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  1. Article: A Niche Approach for Modeling Economic Competition.

    Giorno, Saverio Di / Reggiani, Aura

    Nonlinear dynamics, psychology, and life sciences

    2024  Volume 28, Issue 2, Page(s) 165–184

    Abstract: The use of predator-prey models in economics has a long history, and the model equations have largely evolved since the original Lotka-Volterra system towards more realistic descriptions of the economic dynamics of predation, competition, and synergy. ... ...

    Abstract The use of predator-prey models in economics has a long history, and the model equations have largely evolved since the original Lotka-Volterra system towards more realistic descriptions of the economic dynamics of predation, competition, and synergy. Seminal examples in this regard are the business cycle model (Goodwin, 1967), chaotic hysteresis (Rosser, 1994), and the models of renewable resources (Clark, 1990). Given this background, this paper aims to analyse the mechanism of economic competition under different conditions, by adopting the unifying framework of niche models. Niche models are dynamic competition models that allow for a richer description of the interacting economic variables than the neoclassical economic theory. We conduct a qualitative study of the dynamic behaviour of firms of different types/sizes in the province di Bologna (Italy), analyzing - in discrete time - their competition through simula-tion experiments. It emerges that the economic system under analysis is coherent with different (in)stability patterns depending on different configurations of the firms within the market, by confirming the theory of industrial districts in the northeast of Italy.
    Language English
    Publishing date 2024-03-20
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2004049-0
    ISSN 1573-6652 ; 1090-0578
    ISSN (online) 1573-6652
    ISSN 1090-0578
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Mosaicking Weather Radar Retrievals from an Operational Heterogeneous Network at C and X Band for Precipitation Monitoring in Italian Central Apennines

    Stefano Barbieri / Saverio Di Fabio / Raffaele Lidori / Francesco L. Rossi / Frank S. Marzano / Errico Picciotti

    Remote Sensing, Vol 14, Iss 248, p

    2022  Volume 248

    Abstract: Meteorological radar networks are suited to remotely provide atmospheric precipitation retrieval over a wide geographic area for severe weather monitoring and near-real-time nowcasting. However, blockage due to buildings, hills, and mountains can hamper ... ...

    Abstract Meteorological radar networks are suited to remotely provide atmospheric precipitation retrieval over a wide geographic area for severe weather monitoring and near-real-time nowcasting. However, blockage due to buildings, hills, and mountains can hamper the potential of an operational weather radar system. The Abruzzo region in central Italy’s Apennines, whose hydro-geological risks are further enhanced by its complex orography, is monitored by a heterogeneous system of three microwave radars at the C and X bands with different features. This work shows a systematic intercomparison of operational radar mosaicking methods, based on bi-dimensional rainfall products and dealing with both C and X bands as well as single- and dual-polarization systems. The considered mosaicking methods can take into account spatial radar-gauge adjustment as well as different spatial combination approaches. A data set of 16 precipitation events during the years 2018–2020 in the central Apennines is collected (with a total number of 32,750 samples) to show the potentials and limitations of the considered operational mosaicking approaches, using a geospatially-interpolated dense network of regional rain gauges as a benchmark. Results show that the radar-network pattern mosaicking, based on the anisotropic radar-gauge adjustment and spatial averaging of composite data, is better than the conventional maximum-value merging approach. The overall analysis confirms that heterogeneous weather radar mosaicking can overcome the issues of single-frequency fixed radars in mountainous areas, guaranteeing a better spatial coverage and a more uniform rainfall estimation accuracy over the area of interest.
    Keywords weather radar ; networking ; mosaicking algorithm ; data processing ; validation ; Science ; Q
    Subject code 910
    Language English
    Publishing date 2022-01-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Expanding the Library of 1,2,4-Oxadiazole Derivatives

    Claudia Finamore / Carmen Festa / Bianca Fiorillo / Francesco Saverio Di Leva / Rosalinda Roselli / Silvia Marchianò / Michele Biagioli / Lucio Spinelli / Stefano Fiorucci / Vittorio Limongelli / Angela Zampella / Simona De Marino

    Molecules, Vol 28, Iss 2840, p

    Discovery of New Farnesoid X Receptor (FXR) Antagonists/Pregnane X Receptor (PXR) Agonists

    2023  Volume 2840

    Abstract: Compounds featuring a 1,2,4-oxadiazole core have been recently identified as a new chemotype of farnesoid X receptor (FXR) antagonists. With the aim to expand this class of compounds and to understand the building blocks necessary to maintain the ... ...

    Abstract Compounds featuring a 1,2,4-oxadiazole core have been recently identified as a new chemotype of farnesoid X receptor (FXR) antagonists. With the aim to expand this class of compounds and to understand the building blocks necessary to maintain the antagonistic activity, we describe herein the synthesis, the pharmacological evaluation, and the in vitro pharmacokinetic properties of a novel series of 1,2,4-oxadiazole derivatives decorated on the nitrogen of the piperidine ring with different N-alkyl and N-aryl side chains. In vitro pharmacological evaluation showed compounds 5 and 11 as the first examples of nonsteroidal dual FXR/Pregnane X receptor (PXR) modulators. In HepG2 cells, these compounds modulated PXR- and FXR-regulated genes, resulting in interesting leads in the treatment of inflammatory disorders. Moreover, molecular docking studies supported the experimental results, disclosing the ligand binding mode and allowing rationalization of the activities of compounds 5 and 11 .
    Keywords farnesoid X receptor antagonist ; pregnane X receptor agonist ; 1,2,4-oxadiazole ; inflammatory disorders ; Organic chemistry ; QD241-441
    Subject code 540
    Language English
    Publishing date 2023-03-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: Expanding the Library of 1,2,4-Oxadiazole Derivatives: Discovery of New Farnesoid X Receptor (FXR) Antagonists/Pregnane X Receptor (PXR) Agonists.

    Finamore, Claudia / Festa, Carmen / Fiorillo, Bianca / Leva, Francesco Saverio Di / Roselli, Rosalinda / Marchianò, Silvia / Biagioli, Michele / Spinelli, Lucio / Fiorucci, Stefano / Limongelli, Vittorio / Zampella, Angela / De Marino, Simona

    Molecules (Basel, Switzerland)

    2023  Volume 28, Issue 6

    Abstract: Compounds featuring a 1,2,4-oxadiazole core have been recently identified as a new chemotype of farnesoid X receptor (FXR) antagonists. With the aim to expand this class of compounds and to understand the building blocks necessary to maintain the ... ...

    Abstract Compounds featuring a 1,2,4-oxadiazole core have been recently identified as a new chemotype of farnesoid X receptor (FXR) antagonists. With the aim to expand this class of compounds and to understand the building blocks necessary to maintain the antagonistic activity, we describe herein the synthesis, the pharmacological evaluation, and the in vitro pharmacokinetic properties of a novel series of 1,2,4-oxadiazole derivatives decorated on the nitrogen of the piperidine ring with different N-alkyl and N-aryl side chains. In vitro pharmacological evaluation showed compounds
    MeSH term(s) Pregnane X Receptor ; Receptors, Steroid/metabolism ; Receptors, Cytoplasmic and Nuclear ; Molecular Docking Simulation ; Gene Library
    Chemical Substances Pregnane X Receptor ; Receptors, Steroid ; Receptors, Cytoplasmic and Nuclear
    Language English
    Publishing date 2023-03-21
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules28062840
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Theoretical and experimental studies on the interaction of biphenyl ligands with human and murine PD-L1

    Greta Donati / Vincenzo Maria D’Amore / Pasquale Russomanno / Linda Cerofolini / Jussara Amato / Simona Marzano / Maria Salobehaj / Domenico Rizzo / Giulia Assoni / Alfonso Carotenuto / Valeria La Pietra / Daniela Arosio / Pierfausto Seneci / Marco Fragai / Diego Brancaccio / Francesco Saverio Di Leva / Luciana Marinelli

    Computational and Structural Biotechnology Journal, Vol 21, Iss , Pp 3355-

    Up-to-date clues for drug design

    2023  Volume 3368

    Abstract: Today it is widely recognized that the PD-1/PD-L1 axis plays a fundamental role in escaping the immune system in cancers, so that anti-PD-1/PD-L1 antibodies have been evaluated for their antitumor properties in more than 1000 clinical trials. As a result, ...

    Abstract Today it is widely recognized that the PD-1/PD-L1 axis plays a fundamental role in escaping the immune system in cancers, so that anti-PD-1/PD-L1 antibodies have been evaluated for their antitumor properties in more than 1000 clinical trials. As a result, some of them have entered the market revolutionizing the treatment landscape of specific cancer types. Nonetheless, a new era based on the development of small molecules as anti PD-L1 drugs has begun. There are, however, some limitations to advancing these compounds into clinical stages including the possible difficulty in counteracting the PD-1/PD-L1 interaction in vivo, the discrepancy between the in vitro IC50 (HTFR assay) and cellular EC50 (immune checkpoint blockade co-culture assay), and the differences in ligands’ affinity between human and murine PD-L1, which can affect their preclinical evaluation. Here, an extensive theoretical study, assisted by MicroScale Thermophoresis binding assays and NMR experiments, was performed to provide an atomistic picture of the binding event of three representative biphenyl-based compounds in both human and murine PD-L1. Structural determinants of the species’ specificity were unraveled, providing unprecedented details useful for the design of next generation anti-PD-L1 molecules.
    Keywords Immunotherapy ; Cancer ; Programmed Death Ligand 1 ; Computational Chemistry ; Drug Design ; Biotechnology ; TP248.13-248.65
    Subject code 570
    Language English
    Publishing date 2023-01-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  6. Article ; Online: Bioinformatics and Biosimulations as Toolbox for Peptides and Peptidomimetics Design

    Ilda D’Annessa / Francesco Saverio Di Leva / Anna La Teana / Ettore Novellino / Vittorio Limongelli / Daniele Di Marino

    Frontiers in Molecular Biosciences, Vol

    Where Are We?

    2020  Volume 7

    Abstract: Peptides and peptidomimetics are strongly re-emerging as amenable candidates in the development of therapeutic strategies against a plethora of pathologies. In particular, these molecules are extremely suitable to treat diseases in which a major role is ... ...

    Abstract Peptides and peptidomimetics are strongly re-emerging as amenable candidates in the development of therapeutic strategies against a plethora of pathologies. In particular, these molecules are extremely suitable to treat diseases in which a major role is played by protein–protein interactions (PPIs). Unlike small organic compounds, peptides display both a high degree of specificity avoiding secondary off-targets effects and a relatively low degree of toxicity. Further advantages are provided by the possibility to easily conjugate peptides to functionalized nanoparticles, so improving their delivery and cellular uptake. In many cases, such molecules need to assume a specific three-dimensional conformation that resembles the bioactive one of the endogenous ligand. To this end, chemical modifications are introduced in the polypeptide chain to constrain it in a well-defined conformation, and to improve the drug-like properties. In this context, a successful strategy for peptide/peptidomimetics design and optimization is to combine different computational approaches ranging from structural bioinformatics to atomistic simulations. Here, we review the computational tools for peptide design, highlighting their main features and differences, and discuss selected protocols, among the large number of methods available, used to assess and improve the stability of the functional folding of the peptides. Finally, we introduce the simulation techniques employed to predict the binding affinity of the designed peptides for their targets.
    Keywords peptides design ; peptidomimetics ; binding free-energy ; protein–protein interaction ; bioinformatics tools ; Biology (General) ; QH301-705.5
    Subject code 540
    Language English
    Publishing date 2020-05-01T00:00:00Z
    Publisher Frontiers Media S.A.
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; Online: The Inhibition of DNA Viruses by the Amphibian Antimicrobial Peptide Temporin G

    Maria Elena Marcocci / Bianka Gabriela Jackowska / Carla Prezioso / Virginia Protto / Marta De Angelis / Francesco Saverio Di Leva / Bruno Casciaro / Alfonso Carotenuto / Maria Luisa Mangoni / Anna Teresa Palamara / Valeria Pietropaolo / Giovanna De Chiara / Lucia Nencioni

    International Journal of Molecular Sciences, Vol 23, Iss 7194, p

    A Virological Study Addressing HSV-1 and JPCyV

    2022  Volume 7194

    Abstract: Herpes simplex virus type-1 (HSV-1) and John Cunningham polyomavirus (JCPyV) are widely distributed DNA viruses causing mainly asymptomatic infection, but also mild to very severe diseases, especially when these viruses reach the brain. Some drugs have ... ...

    Abstract Herpes simplex virus type-1 (HSV-1) and John Cunningham polyomavirus (JCPyV) are widely distributed DNA viruses causing mainly asymptomatic infection, but also mild to very severe diseases, especially when these viruses reach the brain. Some drugs have been developed to inhibit HSV-1 replication in host cells, but their prolonged use may induce resistance phenomena. In contrast, to date, there is no cure for JCPyV. The search for alternative drugs that can reduce viral infections without undermining the host cell is moving toward antimicrobial peptides (AMPs) of natural occurrence. These include amphibian AMPs belonging to the temporin family. Herein, we focus on temporin G (TG), showing that it strongly affects HSV-1 replication by acting either during the earliest stages of its life cycle or directly on the virion. Computational studies have revealed the ability of TG to interact with HSV-1 glycoprotein B. We also found that TG reduced JCPyV infection, probably affecting both the earliest phases of its life cycle and the viral particle, likely through an interaction with the viral capsid protein VP1. Overall, our results are promising for the development of short naturally occurring peptides as antiviral agents used to counteract diseases related to HSV-1 and JCPyV.
    Keywords HSV-1 ; JCPvV ; temporins ; antimicrobial peptides ; antiviral agents ; Biology (General) ; QH301-705.5 ; Chemistry ; QD1-999
    Language English
    Publishing date 2022-06-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  8. Article ; Online: Discovery of ((1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl)ureidyl derivatives as selective non-steroidal agonists of the G-protein coupled bile acid receptor-1

    Francesco Saverio Di Leva / Carmen Festa / Adriana Carino / Simona De Marino / Silvia Marchianò / Daniele Di Marino / Claudia Finamore / Maria Chiara Monti / Angela Zampella / Stefano Fiorucci / Vittorio Limongelli

    Scientific Reports, Vol 9, Iss 1, Pp 1-

    2019  Volume 9

    Abstract: Abstract The G-protein bile acid receptor 1 (GPBAR1) has emerged in the last decade as prominent target for the treatment of metabolic and inflammatory diseases including type 2 diabetes, obesity, and non-alcoholic steatohepatitis. To date numerous bile ... ...

    Abstract Abstract The G-protein bile acid receptor 1 (GPBAR1) has emerged in the last decade as prominent target for the treatment of metabolic and inflammatory diseases including type 2 diabetes, obesity, and non-alcoholic steatohepatitis. To date numerous bile acid derivatives have been identified as GPBAR1 agonists, however their clinical application is hampered by the lack of selectivity toward the other bile acid receptors. Therefore, non-steroidal GPBAR1 ligands able to selectively activate the receptor are urgently needed. With this aim, we here designed, synthesized and biologically evaluated ((1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl) urea derivatives as novel potent GPBAR1 agonists. Particularly, compounds 9 and 10 induce the mRNA expression of the GPBAR1 target gene pro-glucagon and show high selectivity over the other bile acid receptors FXR, LXRα, LXRβ and PXR, and the related receptors PPARα and PPARγ. Computational studies elucidated the binding mode of 10 to GPBAR1, providing important structural insights for the design of non-steroidal GPBAR1 agonists. The pharmacokinetic properties of 9 and 10 suggest that the ((1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl)ureydil scaffold might be exploited to achieve effective drug candidates to treat GPBAR1 related disorders.
    Keywords Medicine ; R ; Science ; Q
    Subject code 540
    Language English
    Publishing date 2019-02-01T00:00:00Z
    Publisher Nature Publishing Group
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  9. Article ; Online: Introduction of Nonacidic Side Chains on 6-Ethylcholane Scaffolds in the Identification of Potent Bile Acid Receptor Agonists with Improved Pharmacokinetic Properties

    Claudia Finamore / Giuliana Baronissi / Silvia Marchianò / Francesco Saverio Di Leva / Adriana Carino / Maria Chiara Monti / Vittorio Limongelli / Angela Zampella / Stefano Fiorucci / Valentina Sepe

    Molecules, Vol 24, Iss 6, p

    2019  Volume 1043

    Abstract: As a cellular bile acid sensor, farnesoid X receptor (FXR) and the membrane G-coupled receptor (GPBAR1) participate in maintaining bile acid, lipid, and glucose homeostasis. To date, several selective and dual agonists have been developed as promising ... ...

    Abstract As a cellular bile acid sensor, farnesoid X receptor (FXR) and the membrane G-coupled receptor (GPBAR1) participate in maintaining bile acid, lipid, and glucose homeostasis. To date, several selective and dual agonists have been developed as promising pharmacological approach to metabolic disorders, with most of them possessing an acidic conjugable function that might compromise their pharmacokinetic distribution. Here, guided by docking calculations, nonacidic 6-ethyl cholane derivatives have been prepared. In vitro pharmacological characterization resulted in the identification of bile acid receptor modulators with improved pharmacokinetic properties.
    Keywords FXR agonists ; bile acid receptors ; steroidal scaffolds ; medicinal chemistry ; Organic chemistry ; QD241-441
    Language English
    Publishing date 2019-03-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  10. Article ; Online: Short and long-term outcomes of laparoscopic colectomy in obese patients

    Andrea Vignali / Paola De Nardi / Luca Ghirardelli / Saverio Di Palo / Carlo Staudacher

    World Journal of Gastroenterology, Vol 19, Iss 42, Pp 7405-

    2013  Volume 7411

    Abstract: AIM: To investigate the impact of laparoscopic colectomy on short and long-term outcomes in obese patients with colorectal diseases. METHODS: A total of 98 obese (body mass index > 30 kg/m2) patients who underwent laparoscopic (LPS) right or left ... ...

    Abstract AIM: To investigate the impact of laparoscopic colectomy on short and long-term outcomes in obese patients with colorectal diseases. METHODS: A total of 98 obese (body mass index > 30 kg/m2) patients who underwent laparoscopic (LPS) right or left colectomy over a 10 year period were identified from a prospective institutionally approved database and manually matched to obese patients who underwent open colectomy. Controls were selected to match for body mass index, site of primary disease, American Society of Anesthesiologists score, and year of surgery (± 3 year). The parameters analyzed included age, gender, comorbid conditions, American Society of Anaesthesiologists class, diagnosis, procedure, and duration of operation, operative blood loss, and amount of homologous blood transfused. Conversion rate, intra and postoperative complications as were as reoperation rate, 30 d and long-term morbidity rate were also analyzed. For continuous variables, the Student’s t test was used for normally distributed data the Mann-Whitney U test for non-normally distributed data. The Pearson’s χ2 tests, or the Fisher exact test as appropriate, were used for proportions. RESULTS: Conversion to open surgery was necessary in 13 of 98 patients (13.3%). In the LPS group, operative time was 29 min longer and blood loss was 78 mL lower when compared to open colectomy (P = 0.03, P = 0.0001, respectively). Overall morbidity, anastomotic leak and readmission rate did not significantly differ between the two groups. A trend toward a reduction of wound complications was observed in the LPS when compared to open group (P = 0.09). In the LPS group, an earlier recovery of bowel function (P = 0.001) and a shorter length of stay (P = 0.03) were observed. After a median follow-up of 62 (range 12-132) mo 23 patients in the LPS group and 38 in the open group experienced long-term complications (LPS vs open, P = 0.03). Incisional hernia resulted to be the most frequent long-term complication with a significantly higher occurrence in the open group when compared to the laparoscopic one (P = 0.03). CONCLUSION: Laparoscopic colectomy in obese patients is safe, does not jeopardize postoperative complications and resulted in lower incidence of long-term complications when compared with open cases.
    Keywords Obesity ; Colon cancer ; Laparoscopy ; Right colectomy ; Left colectomy ; Colorectal disease ; Diseases of the digestive system. Gastroenterology ; RC799-869 ; Specialties of internal medicine ; RC581-951 ; Internal medicine ; RC31-1245 ; Medicine ; R ; DOAJ:Gastroenterology ; DOAJ:Medicine (General) ; DOAJ:Health Sciences
    Subject code 610
    Language English
    Publishing date 2013-01-01T00:00:00Z
    Publisher Baishideng Publishing Group Co., Limited
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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