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Titolo: Self-assembling Nanotechnology for Cancer Personalized Medicine
Abstract: Theranostics is a new field of medicine, which combines specific targeted therapies and diagnostic tests. With a key focus on patient centered care, theranostics provides a transition from conventional medicine to a contemporary personalized and precision medicine approach. The theranostic paradigm in cancer involves nanoscience to unite diagnostic and therapeutic applications to form nanosized agents for diagnosis, drug/gene delivery and treatment response monitoring. These nanocarriers can indeed be engineered to precisely control drug/gene/sensor-release rate and/or target specific organs/tissues within the body with a specific amount of therapeutic/diagnostic agent. In order to fulfill these expectations, any nanovector system must be designed to transport the optimum amount of therapeutic/diagnostic cargo to the desired target site where the active principle is to be released at an optimal rate during a specific time window. Keeping the promises of theranostics is a current formidable challenge in (bio)nanotechnology, and major efforts are devoted to the design of integrated multifunctional and multivalent nanovectors able to provide selective recognition combined with sustained release and/or diagnostic reporting. In this contribution, the pathway leading to two types of nanosystems obtained by exploiting the quintessence of nanotechnology, i.e., the self-assembling process of small, amphiphilic molecules, is reported. Depending on the specific chemistry adopted, these nanomicelles are able to perform specific and effective gene silencing via targeted small interfering RNA (siRNA) delivery, and provide PET images with significantly superior imaging quality relating
to sensitivity, specificity and accuracy when compared to the clinical standard [18F]FDG.
Titolo: A comparative study of nanocomposites based on a recycled poly(methyl methacrylate) matrix containing several nanoclays.
Titolo: Structure and energetics of biocompatible polymer nanocomposite sistems: a molecular dynamics study
Abstract: Isothermal-isobaric (NPT) molecular dynamics simulations have been performed to investigate the structure, morphology, and energetics of polymer organoclay nanocomposites based on seven nonsteroidal anti-inflammatory drugs (NSAIDs), two biocompatible polymers, and hydrotalcite as the clay mineral, both in an anhydrous and in a solvated environment. The results of our theoretical computations show that nanoconfined conformations of smaller NSAIDs are more affected by the presence of water molecules in the clay gallery with respect to their larger counterparts. Moreover, the presence of water in the mineral interlayer space decreases the interaction energy between the NSAID molecules and the clay, and this detrimental effect is further enhanced by the presence of polar moieties onto the NSAIDs. Finally, from the thermodynamics standpoint, the best intercalation results in a solvated environment could be obtained with PVA in the case of less polar drugs, while PHB could be the polymer of choice in the case of highly polar NSAIDs.
Titolo: Anticancer drug nanomicelles formed by self-assembling amphiphilic dendrimer to combat cancer drug resistance
Abstract: Drug resistance and toxicity constitute challenging hurdles for cancer therapy. The application of nanotechnology for anticancer drug delivery is expected to address these issues and bring new hope for cancer treatment. In this context, we established an original nanomicellar drug delivery system based on an amphiphilic dendrimer (AmDM), which could generate supramolecular micelles to effectively encapsulate the anticancer drug doxorubicin (DOX) with high drug-loading capacity (>40%), thanks to the unique dendritic structure creating large void space for drug accommodation. The resulting AmDM/DOX nanomicelles were able to enhance drug potency and combat doxorubicin resistance in breast cancer models by significantly enhancing cellular uptake while considerably decreasing efflux of the drug. In addition, the AmDM/DOX nanoparticles abolished significantly the toxicity related to the free drug. Collectively, our studies demonstrate that the drug delivery system based on nanomicelles formed with the self-assembling amphiphilic dendrimer constitutes a promising and effective drug carrier in cancer therapy.
Titolo: Beyond patterns to mechanisms. Multiscale molecular simulations of nanoparticles/block copolymers self-assembled bulk nanocomposites
Titolo: A complete multiscale modeling approach for nanocomposites
Titolo: Odor emission removal from gaseous streams by the use of zeolites: A molecular simulation approach
Titolo: CAPE OPEN Modules for the process sustainability prediction framework-description and applications
Titolo: Evaluation of the solubility of organic compounds in supercritical fluids.