Scientific Publications

Small molecule anion transporters display in vitro antimicrobial activity against clinically relevant bacterial strains
Carreira-Barral I., Rumbo C., Mielczarek M., Alonso-Carrillo D., Herran E., Pastor M., Del Pozo A., Garcıa-Valverde M., Quesada R.
Chemical Communications | DOI: 10.1039/c9cc04304g

Database of novel magnetic materials for high-performance permanent magnet development
Nieves P., Arapan S., Maudes-Raedo J., Marticorena-Sánchez R., Del Brío N.L., Kovacs A., Echevarria-Bonet C., Salazar D., Weischenberg J., Zhang H., Vekilova O.Yu., Serrano-López R., Barandiaran J.M., Skokov K., Gutfleisch O., Eriksson O., Herper H.C., Schrefl T., Cuesta-López S.
Computational Materials Science, 188-202 | DOI: 10.1016/j.commatsci.2019.06.007

Insights into Carbon Nanotubes and Fullerenes in Molten Alkali Carbonates
Gutiérrez A., Garroni S., Souentie S., Cuesta S., Yakoumis I., Aparicio S.
The Journal of Physical Chemistry C, 123, 15, 9909-9918 | DOI: 10.1021/acs.jpcc.9b00855

Aspergillus niger citrate exporter revealed by comparison of two alternative citrate producing conditions
I Odoni D., Vázquez-Vilar M., P van Gaal M., Schonewille T., AP Martins dos Santos V., Tamayo J.A., Suarez M., J Schaap P.
FEMS Microbiology Letters, 7 | DOI: 10.1093/femsle/fnz071

Application of AHP and corrective factors for the determination of best available techniques and emission limit values at installation level: A case study in four cement installations
Giner G., Vázquez V., Rodríguez-Lepe G.
Science of the Total Environment, 834-840 | DOI: 10.1016/j.scitotenv.2018.12.473

Theoretical Study on Molten Alkali Carbonate Interfaces
Gutiérrez A., Garroni S., Souentie ., Cuesta S., Yakoumis I., Aparicio S.
Langmuir | DOI: 10.1021/acs.langmuir.8b02907

Kinetics and hydrogen storage performance of Li-Mg-N-H systems doped with Al and AlCl₃
Senes N., Fernandez L., Garroni S., Santoru A., Pistidda C., Mulas G., Enzo S., Gennari F.
Journal of Alloys and Compounds, 765, 635-643 | DOI: 10.1016/j.jallcom.2018.06.262

Landau-Lifshitz-Bloch Approach for Magnetization Dynamics Close to Phase Transition
Chubykalo-Fesenko O., Nieves Cordones P.
Handbook of Materials Modeling, 1-28 | DOI: 10.1007/978-3-319-42913-7_72-1

Forward Genetics by Genome Sequencing Uncovers the Central Role of the Aspergillus niger goxB Locus in Hydrogen Peroxide Induced Glucose Oxidase Expression
Laothanachareon T., Tamayo-Ramos J.A., Nijsse B., Schaap P.J.
Frontiers in Microbiology, 9, 2269 | DOI: 10.3389/fmicb.2018.02269

Analysis of polycaprolactone microfibers as biofilm carriers for biotechnologically-relevant bacteria
Tamayo-Ramos J.A., Rumbo C., Caso F., Rinaldi A., Garroni S., Notargiacomo A., Romero-Santacreu L., Cuesta-López S.
ACS Applied Materials & Interfaces | DOI: 10.1021/acsami.8b07245

Novel processing route for the fabrication of bulk high-entropy metal diborides
Tallarita G., Licheri R., Garroni S., Orrù R., Cao G.
Scripta Materialia, 158, 100-104 | DOI: 10.1016/j.scriptamat.2018.08.039

Theoretical study of the performance of refractory materials for extreme conditions applications
Pecoraro C., Cuesta-López S.
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 432, 24-28 | DOI: 10.1016/j.nimb.2018.07.010

Solid State Hydrogen Storage in Alanates and Alanate-Based Compounds: A Review
Milanese C., Garroni S., Gennari F., Marini A., Klassen T., Dornheim M., Pistidda C. 
Metals, 8 (8), 567 | DOI: 10.3390/met8080567

Improving the Mesoscopic Modeling of DNA Denaturation Dynamics
Marty-Roda M., Dahlen O., Van Erp T.S., Cuesta-López S.
Physical Biology | DOI: 10.1088/1478-3975/aac61c

Possible alternatives to critical elements in coatings for extreme applications
Grilli M.L., Valerini D., Piticescu R.R., Bellezze T., Yilmaz M., Rinaldi A., Cuesta-Lopez S., Rizzo A.
IOP Science | DOI: 10.1088/1757-899X/329/1/012005

Influence of three commercial graphene derivatives on the catalytic properties of a Lactobacillus plantarum alpha-L-rhamnosidase when used as immobilization matrices
Antón-Millán N., García-Tojal J., Marty-Roda M., Garroni S., Cuesta-López S., Tamayo J.A.
ACS Applied Materials & Interfaces | DOI: 10.1021/acsami.7b18844

Recent Progress and New Perspectives on Metal Amide and Imide Systems for Solid-State Hydrogen Storage
Garroni S., Santoru A., Cao H., Dornheim M., Klassen T., Milanese C., Gennari F., Pistidda C.
Energies, 11 (5), 1027 | DOI: 10.3390/en11051027

Bentonite as a refining agent in waste cooking oils recycling: Flash point, density and color evaluation
Mannu A., Vlahopoulou G., Sireus V., Petretto G.L., Mulasa G., Garroni S.
Natural Product Communications, 13 (5), 613-616

Colonization of electrospun polycaprolactone fibers by pathogenic relevant bacterial strains
Rumbo Lorenzo C., Tamayo J.A., Caso F., Rinaldi A., Romero Santacreu L., Cuesta-López S.
ACS Applied Materials & Interfaces, 10 (14), 11467-11473 | DOI: 10.1021/acsami.7b19440

Insights into the Rb−Mg−N−H System: an Ordered Mixed Amide/Imide Phase and a Disordered Amide/Hydride Solid Solution
Santoru A., Pistidda C., Brighi M., Chierotti M.R., Heere M., Karimi F., Cao H., Capurso G., Chaudhary A.L., Gizer G., Garroni S., Sørby M.H., Hauback B.C., Černý R., Klassen T., Dornheim M. 
Inorganic Chemistry, 57 (6), 3197–3205 | DOI: 10.1021/acs.inorgchem.7b03232

A high-throughput exploration of magnetic materials by using structure predicting methods
Arapan S., Nieves P., Cuesta-López S.
Journal of Applied Physics, 123 (8), 083904 | DOI:10.1063/1.5004979

Local Piezoelectric Behavior of Potassium Sodium Niobate Prepared by a Facile Synthesis via Water Soluble Precursors
Senes N., Iacomini A., Domingo N., Enzo S., Mulas G., Cuesta-López S., Garroni S.
Phyisica Status Solidi A, 215 (16) 1700921 | DOI:10.1002/pssa.201700921

The Melting Transition of Oriented DNA Fibers Submerged in Polyethylene Glycol Solutions Studied by Neutron Scattering and Calorimetry
González A., Wildes A.R., Marty-Roda M., Cuesta-López S., Mossou E., Studer A., Demé B., Moiroux G., Garden J.L., Theodorakopoulos N., Peyrard M.
The Journal of Physical Chemistry B, 122 (9), 2504-2515 | DOI: 10.1021/acs.jpcb.7b11608

Ball Milling of Silica-Based Pyroclastic Scoriae: Measurement of Mechanochemical Reactivity by Radical Scavenging
Cocco O., Garroni S., Enzo S., Pia G., Meloni P., Delogu L.
The Journal of Physical Chemistry C, 122 (5), 2773–2782 | DOI: 10.1021/acs.jpcc.7b11261

Remarkable hydrogen storage properties of MgH₂ doped with VNbO₅
Valentoni A., Mulas G., Enzo S., Garroni S.
Physical Chemistry Chemical Physics, 20 (6), 4100-4108 | DOI: 10.1039/C7CP07157D

Non-monotonic variation of the grain size in Cu nanopowders subjected to ball milling
Lasio B., Pia G., Garroni S., Orrù R., Takacs L., Delogu L.
Materials Letters, 212, 171-173 | DOI: 10.1016/j.matlet.2017.10.077

Advanced Synthesis on Lead-Free K_xNa_(1-x)NbO₃ Piezoceramics for Medical Imaging Applications
Garroni S., Senes N., Iacomini A., Enzo S., Mulas G., Pardo L., Cuesta-López S.
Phyisica Status Solidi A, 215 (16), 1700896 | DOI: 10.1002/pssa.201700896

Atomistic spin dynamics simulations of the MnAl τ -phase and its antiphase boundary
Nieves P., Arapan S., Schrelf T,. Cuesta-López S.
Physical Review B, 96 (22), 224411 | DOI: 10.1103/PhysRevB.96.224411

Variation of density and flash point in acid degummed waste cooking oil
Vlahopoulou G., Petretto G.L., Garroni S., Piga C., Mannu A.
Journal of Food Processing and Preservation, 42 (3) | DOI: 10.1111/jfpp.13533

Exploring the crystal structure space of CoFe₂P by using Adaptive Genetic Algorithm methods
Nieves P., Arapan S., Cuesta-López S.
IEEE Transactions on Magnetics, 53 (11) | DOI: 10.1109/TMAG.2017.2727880

Tetrahydroborates: Development and Potential as Hydrogen Storage Medium
Puszkiel J., Garroni S., Milanese C., Gennari F., Klassen T., Dornheim M., Pistidda C.
Inorganics, 5 (4), 74 | DOI: 10.3390/inorganics5040074

Mesoscale organization of titania thin films enables oxygen sensing at room temperature
Rassu P., Malfatti L., Carboni D., Casula M.F., Garroni S., Zampetti E., Macagnano A., Bearzotti A., Innocenzi P.
Journal of Materials Chemistry C, 5, 11815-11823 | DOI: 10.1039/C7TC03397D

Role of interface in multilayered composites under irradiation: A mathematical investigation
Ortún-Palacios J., Locci A.M., Fadda S., Delogu F., Cuesta-López S.
Advances in Materials Science and Engineering, 2017, 16 | DOI: 10.1155/2017/1079735

A comprehensive study on compositional and structural changes in 45S5 bioglass products exposed to simulated body fluid
Montinaro S., Desogus L., Orrù R., Garroni S., Delogu F., Ricci P.C., Cao G.
Journal of the American Ceramic Society, 101 (1), 116-130 | DOI: 10.1111/jace.15199

An Adaptive Genetic Algorithm approach for predicting magnetic structure suitable for high-performance permanent magnet development
Nieves P., Arapan S., Cuesta-López S.
IEEE Transactions on Magnetics | DOI: 10.1109/INTMAG.2017.8007671

A Mechanochemical-Assisted Oxidation of Amines to Carbonyl Compounds and Nitriles
Gaspa S., Porcheddu A., Valentoni A., Garroni S., Enzo S., De Luca L.
European Journal of Organic Chemistry, 2017 (37), 5519–5526 | DOI: 10.1002/ejoc.201700689

Magnetization switching of FePt nanoparticle recording medium by femtosecond laser pulses 
John R., Berritta M., Hinzke D., Müller C., Santos T., Ulrichs H., Nieves P., Walowski J., Mondal R., Chubykalo-Fesenko O., McCord J., Oppeneer P.M., Nowak U., Münzenberg M.
Scientific Reports, 7 (1), 4114 | DOI:10.1038/s41598-017-04167-w

Effects of stoichiometry on the H2 storage properties of Mg(NH2)2- LiH-LiBH4 tri-component system
Wang H., Cao H., Pistidda C., Garroni S., Wu G., Klassen T., Dornheim M., Chen P.
Chemistry - An Asian Journal, 12 (14), 1758-1764 | DOI: 10.1002/asia.201700287

Mechanically activated metathesis reaction in NaNH2–MgH2 powder mixtures
Garroni S., Delogu F., Bonatto Minella C., Pistidda C., Cuesta-López S.
Journal of Materials Science, 52 (20): 11891-11899 | DOI: 10.1007/s10853-017-1220-5

Structure and function of Aspergillus niger laccase McoG
Ferraroni M., Westphal A.H., Borsari M., Tamayo-Ramos J.A., Briganti F., de Graaff L.H., van Berkel W.J.H.
Biocatalysis, 3 (1), 1-21 | DOI: 10.1515/boca-20170001

Applying high-throughput computational tecniques for discovering next generation of permanent magnets
Nieves P., Arapan S., Hadjipanayis C., Niarchos D., Barandiaran J.M., Cuesta-López S. (2016)
Phys. Status Solidi C, 13 (10-20): 942 - 950 | DOI: 10.1002/pssc.201600103

Self-consistent description of spin-phonon dynamics in ferromagnets
Nieves P., Serantes D., Chubykalo-Fesenko O. (2016)
Physical Review B, 94 (1), 014409 | DOI: 10.1103/PhysRevB.94.014409

SUPERMAT – A virtual center for sustainable development of advanced materials operating under extreme conditions
Piticescu R.R., Cuesta-López S., Rinaldi A., Urbina M., Qin Y., Szakalos P., Largeteau  A. (2016) 
Phys. Status Solidi C, 13 (10-12): 1023-1027 | DOI: 10.1002/pssc.201600132

Thermal denaturation of A-DNA
Valle-Orero J., Wildes A.R., Theodorakopoulos N., Cuesta-López S., Garden J.L., Danilkin S., Peyrard M. (2014)
New Journal of Physics, 16, 113017 | DOI: 10.1088/1367-2630/16/11/113017