Molecular Dynamics Study of Sorafenib Anti-Cancer Drug: Inclusion Complex in Amphiphilic Cyclodextrin

Cyclodextrins (CDs) are cyclic oligosaccharides able to solubilize hydrophobic drugs in water enhancing their bioavailability. Sorafenib (SOR) is a lipophilic oral multikinase inhibitor that impedes proliferation, angiogenesis, and invasion of cancer cells with low water-solubility. Recently, amphiphilic cyclodextrins (aCDs) have been investigated as possible nanocarrier for systemic administration of SOR increasing its bio-availability. A theoretical study about inclusion complexes of SOR drug and a model of aCD system using molecular mechanics (MM) and molecular dynamics (MD) methods is here reported. At first, the single molecule aCD (SC6OH, heptakis(2-O-oligo(ethylene oxide)-6-hexylthio)-β-CD bearing 14 units of ethylene-oxide at the CD secondary rim) and SOR drug are studied. Then, the interaction between aCD and SOR is investigated. The theoretical results display different types of interaction geometries. The most stable geometry of the host-guest complex showed the lowest potential and favorable interaction energy and the fluorine atoms of SOR drug molecule are directed toward the hydrophobic primary rim of the aCD, while the part of the SOR rich in oxygen atoms is directed toward the hydrophilic secondary rim. This theoretical result is in a good agreement with NMR data in literature about same aCD as host of Sorafenib anti-cancer drug

Instrumental and sensory evaluation of seven apple (Malus domestica Borkh.) cultivars under organic cultivation in Sicily

ArticleIn this trial we examined the quality of 7 clones belonging to more diffused apple polyclonal varietal groups, using chemical/physical and sensory analyses during two consecutive years. Galaxy, and their ameliorative clones Gala Annaglò® and Dalitoga (Gala clones) that ripen in summer, Erovan* Early Red One® and Scarlet Spur*-Evasni® (Red Delicious clone), Corail Pinova and its ameliorative clone RoHo 3615 * Evelina® that ripen in autumn were studied. Gala Annaglò® is interesting for the fruit size and peel color, Dalitoga for the early ripening and Galaxy for the crunchiness and consistency. All the Gala clones reached very high total solid soluble content confirmed by the panel judgment of the sweetness and acidity descriptors. The Red Delicious clones confirm the larger size and the high colorimetric standard of all covered red fruits; the new clone Scarlet Spur*-Evasni® reached an interesting fruit size and peel colour intensity and uniformity, and the best total solid soluble content to total acidity ratio confirmed by the sensory descriptors of acidity and sweetness. Moreover, it reached very high values of crunchiness, consistency and interesting values of apple flavour, honey flavour and fruit flavour. The ameliorative clone RoHo 3615*Evelina® was characterized by well uniform and intense coloured fruits and a more balanced total solid soluble content to total acidity ratio, and interesting values of crunchiness, consistency, apple flavour, honey flavour and fruit flavour. This study confirms the relationship between instrumental and sensory analysis

The effect of sous vide packaging with rosemary essential oil on storage quality of fresh-cut potato

Selection of suitable raw materials and technologies are essential for the fresh-cut segment, since they represent key factors to be competitive in the modern markets. This study aimed at assessing the suitability of six early potato cultivars, grown in an experimental field, for minimal processing. In particular, the sous vide packaging method, in association with rosemary essential oil (REO), was evaluated as a strategy for the quality preservation of sliced potatoes. Physical, mechanical, chemical, microbiological and sensory characteristics were monitored in order to estimate qualitative changes of the product over refrigerated storage. Results demonstrated that the synergic use of REO and sous vide packaging had a positive effect on texture, and limited the growth of mesophilic bacteria and Enterobacteriaceae over the storage period; it also ensured a certain retention of ascorbic acid, total polyphenol content, and antioxidant activity. Hence, the proposed technological strategy could represent a valid solution for the preservation of sliced potatoes, contributing to limit, for the most suitable cultivars identified as Fontane and Marabel, the quality decrease until 11 days of cold storage

Applications of Monte Carlo methods to special radiotherapeutic techniques

Monte Carlo (MC) methods are considered one of the most powerful and precise approaches to study and solve medical physics issues. They, indeed, can be applied in all the situations where to use deterministic algorithms is infeasible or impossible. Surprising improvements in computer technology have promoted a wide diffusion of this technique, giving rise to the born of several Monte Carlo codes, such as the GEANT4 toolkit. In this paper we show some of the applications we developed using GEANT4. In particular, the simulation of two different radiotherapy techniques, such as proton/ion therapy and stereotactic radiosurgery will be discussed. In the first case we show the main features of our last public version of the GEANT4 Hadrontherapy program, also discussing the issues related to the nuclear fragmentation. In the second case, we show the procedures followed for the simulation of a Gamma Knife device, in order to validate the Treatment Planning System (TPS) used for the dose computation

Exploring the expression of defence-related genes in Actinidia spp. after infection with Pseudomonas syringae pv. actinidiae and pv. actinidifoliorum: first steps

Kiwifruit bacterial canker (KBC), caused by Pseudomonas syringae pv. actinidiae (PSA), is currently the most destructive disease of kiwifruit worldwide. Conversely, a closely related bacterial strain, P. syringae pv. actinidifoliorum (PFM), only causes necrotic spots and has not been associated with plant mortality. Moreover, there is some evidence on the higher susceptibility of the Actinidia chinensis var. deliciosa kiwifruit species to KBC, compared with A. arguta, but the reasons behind it are still largely unknown. In this work, micropropagated plants of Actinidia chinensis var. deliciosa 'Hayward' and A. arguta var. arguta 'Ken's Red' were inoculated with PSA or with PFM (10(7) CFUs mL(-1)). Disease development was monitored 1, 2 and 5 days post inoculation (dpi) through the determination colony forming units (CFUs) and the expression analysis of six plant defence-related genes (APX, CAT, SOD, LOX1, SAM and TLP1). At 5 dpi, CFUs in plant tissues inoculated with PSA and PFM were, respectively, 17.4-fold and 2.8-fold higher in A. chinensis compared with A. arguta. Expression of antioxidant enzyme-related genes was very distinct between the two kiwifruit species: SOD expression was drastically increased in A. chinensis (up to 2.1-fold, 5 dpi), whereas in A. arguta CAT was the most upregulated gene (up to 1.7-fold, 2 dpi). LOX1, involved in jasmonic acid biosynthesis, was upregulated in both species, however reaching the highest values at 2 dpi in A. chinensis (2.2 fold) and 1 dpi in A. arguta (1.9-fold). It is concluded that A. arguta is much more tolerant to PSA than A. chinensis and that the molecular mechanisms between the two kiwifruit species involve specific defence pathways being triggered at distinct moments after plant infection.info:eu-repo/semantics/publishedVersio

The Flexible Plasma Trap (FPT) for the production of overdense plasmas

Electron Cyclotron Resonance Ion Sources are currently the most efficient ionsources among those used in facilities dedicated to nuclear physics. The needfor a more flexible magnetic field and RF injection system suggested to designand develop a different type of plasma trap, named Flexible Plasma Trap (FPT).The magnetic field of FPT is generated by means of three coils while microwavesin the range 4-7 GHz can be injected by three different inputs, one placedalong the axis and two placed radially. FPT can work in different plasmaheating schemes so it will be an ideal tool for studies of plasma andmultidisciplinary physics. Moreover, a microwave launcher has been designed andinstalled to the FPT for launching microwaves with a variable tilt angle withrespect to the magnetic field. This paper describes the characteristics of theFPT along with the preliminary results of plasma diagnostics

Saccharomyces hybrids as a tool for improving the quality of Moscato di Siracusa DOC wine

The study aimed to evaluate four Saccharomyces cerevisiae strains, one intraspecific S. cerevisiae hybrid, and five interspecific S. cerevisiae×S. uvarum hybrids with respect to the quality of Moscato di Siracusa DOC wine by comparing them with a commercial Saccharomyces cerevisiae strain. Most of the interspecific hybrids maintained volatile acidity (VA) at very low levels, produced high concentrations of glycerol, malic and succinic acid, and yielded the highest concentration of positive sensory attributes. On the basis of the results of these experimental fermentation trials, a real opportunity to produce special wines employing S. cerevisiae×S. uvarum hybrids is proposed.The study aimed to evaluate four Saccharomyces cerevisiae strains, one intraspecific S. cerevisiae hybrid, and five interspecific S. Cerevisiae×S. uvarum hybrids with respect to the quality of Moscato di Siracusa DOC wine by comparing them with a commercial Saccharomyces cerevisiae strain.Most of the interspecific hybrids maintained volatile acidity (VA) at very low levels, producedhigh concentrations of glycerol, malic and succinic acid, and yielded the highest concentrationof positive sensory attributes.On the basis of the results of these experimental fermentation trials, a real opportunity to producespecial wines employing S. cerevisiae×S. uvarum hybrids is proposed

Study Design and Evaluation of Risk Minimization Measures: A Review of Studies Submitted to the European Medicines Agency for Cardiovascular, Endocrinology, and Metabolic Drugs

Introduction: Studies measuring the effectiveness of risk minimization measures (RMMs) submitted by pharmaceutical companies to the European Medicines Agency are part of the post-authorization regulatory requirements and represent an important source of data covering a range of medicinal products and safety-related issues. Their objectives, design, and the associated regulatory outcomes were reviewed, and conclusions were drawn that may support future progress in risk minimization evaluation. Methods: Information was obtained from risk management plans, study protocols, clinical study reports, and assessment reports of 157 medicinal products authorized for cardiovascular, endocrinology, and metabolic indications. We selected observational studies measuring, as outcomes o