Search Results - "Cova, Tânia"

Deep Learning for Deep Chemistry: Optimizing the Prediction of Chemical Patterns by Cova, Tânia F G G, Pais, Alberto A C C

“…Computational Chemistry is currently a synergistic assembly between calculations, simulation, machine learning (ML) and optimization strategies for describing,…”
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Drastic Stabilization of Junction Nodes in Supramolecular Structures Based on Host–Guest Complexes by Cova, Tânia F. G. G, Milne, Bruce F, Nunes, Sandra C. C, Pais, Alberto A. C. C

“…The critical roles of solvent, enthalpic, and entropic contributions in complexes between different hyaluronic acid derivatives bearing monomeric…”
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Exploring PAZ/3'-overhang interaction to improve siRNA specificity. A combined experimental and modeling study by Alagia, Adele, Jorge, Andreia F, Aviñó, Anna, Cova, Tânia F G G, Crehuet, Ramon, Grijalvo, Santiago, Pais, Alberto A C C, Eritja, Ramon

“…The understanding of the dynamical and mechanistic aspects that lie behind siRNA-based gene regulation is a requisite to boost the performance of siRNA…”
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Reconstructing the historical synthesis of mauveine from Perkin and Caro: procedure and details by Cova, Tânia F. G. G., Pais, Alberto A. C. C., Seixas de Melo, J. Sérgio

“…Mauveine, an iconic dye, first synthesised in 1856 still has secrets to unveil. If nowadays one wanted to prepare the original Perkin’s mauveine, what would be…”
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Diving into Batch-to-Batch Variability of Topical Products-a Regulatory Bottleneck by Miranda, Margarida, Cova, Tânia, Augusto, Cátia, Pais, Alberto A. C. C., Cardoso, Catarina, Vitorino, Carla

“…Purpose Following the recent European Medicine Agency (EMA) draft guideline on quality and equivalence of topical products, a modular framework for…”
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Aptamer-peptide conjugates as a new strategy to modulate human α-thrombin binding affinity by Aviñó, Anna, Jorge, Andreia F., Huertas, César S., Cova, Tânia F.G.G., Pais, Alberto, Lechuga, Laura M., Eritja, Ramon, Fabrega, Carme

“…Aptamers are single-stranded RNA or DNA molecules that specifically recognize their targets and have proven valuable for functionalizing sensitive biosensors…”
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Computational Approaches in Theranostics: Mining and Predicting Cancer Data by Cova, Tânia F G G, Bento, Daniel J, Nunes, Sandra C C

“…The ability to understand the complexity of cancer-related data has been prompted by the applications of (1) computer and data sciences, including data mining,…”
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Reusable and effective polyacrylic membranes for mecoprop and bentazon extractions by Utzeri, Gianluca, Guirado-Moreno, José Carlos, Cova, Tânia F. G. G., Pais, Alberto A. A. C., Batista De Carvalho, Luis A. E., Ibeas, Saturnino, García, José M., Valente, Artur J. M., Vallejos, Saúl

“…This study introduces reusable polyacrylic membranes, fabricated from commercially available monomers (1-vinyl-2-pyrrolidone and methylmethacrylate), as a…”
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A new perspective on correlated polyelectrolyte adsorption: positioning, conformation, and patterns by Nunes, Sandra C C, Cova, Tânia F G G, Pais, A A C C

“…This work focuses on multiple chain deposition, using a coarse-grained model. The phenomenon is assessed from a novel perspective which emphasizes the…”
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Monitoring oil production for biobased feedstock in the microalga Nannochloropsis sp.: a novel method combining the BODIPY BD-C12 fluorescent probe and simple image processing by Encarnação, Telma, Arranja, Cláudia T., Cova, Tânia F. G. G., Pais, Alberto A. C. C., Campos, Maria G., Sobral, Abílio J. F. N., Burrows, Hugh D.

“…A simple reliable method with fast response for lipid detection and quantification is proposed, combining a new highly lipophilic fluorescent probe BODIPY…”
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Cooperative action in DNA condensation by Jorge, Andreia F., Nunes, Sandra C.C., Cova, Tânia F.G.G., Pais, Alberto A.C.C.

“…In this review we address the two main sets of strategies for DNA compaction and condensation, those based on electrostatic interactions and those based on…”
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Lysine-based surfactants as chemical permeation enhancers for dermal delivery of local anesthetics by Teixeira, Raquel S., Cova, Tânia F.G.G., Silva, Sérgio M.C., Oliveira, Rita, Araújo, Maria J., Marques, Eduardo F., Pais, Alberto A.C.C., Veiga, Francisco J.B.

“…[Display omitted] The aim of this study is to investigate the efficacy of new, biocompatible, lysine-based surfactants as chemical permeation enhancers for two…”
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Bambusurils as effective ion caging agents: Does desolvation guide conformation? by Cova, Tânia F.G.G., Nunes, Sandra C.C., Pinho e Melo, Teresa M.V.D., Pais, Alberto A.C.C.

“…[Display omitted] •Water-soluble bambusurils are effective anion caging agents.•Small anions are hermetically sealed inside the bambusuril cavity.•A concerted…”
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Novel serine-based gemini surfactants as chemical permeation enhancers of local anesthetics: A comprehensive study on structure–activity relationships, molecular dynamics and dermal delivery by Teixeira, Raquel S., Cova, Tânia F.G.G., Silva, Sérgio M.C., Oliveira, Rita, do Vale, M. Luísa C., Marques, Eduardo F., Pais, Alberto A.C.C., Veiga, Francisco J.B.

“…[Display omitted] •The efficacy of several serine-based surfactants as CPE has been evaluated.•The surfactants do not have significantly damaged the skin…”
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Probing metal cations with two new Schiff base bischromophoric pyrene based chemosensors: Synthesis, photophysics and interactions patterns by de Castro, Catherine S., Cova, Tânia F.G.G., Pais, Alberto C.C., Pinheiro, Daniela, Nuñez, Cristina, Lodeiro, Carlos, Seixas de Melo, J. Sérgio

“…Two new pyrene chemosensors (bipyrenyl ligands L1 and L2) have been synthesized, fully characterized and their sensing ability towards metal cations (Cu2+,…”
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Iberian universities: a characterisation from ESI rankings by Cova, Tânia F. G. G., Pais, Alberto A. C. C., Formosinho, Sebastião J.

“…The access to bibliographic and citation databases allows to evaluate scientific performance, and provides useful means of general characterisation. In this…”
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Seeing is believing: A graphical reference framework for multi-criteria evaluation by Cova, Tânia F.G.G., Jarmelo, Susana, Nunes, Sandra C.C., Formosinho, Sebastião J., de Melo, J. Sérgio Seixas, Pais, Alberto

“…This work proposes a method for assessment of evaluation processes, applicable to systems in which both measurable and policy-based performance criteria…”
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Is standard multivariate analysis sufficient in clinical and epidemiological studies? by Cova, Tânia F.G.G., Pereira, Jorge L.G.F.S.C., Pais, Alberto A.C.C.

“…[Display omitted] ► PCA and HCA techniques are clearly advisable in cancer diagnosis studies. ► A self-consistent noise reduction filter emphasizes the…”
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Biomimeting ultra-small lipid nanoconstructs for glioblastoma treatment: A computationally guided experimental approach by Mendes, Maria, Basso, João, Silva, Jessica, Cova, Tânia, Sousa, João, Pais, Alberto, Vitorino, Carla

“…[Display omitted] Ultra-small nanostructured lipid carriers (usNLCs) are stable, biocompatible and biodegradable colloidal systems, claiming a broad set of…”
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Host flexibility and space filling in supramolecular complexation of cyclodextrins: A free-energy-oriented approach by Cova, Tânia F., Milne, Bruce F., Pais, Alberto A.C.C.

“…[Display omitted] •Distortion in γ-Cd opposes inclusion and binding.•Distortion is not significant in β-Cd, and larger guests promote higher binding…”
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