with the help of coformers. Eight new cocrystals are reported, along ...
A high-pressure rapid compression machine study of n-propylbenzene ignition
(Elsevier ScienceDirect, 2013-08-28)
This study presents new ignition delay data measured in a rapid compression machine over a wide range temperature, pressure and fuel/air ratio. This data is an extension of that measured previously (D. Darcy, C.J. Tobin, ...
Interaction of nanoparticles with ideal liquid-liquid interfaces
(2009)
Using molecular simulations the interaction between a noncharged nanoparticle and an ideal liquid-liquid interface is studied. The free energy profile as function of nanoparticle-interface separation is determined using ...
Sulfamerazine: Understanding the influence of slip planes in the polymorphic phase transformation through X-ray crystallographic studies and ab initio lattice dynamics
(American Chemical Society, 2015-08-28)
Understanding the polymorphism exhibited by organic active-pharmaceutical ingredients (APIs), in particular the relationships between crystal structure and the thermodynamics of polymorph stability, is vital for the ...