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1. High-throughput search for triplet point defects with narrow emission lines in 2D materials

Author

Sajid, A., Nilsson, F., Manti, S., Bertoldo, F., Mortensen, J. J., and Thygesen, K. S.

Subjects
Condensed Matter - Materials Science
Abstract

We employ a first-principles computational workflow to screen for optically accessible, high-spin point defects in wide band gap two-dimensional (2D) crystals. Starting from an initial set of 5388 point defects, comprising both intrinsic and extrinsic, single and double defects in ten previously synthesised 2D host materials, we identify 596 defects with a triplet ground state. For these defects, we calculate the defect formation energy, the hyperfine (HF) coupling, and the zero-field splitting (ZFS) tensors. For 39 triplet transitions exhibiting particularly low Huang-Rhys factors, we calculate the full photo-luminescence (PL) spectrum. Our approach reveals many new spin defects with narrow PL line shapes and emission frequencies covering a broad spectral range. Most of the defects are hosted in hexagonal BN, which we ascribe to its high stiffness, but some are also found in MgI2, MoS2, MgBr2 and CaI2. As specific examples, we propose the defects vSMoS0 and NiSMoS0 in MoS2 as interesting candidates with potential applications to magnetic field sensors and quantum information technology. All the data will be made available in the open access database QPOD.

Published
2023

3. Bone health and body composition in prostate cancer: Meet-URO and AIOM consensus about prevention and management strategies

Author

Altavilla, Amelia, Atzori, Francesco, Banna, Giuseppe Luigi, Barni, Sandro, Basso, Umberto, Bauckneht, Matteo, Berardi, Rossana, Berruti, Alfredo, Bertoldo, Francesco, Bimbatti, Davide, Boccardo, Francesco, Buti, Sebastiano, Buttigliero, Consuelo, Caffo, Orazio, Calabrò, Fabio, Cattrini, Carlo, Cellini, Francesco, Conteduca, Vincenza, Cursano, Maria Concetta, De Feo, Giulia, De Giorgi, Ugo, Di Lorenzo, Giuseppe, Di Maio, Massimo, Di Napoli, Marilena, Ermacora, Paola, Fornarini, Giuseppe, Fratino, Lucia, Fusco, Vittorio, Gernone, Angela, Ibrahim, Toni, Lanzetta, Gaetano, Malgeri, Andrea, Maruzzo, Marco, Masini, Cristina, Messina, Carlo, Mosca, Alessandra, Naglieri, Emanuele, Nolè, Franco, Ortega, Cinzia, Palermo, Andrea, Pantano, Francesco, Prati, Veronica, Procopio, Giuseppe, Rescigno, Pasquale, Roberto, Michela, Rossetti, Sabrina, Roviello, Giandomenico, Santini, Daniele, Stellato, Marco, Tambaro, Rosa, Toma, Ilaria, Tucci, Marcello, Valsecchi, Anna Amela, Verzoni, Elena, Zanardi, Elisa, Zucali, Paolo Andrea, Cursano, M.C., Valsecchi, A.A., Pantano, F., Di Maio, M., Procopio, G., Berruti, A., Bertoldo, F., Tucci, M., De Giorgi, U., and Santini, D.

Published
2024
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4. Recent Progress of the Computational 2D Materials Database (C2DB)

Author

Gjerding, M. N., Taghizadeh, A., Rasmussen, A., Ali, S., Bertoldo, F., Deilmann, T., Holguin, U. P., Knøsgaard, N. R., Kruse, M., Manti, S., Pedersen, T. G., Skovhus, T., Svendsen, M. K., Mortensen, J. J., Olsen, T., and Thygesen, K. S.

Subjects
Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Computational Physics
Abstract

The C2DB is a highly curated open database organizing a wealth of computed properties for more than 4000 atomically thin two-dimensional (2D) materials. Here we report on new materials and properties that were added to the database since its first release in 2018. The set of new materials comprise several hundred monolayers exfoliated from experimentally known layered bulk materials, (homo)bilayers in various stacking configurations, native point defects in semiconducting monolayers, and chalcogen/halogen Janus monolayers. The new properties include exfoliation energies, Bader charges, spontaneous polarisations, Born charges, infrared polarisabilities, piezoelectric tensors, band topology invariants, exchange couplings, Raman- and second harmonic generation spectra. We also describe refinements of the employed material classification schemes, upgrades of the computational methodologies used for property evaluations, as well as significant enhancements of the data documentation and provenance. Finally, we explore the performance of Gaussian process-based regression for efficient prediction of mechanical and electronic materials properties. The combination of open access, detailed documentation, and extremely rich materials property data sets make the C2DB a unique resource that will advance the science of atomically thin materials., Comment: 30 pages, 26 figures

Published
2021
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23. LA GESTIONE ODONTOIATRICA DEL PAZIENTE CHE ASSUMERÀ O ASSUME FARMACI ONJ-RELATI

Author

Campisi G, Bedogni A, Fusco V, Bertoldo F, Di Fede O, Mauceri R, Panzarella V, Vescovi P, Campisi, G., Bedogni, A., Fusco, V., Campisi G, Bedogni A, Fusco V, Bertoldo F, Di Fede O, Mauceri R, Panzarella V, and Vescovi P

Subjects
osteonecrosi delle ossa mascellari, onj, bisfosfonati, prevenzione
Abstract

L’osteonecrosi delle ossa mascellari (ONJ) farmaco-relata è stata de- finita nel capitolo I come “una reazione avversa farmaco-correlata, caratterizzata dalla progressiva distruzione e necrosi dell’osso man- dibolare e/o mascellare di soggetti esposti al trattamento con farmaci per cui sia accertato un aumentato rischio di malattia, in assenza di un pregresso trattamento radiante”1. Tale definizione sottolinea la consapevolezza di uno stato di allerta e di vigilanza sui fattori di ri- schio associati alla patologia, con la possibile progressiva inclusione di nuove popolazioni di soggetti potenzialmente a rischio, e in linea con la continua evoluzione delle conoscenze scientifiche in materia di eziopatogenesi di ONJ farmaco-relata2,3.

Published
2020

30. Definition of a population-specific DXA reference standard in Italian women: the Densitometric Italian Normative Study (DINS)

Author

Pedrazzoni, M., Girasole, G., Bertoldo, F., Bianchi, G., Cepollaro, C., Del Puente, A., Giannini, S., Gonnelli, S., Maggio, D., Marcocci, C., Minisola, S., Palummeri, E., Rossini, M., Sartori, L., and Sinigaglia, L.

Subjects
Bone densitometry -- Usage, Italians -- Health aspects, Osteoporosis -- Diagnosis, Bones -- Density, Bones -- Measurement, Health
Abstract

Byline: M. Pedrazzoni (1), G. Girasole (2), F. Bertoldo (3), G. Bianchi (2), C. Cepollaro (4), A. Del Puente (5), S. Giannini (6), S. Gonnelli (4), D. Maggio (7), C. Marcocci (8), S. Minisola (9), E. Palummeri (10), M. Rossini (11), L. Sartori (6), L. Sinigaglia (12) Keywords: Bone densitometry; Diagnosis; DXA; Osteoporosis; Reference values Abstract: Osteoporosis is currently defined on the basis of the T-score by dual-energy X-ray absorptiometry (DXA). Despite its limitations, this definition is applied worldwide. However, the normal values provided by manufacturers may not be fully representative of specific local populations. So far, there are no normative data in the Italian population using Hologic densitometers. The Densitometric Italian Normative Study (DINS) is an ongoing multi-center study that aims to establish reference values for bone densitometry with dual-energy X-ray absorptiometry (DXA) in the male and female Italian population. In this paper we report the results of the lumbar vertebrae (L2--L4) and proximal femur in 1,622 women aged 20--79 years. Bone mineral density (BMD) was determined using dual-energy X-ray absorptiometry (DXA) on Hologic bone densitometers (Hologic, Waltham, Mass.). Most of the subjects were examined with a QDR 4500. The BMD of the lumbar vertebrae was virtually constant between 20 and 49 years (test for trend: P=0.66) the BMD values between 20--45 in premenopausal women (mean 1.036 SD 0.109 g/cm.sup.2) were thus defined as the peak bone mass values, significantly lower compared to the Hologic reference curve (mean 1.079, SD 0.11 g/cm.sup.2). The mean BMD values of the femoral neck were virtually identical to those of the NHANES study in the first 3 decades after the age of 50 the BMD values were slightly greater than those of the NHANES subject. The subject classification according to the WHO criteria was similar using the DINS and NHANES reference values for the femur for the spine, the Hologic reference values classified a larger proportion of women as osteoporotic (21 vs. 16%) or osteopenic (42 vs. 38%) compared to DINS. Author Affiliation: (1) Dipartimento di Medicina Interna e Scienze Biomediche, Universita di Parma, Via Gramsci 14, 43100 , Parma, Italy (2) Divisione di Reumatologia, Dipartimento Apparato Locomotore, ASL 3 Genovese, Genova, Italy (3) Dipartimento di Scienze Biomediche e Chirurgiche, Universita di Verona, Verona, Italy (4) Dipartimento di Medicina Interna, Scienze Endocrino-Metaboliche e Biochimica, Universita di Siena, Siena, Italy (5) Reumatologia, Universita 'Federico II', Napoli, Italy (6) Dipartimento di Scienze Mediche e Chirurgiche, Universita di Padova, Padova, Italy (7) Gerontologia e Geriatria, Universita di Perugia, Perugia, Italy (8) Dipartimento di Endocrinologia e Metabolismo, Universita di Pisa, Pisa, Italy (9) Dipartimento di Scienze Cliniche, Universita di Roma 'La Sapienza', Roma, Italy (10) Dipartimento Interaziendale di Geriatria, ASL 3--Ospedali Galliera, Genova, Italy (11) Centro Osteoporosi, Universita-ASL di Verona, Verona, Italy (12) Servizio Malattie Osteometaboliche, Dipartimento di Reumatologia, Istituto G. Pini, Milano, Italy Article History: Received Date: 14/02/2003 Accepted Date: 05/09/2003 Online Date: 03/10/2003

Published
2003

31. Vitamin D and disease severity in coronavirus disease 19 (COVID-19)

Author

Adami, G., primary, Giollo, A., additional, Fassio, A., additional, Benini, C., additional, Bertoldo, E., additional, Bertoldo, F., additional, Orsolini, G., additional, Idolazzi, L., additional, Viapiana, O., additional, Giannini, S., additional, Passeri, G., additional, Tacconelli, E., additional, Micheletto, C., additional, Gatti, D., additional, and Rossini, M., additional

Published
2021
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39. Red Blood Cells Distribution Width as Biomarker of Worsening in Atherosclerosis

Author

Piano, C., Carmela Rita Balistreri, Nardi, P., Bertoldo, F., Pellegrino, A., Massoud, R., Ruvolo, G., Piano, C., Balistreri, C.R., Nardi,P., Bertoldo,F., Pellegrino,A., Massoud, R., and Ruvolo, G.

Subjects
red cell distribution width, cardiovascular disease, cardiovascular disease, red cell distribution width, RDW, CVD, Atherosclerosis, Settore MED/23 - Chirurgia Cardiaca
Abstract

Red blood cell Distribution Width (RDW) is a parameter of the circulating erythrocytes’ size that it has reported to be associated with Cardiovascular Diseases (CVDs) [1-7]. The related mechanism of this association is not fully understood. However, RDW is an indicator of inflammation related to early inflammatory biomarkers, such as C-reactive protein (CRP), interleukin-6 (IL-6) and tumor necrosis factor-α (TNF-α) [8,9]. Accordingly, systemic chronic inflammation leads to dysfunctional bone marrow with unsuccessful production of red blood cells [10]. As a result, it determines the migration of reticulocytes into the peripheral circulation, followed by an increase in circulating levels of immature Red Blood Cells (RBCs), as well as in higher RDW levels

Published
2018

41. Genotypic categorization of loeys-dietz syndrome based on 24 novel families and literature data

Author

Camerota, L., Ritelli, M., Wischmeijer, A., Majore, S., Cinquina, V., Fortugno, P., Monetta, R., Gigante, L., Sangiuolo, F. C., Novelli, G., Colombi, M., Brancati, F., Ruvolo, G., Bertoldo, F., Donzelli, C., Polisca, P., Salehi, L. B., Mancino, R., di Carlo, E., Bollero, P., Cozza, P., Lagana, G., Farsetti, P., de Maio, F., de Luna, V., Mancini, F., Chini, L., Graziani, S., Floris, R., Sperandio, M., Infante, A., de Stefano, A., Chiariello, L., and Grego, S.

Subjects
0301 basic medicine, Adult, Connective Tissue Disorder, Adolescent, lcsh:QH426-470, Receptor, Transforming Growth Factor-beta Type I, 030105 genetics & heredity, Bioinformatics, Loeys–Dietz syndrome, Article, 03 medical and health sciences, Transforming Growth Factor beta2, tgfbr1, TGFB3, Genotype, Genetics, Arterial aneurysms, Ehlers-Danlos syndrome, Hereditary connective tissue disorders, Loeys-Dietz syndrome, SMAD2, SMAD3, TGFB2, TGFBR1, TGFBR2, ehlers-danlos syndrome, arterial aneurysms, Medicine, Humans, loeys-dietz syndrome, smad3, smad2, Smad3 Protein, Craniofacial, Child, tgfbr2, Genetics (clinical), business.industry, Genetic heterogeneity, Receptor, Transforming Growth Factor-beta Type II, Infant, Middle Aged, medicine.disease, Penetrance, Pedigree, lcsh:Genetics, 030104 developmental biology, Settore MED/03 - Genetica Medica, Ehlers–Danlos syndrome, Child, Preschool, tgfb3, hereditary connective tissue disorders, Age of onset, tgfb2, business
Abstract

Loeys-Dietz syndrome (LDS) is a connective tissue disorder first described in 2005 featuring aortic/arterial aneurysms, dissections, and tortuosity associated with craniofacial, osteoarticular, musculoskeletal, and cutaneous manifestations. Heterozygous mutations in 6 genes (TGFBR1/2, TGFB2/3, SMAD2/3), encoding components of the TGF-&beta, pathway, cause LDS. Such genetic heterogeneity mirrors broad phenotypic variability with significant differences, especially in terms of the age of onset, penetrance, and severity of life-threatening vascular manifestations and multiorgan involvement, indicating the need to obtain genotype-to-phenotype correlations for personalized management and counseling. Herein, we report on a cohort of 34 LDS patients from 24 families all receiving a molecular diagnosis. Fifteen variants were novel, affecting the TGFBR1 (6), TGFBR2 (6), SMAD3 (2), and TGFB2 (1) genes. Clinical features were scored for each distinct gene and matched with literature data to strengthen genotype-phenotype correlations such as more severe vascular manifestations in TGFBR1/2-related LDS. Additional features included spontaneous pneumothorax in SMAD3-related LDS and cervical spine instability in TGFB2-related LDS. Our study broadens the clinical and molecular spectrum of LDS and indicates that a phenotypic continuum emerges as more patients are described, although genotype-phenotype correlations may still contribute to clinical management.

Published
2019

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