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Search Results for "Charge Assited Halogen Bond"

06:52 EDT 25th May 2013 | BioPortfolio

Original Source: Isothermal Calorimetric Titrations on Charge-Assisted Halogen Bonds: Role of Entropy, Counterions, Solvent, and Temperature.

We have conducted isothermal calorimetric titrations to investigate the halogen-bond strength of cationic bidentate halogen-bond donors toward halides, using bis(iodoimidazolium) compounds as probes. These data are intended to aid the rational design of halogen-bond donors as well as the development of halogen-bond-based applications in solution. In all cases examined, the entropic contribution to the overall free energy of binding was found to be very important. The binding affinities showed little depende...

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Drug Delivery - news, views, blogs

Drug delivery is the method or process of administering a pharmaceutical compound to achieve a therapeutic effect in humans or animals.  Drug delivery technologies are patent protected formulat...

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Small change for a big improvement – halogen bonds and drug discovery

Halogen bonding has been applied in crystal engineering, materials research, and nanotechnology for some time. Scientists from the Heidelberg Institute for Theoretical Studies (HITS) and the Czech Ac...

Halogen Bonds

Here's a recent paper in J. Med. Chem. on halogen bonding in medicinal chemistry. I find the topic interesting, because it's an effect that certainly appears to be real, but is rarely (if ever) exploi...

Small change for big improvement: Halogen bonds and drug discovery

Halogen bonding has been applied in crystal engineering, materials research, and nanotechnology for some time. Scientists have now developed a new tool to use halogen bonds for drug discovery applicat...

Halogen-bonding-triggered supramolecular gel formation

Supramolecular gels whose properties can be tuned through non-covalent interactions — typically metal coordination or hydrogen bonding — are attracting attention in various fields. Researchers hav...

The Theology of Ligand Efficiency

So in my post the other day about halogen bonds, I mentioned my unease at sticking in things like bromine and iodine atoms, because of the molecular weight penalty involved. Now, it's only a penalty i...

US bond markets set full-steam ahead for September

Aug 30 (IFR) - The US bond markets are bracing for as much as US$130bn of investment-grade and high-yield bond issues in September, with some of the world's biggest corporates looking to pull forward...

Extreme oxatriquinanes and a record C–O bond length

Oxatriquinane is a remarkably stable alkyl oxonium ion, despite the fact that its carbon–oxygen bond lengths are 1.54 Å. The robust nature of this fused tricyclic molecule enabled the addition of i...

JG Summit raises $750 mln in Philippines' biggest corporate bond issue

MANILA, Jan 17 (Reuters) - Conglomerate JG Summit Holdings Inc has raised $750 million in the largest international bond issue by a Philippine company, and has achieved the lowest yield ever for a 10-...

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Halogen Bond Involving Hypervalent Halogen: CSD Search and Theoretical Study.

The Cambridge Structure Database search shows that there are over seventy crystal structures containing halogen bonds in which hypervalent halogens, not monovalent halogens as usual, behave as accepto...

Nature of a Hydride-Halogen Bond. A SAPT-, QTAIM-, and NBO-Based Study.

The nature of a hydride-halogen bond is investigated by means of high-level quantum mechanical calculations expended with symmetry-adapted perturbation theory (SAPT), quantum theory of atoms in molecu...

Isothermal Calorimetric Titrations on Charge-Assisted Halogen Bonds: Role of Entropy, Counterions, Solvent, and Temperature.

We have conducted isothermal calorimetric titrations to investigate the halogen-bond strength of cationic bidentate halogen-bond donors toward halides, using bis(iodoimidazolium) compounds as probes....

Some measures for making halogen bonds stronger than hydrogen bonds in H(2)CS-HOX (X = F, Cl, and Br) complexes.

The properties and applications of halogen bonds are dependent greatly on their strength. In this paper, we suggested some measures for enhancing the strength of the halogen bond relative to the hydro...

The Prominent Enhancing Effect of the Cation-π Interaction on the Halogen-Hydride Halogen Bond in M(1) ⋅⋅⋅C(6) H(5) X⋅⋅⋅HM(2).

We designed M(1) ⋅⋅⋅C(6) H(5) X⋅⋅⋅HM(2) (M(1) =Li(+) , Na(+) ; X=Cl, Br; M(2) =Li, Na, BeH, MgH) complexes to enhance halogen-hydride halogen bonding with a cation-π interaction. The inte...

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