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Showing 1 to 12 of 87 entries
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Monolayer protected gold nanoparticles with metal-ion binding sites: functional systems for chemosensing applications.

Chemical communications (Cambridge, England)

Pezzato C, Maiti S, Chen JL, Cazzolaro A, Gobbo C, Prins LJ.
PMID: 25947232
Chem Commun (Camb). 2015 Jun 21;51(49):9922-31. doi: 10.1039/c5cc00814j.

In this review we describe the use of monolayer protected gold nanoparticles (Au NPs) for chemosensing applications. The attention is focused on a special subclass of Au NPs, namely those that contain binding sites for metal ions in the...

On the magnetic alignment of metal ions in a DNA-mimic double helix.

The journal of physical chemistry. B

Zhang HY, Calzolari A, Di Felice R.
PMID: 16852946
J Phys Chem B. 2005 Aug 18;109(32):15345-8. doi: 10.1021/jp052202t.

We computed by spin-polarized DFT the structure and the electronic properties of an infinite periodic wire constituted of planar Cu-bridged hydroxypyridone chelator base pairs and of a similarly stacked finite dimer. The Cu centers undergo electronic hybridization with the...

High-efficiency deflection of high-energy protons through axial channeling in a bent crystal.

Physical review letters

Scandale W, Vomiero A, Baricordi S, Dalpiaz P, Fiorini M, Guidi V, Mazzolari A, Della Mea G, Milan R, Ambrosi G, Bertucci B, Burger WJ, Zuccon P, Cavoto G, Luci C, Santacesaria R, Valente P, Vallazza E, Afonin AG, Chesnokov YA, Maisheev VA, Yazynin IA, Kovalenko AD, Taratin AM, Denisov AS, Gavrikov YA, Ivanov YM, Lapina LP, Malyarenko LG, Skorobogatov VV, Suvorov VM, Vavilov SA, Bolognini D, Hasan S, Mozzanica A, Prest M.
PMID: 18999674
Phys Rev Lett. 2008 Oct 17;101(16):164801. doi: 10.1103/PhysRevLett.101.164801. Epub 2008 Oct 16.

Beam deflection due to axial channeling in a silicon crystal bent along the 111 axis was observed with 400 GeV/c protons at the CERN Super Proton Synchrotron. The condition for doughnut scattering of protons by the atomic strings of...

Ab initio correlation effects on the electronic and transport properties of metal(II)-phthalocyanine-based devices.

Nanotechnology

Calzolari A, Ferretti A, Nardelli MB.
PMID: 21730446
Nanotechnology. 2007 Oct 24;18(42):424013. doi: 10.1088/0957-4484/18/42/424013. Epub 2007 Sep 13.

Using first-principles calculations in the framework of density functional theory, we investigated the electronic and transport properties of metal(II)-phthalocyanine (M(II)Pc) systems, both in a single-molecule configuration and in a model device geometry. In particular, using copper(II)-Pc and manganese(II)-Pc as...

Note: Rigid holder to host and bend a crystal for multiple volume reflection of a particle beam.

The Review of scientific instruments

Carassiti V, Dalpiaz P, Guidi V, Mazzolari A, Melchiorri M.
PMID: 20590277
Rev Sci Instrum. 2010 Jun;81(6):066106. doi: 10.1063/1.3443320.

A holder to lodge and bend a silicon crystal to excite multivolume reflection of a high-energy particle beam has been designed and fabricated. A mechanically robust and stable structure fastens a crystal at best condition for experiments. The holder...

Observation of multiple volume reflection of ultrarelativistic protons by a sequence of several bent silicon crystals.

Physical review letters

Scandale W, Vomiero A, Baricordi S, Dalpiaz P, Fiorini M, Guidi V, Mazzolari A, Della Mea G, Milan R, Ambrosi G, Zuccon P, Bertucci B, Burger W, Duranti M, Cavoto G, Santacesaria R, Valente P, Luci C, Iacoangeli F, Vallazza E, Afonin AG, Chesnokov YA, Kotov VI, Maisheev VA, Yazynin IA, Kovalenko AD, Taratin AM, Denisov AS, Gavrikov YA, Ivanov YM, Lapina LP, Malyarenko LG, Skorogobogatov VV, Suvorov VM, Vavilov SA, Bolognini D, Hasan S, Mozzanica A, Prest M.
PMID: 19257744
Phys Rev Lett. 2009 Feb 27;102(8):084801. doi: 10.1103/PhysRevLett.102.084801. Epub 2009 Feb 23.

The interactions of 400 GeV protons with different sequences of bent silicon crystals have been investigated at the H8 beam line of the CERN Super Proton Synchrotron. The multiple volume reflection of the proton beam has been studied in...

Transferrin receptor 2 is frequently and highly expressed in glioblastomas.

Translational oncology

Calzolari A, Larocca LM, Deaglio S, Finisguerra V, Boe A, Raggi C, Ricci-Vitani L, Pierconti F, Malavasi F, De Maria R, Testa U, Pallini R.
PMID: 20360937
Transl Oncol. 2010 Apr;3(2):123-34. doi: 10.1593/tlo.09274.

Under physiological conditions, transferrin receptor 2 (TfR2) is expressed in the liver and its balance is related to the cell cycle rather than to intracellular iron levels. We recently showed that TfR2 is highly expressed in glioblastoma cell lines....

Anchor group versus conjugation: toward the gap-state engineering of functionalized ZnO(1010) surface for optoelectronic applications.

Journal of the American Chemical Society

Calzolari A, Ruini A, Catellani A.
PMID: 21443210
J Am Chem Soc. 2011 Apr 20;133(15):5893-9. doi: 10.1021/ja1101008. Epub 2011 Mar 28.

Molecular sensitization of the single-crystal ZnO (1010) surface through absorption of the catechol chromophore is investigated by means of density functional approaches. The resulting type II staggered interface is recovered in agreement with experiments, and its origin is traced...

Steering of a sub-GeV electron beam through planar channeling enhanced by rechanneling.

Physical review letters

Mazzolari A, Bagli E, Bandiera L, Guidi V, Backe H, Lauth W, Tikhomirov V, Berra A, Lietti D, Prest M, Vallazza E, De Salvador D.
PMID: 24745437
Phys Rev Lett. 2014 Apr 04;112(13):135503. doi: 10.1103/PhysRevLett.112.135503. Epub 2014 Apr 02.

We report the observation of efficient steering of a 855 MeV electron beam at MAMI (MAinzer MIkrotron) facilities by means of planar channeling and volume reflection in a bent silicon crystal. A 30.5  μm thick plate of (211) oriented...

Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach.

Scientific reports

Calzolari A, Nardelli MB.
PMID: 24141391
Sci Rep. 2013 Oct 21;3:2999. doi: 10.1038/srep02999.

Using first principles calculations based on density functional theory and a coupled finite-fields/finite-differences approach, we study the dielectric properties, phonon dispersions and Raman spectra of ZnO, a material whose internal polarization fields require special treatment to correctly reproduce the...

Surgical management of acute subdural hematoma: a comparison between decompressive craniectomy and craniotomy on patients treated from 2010 to the present in a single center.

Journal of neurosurgical sciences

Ruggeri AG, Cappelletti M, Tempestilli M, Fazzolari B, Delfini R.
PMID: 30259718
J Neurosurg Sci. 2018 Sep 25; doi: 10.23736/S0390-5616.18.04502-2. Epub 2018 Sep 25.

BACKGROUND: Acute subdural hematoma represents an important cause of disability and mortality. Its surgical treatment takes advantage of two surgical procedures: craniotomy and decompressive craniectomy, nevertheless the effectiveness of one procedure rather than the other is still debated. This...

Prediction of UGT-mediated Metabolism Using the Manually Curated MetaQSAR Database.

ACS medicinal chemistry letters

Mazzolari A, Afzal AM, Pedretti A, Testa B, Vistoli G, Bender A.
PMID: 30996809
ACS Med Chem Lett. 2019 Feb 12;10(4):633-638. doi: 10.1021/acsmedchemlett.8b00603. eCollection 2019 Apr 11.

Even though glucuronidations are the most frequent metabolic reactions of conjugation, both in quantitative and qualitative terms, they have rather seldom been investigated using computational approaches. To fill this gap, we have used the manually collected MetaQSAR metabolic reaction...

Showing 1 to 12 of 87 entries