343 research outputs found
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Cytenamide-1,4-dioxane (2/1)
No full textIn the crystal structure of the title compound [systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide-1,4dioxane(2/1)], 2C(16)H(13)NO center dot C4H8O2, the cytenamide molecules form a hydrogen-bonded R-2(2)(8) dimer. The solvent molecule is located between two adjacent cytenamide dimers and forms N-H center dot center dot center dot O hydrogen bonds with one cytenamide molecule from each dimer
Update of the budget impact analysis of the simplification to atazanavir + ritonavir + lamivudine dual therapy of HIV-positive patients receiving atazanavir-based triple therapies in Italy starting from data of the Atlas-M trial
No full textUmberto Restelli,1,2 Massimiliano Fabbiani,3 Simona Di Giambenedetto,3 Carmela Nappi,4 Davide Croce,1,21Center for Health Economics, Social and Health Care Management, LIUC – Università Cattaneo, Castellanza, Italy; 2School of Public Health, Faculty of Health Sciences, University of the Witwatersrand, Johannesburg, South Africa; 3Institute of Clinical Infectious Diseases, Catholic University of Sacred Heart, 4Health Economics, Bristol Myers Squibb S.r.l., Rome, ItalyIn 2017, the authors published an article to assess the financial consequences for the Italian National Health Service, over a 5-year period, of the adoption of a simplification strategy to atazanavir (ATV) + ritonavir (r) + lamivudine (3TC) dual therapy of HIVpositive patients receiving ATV plus two nucleoside reverse transcriptase inhibitors (NRTIs) starting from data of the Atlas-M trial at 48 weeks.1Consequently to the publication of the clinical results of the Atlas-M trial at 96 weeks, we updated the model implemented for the analysis, considering the most recent evidence.2The model was adapted considering the transitions among antiretroviral therapies (ARTs) observed in the trial, as reported in Figure 1, for years 1 and 2, and maintaining for years 3, 4, and 5 the same differential effectiveness (percentage of patients without virologic failure) observed between 48 and 96 weeks. In detail, the percentage of virologic failures considered in year 1 were 4.51% for ATV+r+2 NRTI and 0.76% for ATV+r+3TC; and in each following year were 8.66% for ATV+r+2 NRTI and 3.05% for ATV+r+3TC
Structural Elucidation of α-Cyclodextrin-Succinic Acid Pseudo Dodecahydrate: Expanding the Packing Types of α-Cyclodextrin Inclusion Complexes
No full textThis paper reports a new packing type of α-cyclodextrin inclusion complexes, obtained here with succinic acid under low-temperature crystallization conditions. The structure of the 1:1 complex is characterized by heavy disorder of the guest, the solvent, and part of the host. The crystal packing belongs to the known channel-type structure; the basic structural unit is composed of cyclodextrin trimers, as opposed to the known isolated molecular or dimeric constructs, packed along the c-axis. Each trimer is made of crystallographically independent molecules assembled in a stacked vase-like cluster. A multi-temperature single-crystal X-ray diffraction analysis reveals the presence of dynamic disorder
Physical and chemical aspects of the interaction of molecules with external surface and structural cavities of nanomaterials.
No full textThe research work carried out during this PhD project has been aimed to the investigation of molecular surface events relevant for the catalytic formation, in mild conditions, of amide/peptide bonds from non-activated reagents adsorbed on nanomaterials. The formation of C-N bonds is among the topics of high interest in modern research in chemistry, addressing issues ranging from fine to prebiotic chemistry. The implementation of this project required the selection of both catalyst and reactants. As for the nanomaterials, the criteria of choice were simplicity, availability and low cost for possible future applications and, on the other hand, reasonable representativeness of minerals possibly present on the early Earth, and active as catalyst towards adsorbed organic molecules. On this basis the following nanoparticles of silica and titania are selected as well as a zeolite of the ZSM-10 type, with a MOZ framework. This latter material was intended as a porous host for future studies of the high pressure induced oligomerization of amino acids. This part of the work belongs to a very recent project, and then the work carried out in this respect in this PhD thesis is focused on the synthesis of zeolite particles with proper framework features. The choice of reactants was driven, on one hand, on the suitability to be studied in depth by both experimental methods and theoretical modelling, and on the other hand, by the possibility to adsorb them on surfaces of nanomaterials from the vapour phase, i.e. in highly controlled conditions. Thus, the simplest carboxylic acid, HCOOH was selected, as well as two simple primary amines (methylamine and 1-pentanamine). One of the surface reaction investigated was the oligomerization of amino acids on the nanomaterials and for this glycine, alanine, histidine, serine were selected because of the possibility to adsorb them on catalyst via a chemical vapour deposition method. In summary, in Chapter One, the study targeting the elucidation of the mechanism of the amide bond formation between non-activated carboxylic acids and amines at the surface of amorphous silica is reported. The results prepare the ground to address the occurrence of this reaction and of the oligomerization of amino acids (glycine and alanine) at the surface of α-quartz sub-micrometric particles (Chapter Two). The study of the C-N bond formation at the surface of titania nanoparticles is the object of Chapters Three to Five. In particular, Chapter Three is devoted to the investigation the structural requirements of sites expose at the surface of titania nanoparticles in order they can act as catalytic sites towards amino acid oligomerization. In Chapter Four, insights on basic aspects of the interaction of formic acid and methylamine with the 101 anatase titania surface are presented. The possibility to prepare Ser-His dipeptides starting from non-activated amino acids by using titania nanoparticle as catalyst and the possible hydrolytic activity of the obtained peptides is the object of Chapter Five. Finally, in Chapter Six, challenges, successes and problems still to be solved for and effective synthesis of large ZSM-10 particles, required for multitechniques investigations, including single crystal X-ray diffraction
Human bocavirus detection in an atopic child affected by pneumonia associated with wheezing
No full textBackground: Human bocavirus (HBoV) is a newly discovered human parvovirus. HBoV was detected in respiratory samples by PCR, but its aetiologic role in the pathogenesis of acute respiratory infectious diseases is still unclear. Results: In this report, we describe an atopic child affected by pneumonia, with a past history of wheezing. A panel of bacteria and respiratory viruses were searched in the nasopharyngeal swab, only human bocavirus was detected by PCR. Conclusions: Detection of HboV, as the only microbial agent, in samples from children with wheezing and acute respiratory diseases supports the assumption that this emerging virus could have an aetiologic role in the pathogenesis of respiratory diseases. © 2007 Elsevier B.V. All rights reserved
Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C(10)mim]Cl-Water Mixtures
No full textThe structural behavior a long-chain imidazolium-based ionic liquid [C(10)mim]Cl-water mixtures has been HP investigated in detail by low-teruperature arid high-pressure crystallization methods, and the solid forms have been fully characterized by single-crystal X-ray diffraction. Form I, a monohydrate, crystallizes from solutions containing 6-8% (w/w) water; its structure exhibits bilayers, in which the cations alternate from layer to layer to create hydrophobic and hydrophilic regions. Form II, which is a Z' > 1 structure, incorporates a variable amount of water content (from pseudo-hemihydrate to pseudo-monohydrate) depending on the sample treatment and environment; this form crystallizes from solutions containing 80% (w/w) water. This structure is closely related -to that of-form I. While homeotypic and isotypic structures of forms I and II have been previously reported, form III represents, to the best of our knowledge, the only example of a highly hydrated long-chain imidazolium-based ionic liquid isolated in the solid state. The formation of mesophases in the title compound has also been investigated by polarized optical microscopy, and the results were correlated with previous liquid-crystal Studies on related compounds.DFG (Emmy Noether Grant) [FA 946/1-1
RB1 Germline Variant Predisposing to a Rare Ovarian Germ Cell Tumor: A Case Report
No full textMalignant ovarian germ cell tumors (MOGCTs) are neoplasms of the ovary, of which, due to their rarity and heterogeneity, few is reported about genetic background and development. Here, we report a 18-years old patient diagnosed with an ovarian mixed germ cell tumor, without any previous history of malignancies, who has been treated with surgery and chemotherapy and died 4 years later due to peritoneal metastasis complications. Patient's blood DNA was screened for a panel of 52 cancer-related genes in order to identify predisposing aberrations to this rare cancer. The analysis discovered the uncharacterized c.2393G>A variant in RB1, the retinoblastoma gene, leading both to a missense change and a splicing perturbation of the RB1 transcript. The variant was found to be hypomorphic, damaging the C-terminal domain with a partially impaired protein function. The variant is inherited from the unaffected mother. Due to an imprinting mechanism, the maternal allele is ~3-fold more expressed than the paternal one. The parent-of-origin effect combined with the hypomorphic impact of the variant determines a rescue of sufficient tumor-suppressor activity to prevent retinoblastoma development but can predispose to other cancers in the adult age. In order to understand the somatic events acting on the germline predisposition we used the NGS-liquid biopsy covering 77 cancer driver genes. Using this approach, we detected deleterious mutations in TP53, SMAD4, FGFR3, and MSH2, indicative of a dis-regulation of cell cycle and DNA repair mechanisms pathways. In conclusion, we have pinpointed for the first time that an RB1 leaky variant, not leading to retinoblastoma because of its maternal origin, can predispose in adults to a very rare form of ovarian cancer and that the somatic disruption of few genes contributes to the tumor progression and aggressiveness. © 2020 Gelli, Fallerini, Valentino, Giliberti, Castiglione, Laschi, Palmieri, Fabbiani, Tita, Mencarelli, Renieri and Ariani
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Cytenamide-butyric acid (1/1)
No full textCytenamide forms a 1:1 solvate with butyric acid [systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide-butanoic acid (1/1)], C16H13NO center dot C4H8O2. The title compound crystallizes with one molecule of cytenamide and one of butyric acid in the asymmetric unit; these molecules are linked by N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds to form an R-2(2)(8) heterodimer motif. Pairs of adjacent motifs are further connected via N-H center dot center dot center dot O interactions to form a discrete centrosymmetric assembly
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