High performance astrophysics computing

The application of high end computing to astrophysical problems, mainly in the galactic environment, is under development since many years at the Dep. of Physics of Sapienza Univ. of Roma. The main scientific topic is the physics of self gravitating systems, whose specific subtopics are: i) celestial mechanics and interplanetary probe transfers in the solar system; ii) dynamics of globular clusters and of globular cluster systems in their parent galaxies; iii) nuclear clusters formation and evolution; iv) massive black hole formation and evolution; v) young star cluster early evolution. In this poster we describe the software and hardware computational resources available in our group and how we are developing both software and hardware to reach the scientific aims above itemized.Comment: 2 pages paper presented at the Conference "Advances in Computational Astrophysics: methods, tools and outcomes", to be published in the ASP Conference Series, 2012, vol. 453, R. Capuzzo-Dolcetta, M. Limongi and A. Tornambe' ed

Zinc(II)-methimazole complexes: synthesis and reactivity

The tetrahedral S-coordinated complex [Zn(MeImHS)(4)](ClO4)(2), synthesised from the reaction of [Zn(ClO4)(2)] with methimazole (1-methyl-3H-imidazole-2-thione, MeImHS), reacts with triethylamine to yield the homoleptic complex [Zn(MeImS)(2)] (MeImS = anion methimazole). ESI-MS and MAS C-13-NMR experiments supported MeImS acting as a (N, S)-chelating ligand. The DFT-optimised structure of [Zn(MeImS)(2)] is also reported and the main bond lengths compared to those of related Zn-methimazole complexes. The complex [Zn(MeImS)(2)] reacts under mild conditions with methyl iodide and separates the novel complex [Zn(MeImSMe)(2)I-2] (MeImSMe = S-methylmethimazole). X-ray diffraction analysis of the complex shows a ZnI2N2 core, with the methyl thioethers uncoordinated to zinc. Conversely, the reaction of [Zn( MeImS)(2)] with hydroiodic acid led to the formation of the complex [Zn(MeImHS)(2)I-2] having a ZnI2S2 core with the neutral methimazole units S-coordinating the metal centre. The Zn-coordinated methimazole can markedly modify the coordination environment when changing from its thione to thionate form and vice versa. The study of the interaction of the drug methimazole with the complex [Zn(MeIm)(4)](2+) (MeIm = 1-methylimidazole) - as a model for Zn-enzymes containing a N-4 donor set from histidine residues shows that methimazole displaces only one of the coordinated MeIm molecules; the formation constant of the mixed complex [Zn(MeIm)(3)(MeImHS)](2+) was determined

A mechanism-based operational definition and classification of hypercholesterolemia

In contrast to strong evidence-based clinical recommendations for lipid-lowering treatment, there is no analogous definitive diagnostic definition of hypercholesterolemia and its various subtypes. For many clinicians, guideline indications for hypolipidemic treatment can become broadly conflated with hypercholesterolemia in a non-specific sense. In this statement, we propose a unified definition and mechanism-based classification of hypercholesterolemia, which in turn should help to stratify patients and guide efficient diagnosis without interfering with the current strategies of ASCVD risk reduction

The origin of the first neutron star -- neutron star merger

The first neutron star-neutron star (NS-NS) merger was discovered on August 17, 2017 through gravitational waves (GW170817) and followed with electromagnetic observations. This merger was detected in an old elliptical galaxy with no recent star formation. We perform a suite of numerical calculations to understand the formation mechanism of this merger. We probe three leading formation mechanisms of double compact objects: classical isolated binary star evolution, dynamical evolution in globular clusters and nuclear cluster formation to test whether they are likely to produce NS-NS mergers in old host galaxies. Our simulations with optimistic assumptions show current NS-NS merger rates at the level of 10^-2 yr^-1 from binary stars, 5 x 10^-5 yr^-1 from globular clusters and 10^-5 yr^-1 from nuclear clusters for all local elliptical galaxies (within 100 Mpc^3). These models are thus in tension with the detection of GW170817 with an observed rate 1.5 yr^-1 (per 100 Mpc^3; LIGO/Virgo estimate). Our results imply that either (i) the detection of GW170817 by LIGO/Virgo at their current sensitivity in an elliptical galaxy is a statistical coincidence; or that (ii) physics in at least one of our three models is incomplete in the context of the evolution of stars that can form NS-NS mergers; or that (iii) another very efficient (unknown) formation channel with a long delay time between star formation and merger is at play.Comment: A&A: accepte

Pemantauan Penerimaan Dosis Eksterna Dan Interna Di Instalasi Radiometalurgi Tahun 2012

PEMANTAUAN PENERIMAAN DOSIS EKSTERNA DAN INTERNA DI INSTALASI RADIOMETALURGI TAHUN 2012. Pemantauan penerimaan dosis eksterna dan interna di Instalasi Radiometalurgi tahun 2012 telah dilakukan. Tujuan dari kegiatan ini untuk mengetahui besarnya dosis eksterna dan interna yang diterima pekerja radiasi dihubungkan dengan kegiatan yang pekerja radiasi lakukan selama bekerja di laboratorium. Metoda yang dilakukan untuk mengevaluasi DEST yang diterima pekerja radiasi ini dengan cara menganalisis dosis eksterna yang berasal dari paparan radiasi dan dosis interna dengan cara in-vitro (pemeriksaan urine) dan in-vivo (Whole Body Counter). Ada beberapa personil yang menerima dosis eksterna triwulan 1 sebesar 0,06 mSv/thn, triwulan 3 antara 0,03 sampai dengan 0,10 mSv/thn sedangkan triwulan 2 dan 4 untuk penerimaan dosis eksterna hasil pemantauan ttd (tak terdeteksi). Hasil pemantauan dosis interna untuk triwulan 1 terpantau sebesar 0,01 mSv/thn, triwulan 4 antara 0,02 sampai dengan 0,09 mSv/thn. Untuk pemantauan triwulan 2 dan 3 hasilnya ttd (tak terdeteksi). Selama tahun 2012 penerimaan dosis eksterna dan interna untuk pekerja radiasi tersebut masih dalam kategori aman karena dosis yang diterima oleh pekerja radiasi masih jauh di bawah batas dosis yang diizinkan. Sesuai dengan Peraturan Kepala Badan Pengawas Tenaga Nuklir No. 4 Tahun 2013 Tentang Proteksi dan Keselamatan Radiasi Dalam Pemanfaatan Tenaga Nuklir dan berdasarkan Laporan Analisis Keselamatan Instalasi Radiometalurgi (LAK IRM), Nilai Batas Dosis yang diijinkan yakni sebesar 50 mSv/thn dan rata-rata 20 mSv dalam 5 tahun

Familial hypercholesterolemia in cardiac rehabilitation: a new field of interest

Familial hypercholesterolemia (FH) is a frequently undiagnosed genetic disease characterized by substantial elevations of low-density lipoprotein cholesterol (LDL-C). The prevalence of heterozygous FH (HeFH) in the general population is 1:500 inhabitants, while the prevalence of homozygous FH (HoFH) is 1:1,000,000. If FH is not identified and aggressively treated at an early age, affected individuals have a 20-fold increased lifetime risk of coronary heart disease compared with the general population. This narrative review provide a concise overview of recommendations for diagnosis and treatment of adults and children with FH, and discuss the utility of considering FH as a comorbidity at the entry of cardiac rehabilitation programme

Prevalence and pharmacologic management of familial hypercholesterolemia in an unselected contemporary cohort of patients with stable coronary artery disease

INTRODUCTION: Familial hypercholesterolemia (FH) is an inherited disorder characterized by elevated plasma levels of low-density lipoprotein cholesterol (LDL-C) associated with premature cardiovascular disease. METHODS: Using the data from the START (STable Coronary Artery Diseases RegisTry) study, a nationwide, prospective survey on patients with stable coronary artery disease (CAD), we described prevalence and lipid lowering strategies commonly employed in these patients. The study population was divided into "definite/probable FH," defined as a Dutch Lipid Clinic Network (DLCN) score ≥6, "possible FH" with DLCN 3-5, and "unlikely FH" in presence of a DLCN <3. RESULTS: Among the 4030 patients with the DLCN score available, 132 (3.3%) were classified as FH (2.3% with definite/probable and 1.0% with possible FH) and 3898 (96.7%) had unlikely FH. Patients with both definite/probable and possible FH were younger compared to patients not presenting FH. Mean on-treatment LDL-C levels were 107.8 ± 41.5, 84.4 ± 40.9, and 85.8 ± 32.3 (P < 0.0001) and a target of ≤70 mg/dL was reached in 10.9%, 30.0%, and 22.0% (P < 0.0001) of patents with definite/probable, possible FH, and unlikely FH, respectively. Statin therapy was prescribed in 85 (92.4%) patients with definite/probable FH, in 38 (95.0%) with possible FH, and in 3621 (92.9%) with unlikely FH (P = 0.86). The association of statin and ezetimibe, in absence of other lipid-lowering therapy, was more frequently used in patients with definite/probable FH compared to patients without FH (31.5% vs 17.5% vs 9.5%; P < 0.0001). CONCLUSIONS: In this large cohort of consecutive patients with stable CAD, FH was highly prevalent and generally undertreated with lipid lowering therapies

Familial hypercholesterolemia: The Italian Atherosclerosis Society Network (LIPIGEN)

Primary dyslipidemias are a heterogeneous group of disorders characterized by abnormal levels of circulating lipoproteins. Among them, familial hypercholesterolemia is the most common lipid disorder that predisposes for premature cardiovascular disease. We set up an Italian nationwide network aimed at facilitating the clinical and genetic diagnosis of genetic dyslipidemias named LIPIGEN (LIpid TransPort Disorders Italian GEnetic Network)

Evaluation of polygenic determinants of non-alcoholic fatty liver disease (NAFLD) by a candidate genes resequencing strategy

NAFLD is a polygenic condition but the individual and cumulative contribution of identified genes remains to be established. To get additional insight into the genetic architecture of NAFLD, GWAS-identified GCKR, PPP1R3B, NCAN, LYPLAL1 and TM6SF2 genes were resequenced by next generation sequencing in a cohort of 218 NAFLD subjects and 227 controls, where PNPLA3 rs738409 and MBOAT7 rs641738 genotypes were also obtained. A total of 168 sequence variants were detected and 47 were annotated as functional. When all functional variants within each gene were considered, only those in TM6SF2 accumulate in NAFLD subjects compared to controls (P = 0.04). Among individual variants, rs1260326 in GCKR and rs641738 in MBOAT7 (recessive), rs58542926 in TM6SF2 and rs738409 in PNPLA3 (dominant) emerged as associated to NAFLD, with PNPLA3 rs738409 being the strongest predictor (OR 3.12, 95% CI, 1.8-5.5, P 0.28 was associated with a 3-fold increased risk of NAFLD. Interestingly, rs61756425 in PPP1R3B and rs641738 in MBOAT7 genes were predictors of NAFLD severity. Overall, TM6SF2, GCKR, PNPLA3 and MBOAT7 were confirmed to be associated with NAFLD and a score based on these genes was highly predictive of this condition. In addition, PPP1R3B and MBOAT7 might influence NAFLD severity

Luminescent gold-thallium derivatives with a pyridine-containing 12-membered aza-thioether macrocycle

The coordination modes of the ligand 2, 5, 8-trithia[9](2, 6)pyridinophane (L) to thallium(i), gold(iii) and gold(i) have been studied. Thallium(i) is coordinated by the macrocyclic ligand in [Tl(L)](PF6) (1) through all the sulfur and nitrogen atoms, in a distorted square-pyramidal geometry with the thallium(i) ion in the apical position and with the presence of an inert lone pair. Gold(iii) is bonded by the ligand only through the nitrogen of the pyridine group in [AuCl3(L)] (2), whereas two AuI-C6F5fragments coordinate the sulfur atoms next to the pyridine moiety of the ligand in [{Au(C6F5)}2(µ-L)] (3), which form a linear polymer through intermolecular aurophilic contacts. The heterometallic TlI/AuIcomplex {[Au(C6F5)2Tl]2(L)}n(4) features a polymeric structural nature with a metallic pseudo-rhombic Au2Tl2core, which repeats itself forming a zig-zag polymer. In each Au2Tl2unit only one thallium atom is bonded by the NS3donor set of the macrocyclic ligand and also forms two unsupported Au-Tl bonds with two [Au(C6F5)2]-units in an overall pseudo-octahedral geometry. The other thallium atom similarly bridges the same [Au(C6F5)2]-units and links a neighbouring Au2Tl2moiety, thus exhibiting a distorted trigonal planar geometry being bonded only to three gold atoms with unsupported Au-Tl interactions. This complex displays an interesting thermochromic behaviour showing emissions mainly resulting from MM'CT transitions at room temperature. At 77 K a dual emission appears, probably arising from the two different thallium environments. DFT calculations have been carried out in the attempt to investigate the origin of the emissions of complex4. © The Royal Society of Chemistry 2021