Alberto A C C Pais

Alberto A C C Pais
University of Coimbra | UC · Department of Chemistry

About

241
Publications
57,127
Reads
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5,683
Citations
Citations since 2016
91 Research Items
3573 Citations
20162017201820192020202120220200400600800
20162017201820192020202120220200400600800
20162017201820192020202120220200400600800
20162017201820192020202120220200400600800

Publications

Publications (241)
Article
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A properly designed nanosystem aims to deliver an optimized concentration of the active pharmaceutical ingredient (API) at the site of action, resulting in a therapeutic response with reduced adverse effects. Due to the vast availability of lipids and surfactants, producing stable lipid dispersions is a double-edged sword: on the one hand, the vers...
Article
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An Analytical Quality by Design (AQbD) approach is presented, aiming at the development and validation of an HPLC method for the quantification of disulfiram and copper diethyldithiocarbamate in lipid nanoparticles. Following the definition of the analytical target profile (ATP), encompassing the critical analytical attributes (CAA), a two-level ri...
Article
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The large-scale use of pesticides is one of the main causes of the dramatic degradation of our environment. Pesticides such as imidacloprid (IMID) have been linked to declines in bee health and toxicity to other beneficial insects. They pose a threat to human health due to their persistence in the environment and accumulation in the food chain. The...
Article
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Pesticides are widely used in agriculture to increase and protect crop production. A substantial percentage of the active substances applied is retained in the soil or flows into water courses, constituting a very relevant environmental problem. There are several methods for the removal of pesticides from soils and water; however, their efficiency...
Article
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Previous investigations have found that female voice-related attractiveness to males increases when both conception likelihood (CL) and voice fundamental frequency (fo) are elevated. To test this hypothesis, we conducted a perceptual experiment where 78 heterosexual males rated sexual attractiveness of 9 female voice samples, recorded at menstrual,...
Article
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Chemical pollution of water has raised great concerns among citizens, lawmakers, and nearly all manufacturing industries. As the legislation addressing liquid effluents becomes more stringent, water companies are increasingly scrutinized for their environmental performance. In this context, emergent contaminants represent a major challenge, and the...
Chapter
The blood–brain barrier (BBB) is essential for the regulation and maintenance of the neurological function and homeostasis of the brain, being a complex cellular system which strictly controls the transport of substances between the blood circulation and brain tissue. Several central nervous system (CNS) disorders may, however, lead to impairment i...
Article
Cationic compounds have been described to readily penetrate cell membranes. Assigning positive charge to nanosystems, e.g. lipid nanoparticles, has been identified as a key feature to promote electrostatic binding and design ligand-based constructs for tumour targeting. However, their intrinsic high cytotoxicity has hampered their biomedical applic...
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Purpose: Following the recent European Medicine Agency (EMA) draft guideline on quality and equivalence of topical products, a modular framework for bioequivalence assessment is proposed, wherein the qualitative, quantitative, microstructure and product performance sameness is demanded to support generic applications. Strict regulatory limits are...
Article
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A rapid reverse phase high-performance liquid chromatography (RP-HPLC) method was developed and validated for the simultaneous quantification of paracetamol, ibuprofen, olanzapine, simvastatin and simvastatin acid in the context of microalgae bioremediation. The method was validated according to the guidelines of the US Food and Drug Administration...
Chapter
Over the last years, drug repurposing has become a hot topic within the pharmaceutical industry and academia. In fact, several economic and time-related benefits are on the basis of this “old is the new gold” approach, as the new approval of marketed drugs in repositioning is faster and cheaper, when in comparison to the R&D of new chemical entitie...
Article
Ultra-small nanostructured lipid carriers (usNLCs) have been hypothesized to promote site-specific glioblastoma (GB) drug delivery. Envisioning a multitarget purpose towards tumor cells and microenvironment, a surface-bioconjugated usNLC prototype is herein presented. The comeback of co-delivery by repurposing atorvastatin and curcumin, as compleme...
Article
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Pharmaceuticals and their metabolites are released into the environment by domestic, hospital, and pharmaceutical industry wastewaters. Conventional wastewater treatment technology does not guarantee effluents of high quality, and apparently clean water may be loaded with pollutants. In this study, we assess the performance and efficiency of free a...
Article
In 2004, the Food and Drug Administration established the foundations for the application of process analytical technologies (PAT) in real-time control of the drug manufacturing process, where progress has been essentially directed to solid formulations. In order to enlarge the application of PAT principles to injectable drug products, the developm...
Article
Ultra-small nanostructured lipid carriers (usNLCs) are stable, biocompatible and biodegradable colloidal systems, claiming a broad set of advanced features suitable for cancer drug delivery. To unleash their potential in glioblastoma research and therapy, we have developed an usNLC prototype able to co-encapsulate atorvastatin calcium and curcumin,...
Article
The main bottleneck of glioblastoma still relies on the existence of the blood brain-blood brain tumor dual barrier, along with the lack of therapy specificity. The present work deals with the question of whether (and how) different targeting hyaluronic acid (HA)-peptide [c(RGDfK) and/or H7K(R2)2] moieties hierarchically interact with each other, t...
Article
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The interaction between polyelectrolytes and metal ions is governed by different types of interactions, leading to the formation of different phases, from liquid state to weak gels, through an appropriate choice of metal ion/polyelectrolyte molar ratio. We have found that lanthanide ions, europium(III) and terbium(III), are able to form polymer com...
Chapter
Microalgae represent a new source of biomass for many applications. The advantage of microalgae over higher plants is their high productivities. The photoautotrophic microalgae include all photosynthetic microorganisms, i.e. Cya-nobacteria (prokaryotes) or microalgae (eukaryotes). These microorganisms are characterized by a large biodiversity and c...
Chapter
Targeted drug delivery systems hold great promise as potential therapeutic strategies against cancer, as they preferentially accumulate at tumor sites and reduce drug-related adverse effects. Among nano-sized systems, cell membrane-coated nanoparticles 76have emerged as a new class of biomimetic strategies, which combine the technological advantage...
Article
Gram-negative bacteria and bacteria in biofilms are very difficult to eradicate and are at the origin of the most antibiotic-resistant bacteria. Therapeutic alternatives less susceptible to mechanisms of resistance are urgently needed to respond to an alarming increase of resistant nosocomial infections. Antibacterial photodynamic inactivation (PDI...
Article
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Technological development is in constant progress in the oncological field. The search for new concepts and strategies for improving cancer diagnosis, treatment and outcomes constitutes a necessary and continuous process, aiming at more specificity, efficiency, safety and better quality of life of the patients throughout the treatment. Nanotechnolo...
Chapter
Glioblastoma is the most common primary and aggressive brain tumor, with an increasing incidence worldwide. The prognosis of this disease is still poor, with a median survival time not exceeding 2 years. Standard-of-care therapy includes surgical resection, radio- and chemotherapy, but nearly all patients experience progression of the disease. This...
Chapter
Inadequate therapies and clinical methods for overcoming multidrug-resistant cancer constitute the major barrier for cancer treatment. Also, early detection of this disease is fundamental and new nanotechnologies emerge with clear relevance. Considering their distinctive chemical and physical properties, plasmonic nanoparticles have been proposed a...
Article
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Computational Chemistry is currently a synergistic assembly between ab initio calculations, simulation, machine learning (ML) and optimization strategies for describing, solving and predicting chemical data and related phenomena. These include accelerated literature searches, analysis and prediction of physical and quantum chemical properties, tran...
Article
The EMA draft guideline on quality and equivalence of topical products and the FDA non-binding product specific guidances release has encouraged the establishment of a regulatory background for in vitro release testing (IVRT). Herein, a novel framework applicable to the development of a discriminatory IVRT method is described, according to analytic...
Chapter
Efficient intracellular delivery of small-interfering ribonucleic acid (siRNA) to the target organ or tissues in the body is assumed as the main hurdle for a widespread use of siRNAs in the clinics. Solid lipid-based nanoparticles (SLNs) and derivatives can potentially fit this purpose by enabling to overcome the extracellular and intracellular phy...
Article
Aptamers are single-stranded RNA or DNA molecules that specifically recognize their targets and have proven valuable for functionalizing sensitive biosensors. α-thrombin is a trypsin-like serine proteinase which plays a crucial role in haemostasis and thrombosis. An abnormal activity or overexpression of this protein is associated with a variety of...
Article
The synthesis of carbocyclic‐fused chromene derivatives based on allene chemistry is described. The phosphane‐catalyzed [3+2] annulation reactions of allenic esters with 3‐nitrochromenes have been established affording 3a‐nitro‐tetrahydrocyclopenta[c]chromenes in good yields (up to 87%) with high stereo‐ and regioselectivity. Quantum chemical calcu...
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Endocrine disrupting chemicals are a group of pollutants that can affect the endocrine system and lead to diseases and dysfunctions across the lifespan of organisms. They are omnipresent. They are in the air we breathe, in the food we eat and in the water we drink. They can be found in our everyday lives through personal care products, household cl...
Article
A series of new photoluminescent composites containing Eu3+ and Tb3+ were synthetized by using two different ligands: poly(sodium acrylate) (PSA) - used as a polymeric matrix - and 1,10-phenthroline (Phen) as a co-ligand. Furthermore, composites containing both lanthanide ions Eu3+ and Tb3+ were also prepared. The composites show excellent luminesc...
Article
Aerosol antibiotics are an interesting alternative to oral or intravenous therapy in Cystic Fibrosis lung infections. Levofloxacin (LVX) inhaled solution is already an effective option. In this study, the aim was the development of LVX-loaded PLGA microspheres (MS) for pulmonary administration as a dry powder. MS were prepared, for the first time,...
Article
The current study describes the application of an Analytical Quality by Design (AQbD) approach for the selection and optimization of a reversed-phase high performance liquid chromatography (RP-HPLC) method to simultaneously quantify curcumin, atorvastatin calcium and celecoxib in lipid nanoparticles. Risk assessment was carried out to set the risk...
Article
Epilepsy is the most common chronic brain disorder and affects millions of people worldwide. Carbamazepine (CBZ) is one of the first-line pharmacological therapy instituted to patients due to its wide spectrum of action. Although marketed for more than 30 years, CBZ efficacy is strongly limited by its lateral effects, and variable and slow intestin...
Article
In recent years, several efforts have been made for developing simple and cost-effective strategies for eliminating multiple organic and inorganic pollutants from wastewater. Pharmaceuticals, dyes and heavy metals expelled from pharmaceutical and textile industries, frequently coexist in wastewater and exhibit different complex properties, which ma...
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The poor prognosis and rapid recurrence of glioblastoma (GB) are associated to its fast-growing process and invasive nature, which make difficult the complete removal of the cancer infiltrated tissues. Additionally, GB heterogeneity within and between patients demands a patient-focused method of treatment. Thus, the implementation of nanotechnology...
Article
A library of new chiral thiazolidines was prepared starting from L-cysteine and D-penicillamine in a simple, one-step procedure. 2-Arylthiazolidines were obtained, as diastereoisomeric mixtures, with good yields and in short reaction times, through a new and greener procedure, using microwave irradiation. Their use as chiral ligands in the enantios...
Article
Cyclodextrins (Cds) are versatile carbohydrate hosts for developing multifunctional nanostructures of pharmaceutical interest. Factors affecting the thermodynamic signatures and stability of β- and γ-Cd complexes are detailed at the atomic level. The MD/PMF-based method is combined with the description of the nature and strength of the inter-partne...
Cover Page
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Hydrogel nanoparticles and nanostructured drug delivery systems incorporated in hydrogels provide safer and more effective strategies than those of conventional chemotherapeutic regimens. The nanoparticles may be systemically administered, using targeting moieties to identify and efficiently kill tumor cells. Hydrogels, due to the macroscopic size...
Article
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An unprecedented palladium-catalysed sequential aminocarbonylation/cyclization synthetic strategy, using carbon monoxide and structurally different aliphatic diamines as N-nucleophiles, gives access, in one pot, to a new family of indole-based N-heterocyclic derivatives (hydropyrazinones, benzodiazepinones and hydroquinoxalines). Optimization of th...
Article
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Several scientific areas have benefited significantly from the introduction of nanotechnology and the respective evolution. This is especially noteworthy in the development of new drug substances and products. This review focuses on the introduction of nanomedicines in the pharmaceutical market, and all the controversy associated to basic concepts...
Article
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A simple reliable method with fast response for lipid detection and quantification is proposed, combining a new highly lipophilic fluorescent probe BODIPY BD-C12 and image analysis to determine the algal lipid content and the lipid production in the microalgae Nannochloropsis sp. Lipid bodies stained with BODIPY BD-C12 have a characteristic multico...
Article
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Chemotherapy is commonly associated with limited effectiveness and unwanted side effects in normal cells and tissues, due to the lack of specificity of therapeutic agents to cancer cells when systemically administered. In brain tumors, the existence of both physiological barriers that protect tumor cells and complex resistance mechanisms to antican...
Article
Adsorption of polyions onto charged surfaces has long been recognized as a crucial phenomenon in biological and technological applications. An intuitive model relating polyelectrolyte adsorption with the imposed features of polarizable surfaces of different compositions and charges is proposed based on Monte Carlo simulations using a coarse-grained...
Article
We have employed simple model potentials and an evolutionary algorithm to assess the low-energy landscape of clusters resulting from the self-assembling of oppositely charged particles in two-dimensions (2D). The global minimum structures were obtained by employing an evolutionary algorithm (EA), which has been adapted to deal with planar clusters....
Article
Excitation-Emission fluorescence spectroscopy is a versatile technique and has been used to detect, characterize and quantify residual Dissolved Organic Matter (DOM) in aquatic domains. PARAllel FACtor Analysis (PARAFAC) has been extensively used in the analysis of excitation-emission matrices (EEM), allowing for a better identification and quantif...
Article
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Cellulose and cyclodextrins possess unique properties that can be tailored, combined and used in a considerable number of applications, including textiles, coatings, sensors and drug delivery systems. Successfully structuring and applying cellulose and cyclodextrins conjugates requires a deep understanding of the relation between structural, and so...
Article
Designing nanoparticle formulations with features tailored to their therapeutic targets in demanding timelines assumes increased importance. In this context, nanostructured lipid carriers (NLCs) offer an excellent example of a drug delivery nanosystem that has been broadly explored in the treatment of glioblastoma multiforme (GBM). Distinct fundame...
Article
Glioblastoma multiforme is the most common, aggressive and lethal type of brain tumor. It is a stage IV cancer disease with a poor prognosis, as the current therapeutic options (surgery, radiotherapy and chemotherapy) are not able to eradicate tumor cells. The approach to treat glioblastoma has not suffered major changes over the last decade and te...
Article
Supramolecular gels are an important class of soft materials: they are basically formed by solvent molecules inside in a 3D network structure and can be considered from soft and weak to hard and tough, depending on the respective mechanical properties. The gelation process can be accomplished in different ways using, for example, the interaction be...
Chapter
The aggregation of cyclodextrins (CD) in aqueous solution is an old, yet still vastly unexplored topic that has been studied at least since the 1980s. At that time, few authors took into consideration the possibility of formation of aggregates for the interpretation of thermodynamic and thermophysical properties of CDs in aqueous solution. The aggr...
Article
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Fluoropyrimidines, such as 5-fluorouracil (5-FU) and related prodrugs, are considered one of the most successful agents in the treatment of colorectal cancer, yet poor specificity and tumor cell resistance remain the major limiting bottlenecks. Here, we exploited for the first time the ability of two DNA nanoscaffolds, a DNA tetrahedron (Td) and re...
Article
The critical roles of solvent, enthalpic, and entropic contributions in complexes between different hyaluronic acid derivatives bearing monomeric β-cyclodextrin and adamantene moieties are assessed combining our previously designed free energy oriented method and a recently proposed density-based noncovalent interaction analysis. This establishes t...
Article
Surface modification of ultra-small nanostructured lipid carriers (usNLC) via introduction of a positive charge is hypothesized to prompt site-specific drug delivery for glioblastoma multiforme (GBM) treatment. A more effective interaction with negatively charged lipid bilayers, including the blood-brain barrier (BBB), will facilitate the nanoparti...
Article
Full-text available
The understanding of the dynamical and mechanistic aspects that lie behind siRNA-based gene regulation is a requisite to boost the performance of siRNA therapeutics. A systematic experimental and computational study on the 3’-overhang structural requirements for the design of more specific and potent siRNA molecules was carried out using nucleotide...
Cover Page
The chemical modification of small interfering RNA (siRNA) is a prerequisite to boost its therapeutic performance. A rational approach was conducted to design safe and powerful siRNA molecules by modifying siRNA 3’-overhangs with nucleotide analogues differing in structural parameters. Experimental results and Molecular Dynamics simulation consiste...