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Showing 1 to 12 of 30 entries
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Efficient analysis of highly complex nuclear magnetic resonance spectra of flexible solutes in ordered liquids by using molecular dynamics.

The Journal of chemical physics

Weber AC, Pizzirusso A, Muccioli L, Zannoni C, Meerts WL, de Lange CA, Burnell EE.
PMID: 22583248
J Chem Phys. 2012 May 07;136(17):174506. doi: 10.1063/1.4705271.

The NMR spectra of n-pentane as solute in the liquid crystal 5CB are measured at several temperatures in the nematic phase. Atomistic molecular dynamics simulations of this system are carried out to predict the dipolar couplings of the orientationally...

Physicochemical characterization of acrylamide/bisacrylamide hydrogels and their application for the conservation of easel paintings.

Langmuir : the ACS journal of surfaces and colloids

Pizzorusso G, Fratini E, Eiblmeier J, Giorgi R, Chelazzi D, Chevalier A, Baglioni P.
PMID: 22272976
Langmuir. 2012 Feb 28;28(8):3952-61. doi: 10.1021/la2044619. Epub 2012 Feb 16.

Acrylamide chemical gels have been synthesized to obtain systems with mechanic and hydrophilic properties suitable for the cleaning of works of art. The gel characteristics were tailored by changing the polymer percentage present in the final hydrogel formulation from...

Order and conformation of biphenyl in cyanobiphenyl liquid crystals: a combined atomistic molecular dynamics and 1H NMR study.

Chemphyschem : a European journal of chemical physics and physical chemistry

Pizzirusso A, Di Pietro ME, De Luca G, Celebre G, Longeri M, Muccioli L, Zannoni C.
PMID: 24692106
Chemphyschem. 2014 May 19;15(7):1356-67. doi: 10.1002/cphc.201400082. Epub 2014 Apr 01.

The alignment of biphenyl (2P) in the liquid-crystal phases of 4-n-pentyl-4'-cyanobiphenyl (5CB) and 4-n-octyl-4'-cyanobiphenyl (8CB) is investigated by using a combination of predictive atomistic molecular dynamics (MD) simulations and (1)H liquid-crystal nuclear magnetic resonance (LXNMR) residual dipolar coupling measurements....

Molecular Insights into the Eutectic Tripalmitin/Tristearin Binary System.

Journal of the American Chemical Society

Pizzirusso A, Peyronel F, Co ED, Marangoni AG, Milano G.
PMID: 30178998
J Am Chem Soc. 2018 Oct 03;140(39):12405-12414. doi: 10.1021/jacs.8b04729. Epub 2018 Sep 19.

A molecular interpretation of the eutectic behavior of a binary mixture of tristearin (SSS) and tripalmitin (PPP) triglycerides was formulated using computer simulations and experimental techniques (calorimetry and X-ray scattering). A eutectic composition was identified using both experimental and...

Efficient Hybrid Particle-Field Coarse-Grained Model of Polymer Filler Interactions: Multiscale Hierarchical Structure of Carbon Black Particles in Contact with Polyethylene.

Journal of chemical theory and computation

Caputo S, Hristov V, Nicola A, Herbst H, Pizzirusso A, Donati G, Munaò G, Albunia AR, Milano G.
PMID: 33577311
J Chem Theory Comput. 2021 Mar 09;17(3):1755-1770. doi: 10.1021/acs.jctc.0c01095. Epub 2021 Feb 12.

In the present study, we propose, validate, and give first applications for large-scale systems of coarse-grained models suitable for filler/polymer interfaces based on carbon black (CB) and polyethylene (PE). The computational efficiency of the proposed approach, based on hybrid...

Combining Optogenetic Stimulation and Motor Training Improves Functional Recovery and Perilesional Cortical Activity.

Neurorehabilitation and neural repair

Conti E, Scaglione A, de Vito G, Calugi F, Pasquini M, Pizzorusso T, Micera S, Allegra Mascaro AL, Pavone FS.
PMID: 34761714
Neurorehabil Neural Repair. 2021 Nov 11;15459683211056656. doi: 10.1177/15459683211056656. Epub 2021 Nov 11.

No abstract available.

Impaired spike-gamma coupling of area CA3 fast-spiking interneurons as the earliest functional impairment in the App.

Molecular psychiatry

Arroyo-García LE, Isla AG, Andrade-Talavera Y, Balleza-Tapia H, Loera-Valencia R, Alvarez-Jimenez L, Pizzirusso G, Tambaro S, Nilsson P, Fisahn A.
PMID: 34385602
Mol Psychiatry. 2021 Oct;26(10):5557-5567. doi: 10.1038/s41380-021-01257-0. Epub 2021 Aug 12.

In Alzheimer's disease (AD) the accumulation of amyloid-β (Aβ) correlates with degradation of cognition-relevant gamma oscillations. The gamma rhythm relies on proper neuronal spike-gamma coupling, specifically of fast-spiking interneurons (FSN). Here we tested the hypothesis that decrease in gamma...

Molecular mechanisms at the basis of plasticity in the developing visual cortex: epigenetic processes and gene programs.

Journal of experimental neuroscience

Maya-Vetencourt JF, Pizzorusso T.
PMID: 25157210
J Exp Neurosci. 2013 Oct 09;7:75-83. doi: 10.4137/JEN.S12958. eCollection 2013.

Neuronal circuitries in the mammalian visual system change as a function of experience. Sensory experience modifies neuronal networks connectivity via the activation of different physiological processes such as excitatory/inhibitory synaptic transmission, neurotrophins, and signaling of extracellular matrix molecules. Long-lasting...

Biomembrane solubilization mechanism by Triton X-100: a computational study of the three stage model.

Physical chemistry chemical physics : PCCP

Pizzirusso A, De Nicola A, Sevink GJA, Correa A, Cascella M, Kawakatsu T, Rocco M, Zhao Y, Celino M, Milano G.
PMID: 28956043
Phys Chem Chem Phys. 2017 Nov 15;19(44):29780-29794. doi: 10.1039/c7cp03871b.

The solubilization mechanism of lipid membranes in the presence of Triton X-100 (TX-100) is investigated at molecular resolution using molecular dynamics (MD) simulations. Thanks to the large time and length scales accessible by the hybrid particle-field formulation of the...

Communication: molecular dynamics and (1)H NMR of n-hexane in liquid crystals.

The Journal of chemical physics

Weber AC, Burnell EE, Meerts WL, de Lange CA, Dong RY, Muccioli L, Pizzirusso A, Zannoni C, Cazares V.
PMID: 26156458
J Chem Phys. 2015 Jul 07;143(1):011103. doi: 10.1063/1.4923253.

The NMR spectrum of n-hexane orientationally ordered in the nematic liquid crystal ZLI-1132 is analysed using covariance matrix adaptation evolution strategy (CMA-ES). The spectrum contains over 150 000 transitions, with many sharp features appearing above a broad, underlying background...

The gut microbiota of environmentally enriched mice regulates visual cortical plasticity.

Cell reports

Lupori L, Cornuti S, Mazziotti R, Borghi E, Ottaviano E, Cas MD, Sagona G, Pizzorusso T, Tognini P.
PMID: 35021093
Cell Rep. 2022 Jan 11;38(2):110212. doi: 10.1016/j.celrep.2021.110212.

Exposing animals to an enriched environment (EE) has dramatic effects on brain structure, function, and plasticity. The poorly known "EE-derived signals'' mediating the EE effects are thought to be generated within the central nervous system. Here, we shift the...

Chondroitin 6-sulphate is required for neuroplasticity and memory in ageing.

Molecular psychiatry

Yang S, Gigout S, Molinaro A, Naito-Matsui Y, Hilton S, Foscarin S, Nieuwenhuis B, Tan CL, Verhaagen J, Pizzorusso T, Saksida LM, Bussey TM, Kitagawa H, Kwok JCF, Fawcett JW.
PMID: 34272488
Mol Psychiatry. 2021 Jul 16; doi: 10.1038/s41380-021-01208-9. Epub 2021 Jul 16.

Perineuronal nets (PNNs) are chondroitin sulphate proteoglycan-containing structures on the neuronal surface that have been implicated in the control of neuroplasticity and memory. Age-related reduction of chondroitin 6-sulphates (C6S) leads to PNNs becoming more inhibitory. Here, we investigated whether...

Showing 1 to 12 of 30 entries