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  1. Article ; Online: Isolation of bluish anthocyanin-derived pigments obtained from blueberry surplus using centrifugal partition chromatography

    Nunes, Ana N. / Ivasiv, Viktoriya / Gouveia, Luís F. / Fernández, Naiara / Oliveira, Joana / Bronze, Maria Rosário / Matias, Ana A.

    Journal of Chromatography A. 2023 Aug., v. 1705 p.464150-

    2023  

    Abstract: Replacement of synthetic colorants with natural ones is a current marketing trend. Nevertheless, the naturally occurring blue color is rare compared to other colours. In this work, centrifugal partition chromatography (CPC) process was developed as a ... ...

    Abstract Replacement of synthetic colorants with natural ones is a current marketing trend. Nevertheless, the naturally occurring blue color is rare compared to other colours. In this work, centrifugal partition chromatography (CPC) process was developed as a more efficient and sustainable alternative to reversed phase column chromatography (RP-CC) for the preparative-scale purification of portisins. The strategy began with the extraction of anthocyanins from blueberry surplus and hemi-synthesis of respective portisins. Then, the CPC method development started with the biphasic solvent system selection followed by the optimization of the operating parameters and ended up with a comparison with RP-CC. Aiming at maximizing the portisin content, process throughput, efficiency, and minimizing the environmental risk factor, the effect of sample load (100–500 mg/100 mL of column volume), mobile phase flow rate (10–20 mL/min), and rotation speed (1000–1600 rpm) was evaluated. The two-phase solvent system consisted of tert‑butyl‑methyl ether, n-butanol, acetonitrile, and water (volume ratio 2:2:1:5) acidified with 0.1 vol.% of HCl was selected. The best conditions were 464 mg of sample/100 mL of column volume, 20 mL/min of mobile phase flow rate, and 1600 rpm of rotation speed at reversed phase mode, allowing the purification of portisins by 5-fold. Compared to the RP-CC, the CPC process efficiency was 2.4 times higher, while the CPC process environmental risk factor was 5.5 times lower. Overall, this study suggests that CPC can be considered an effective, and sustainable alternative process for the preparative isolation of portisins. With this purification approach, the blueberry surplus has been valorized and a naturally derived product has been prepared, allowing its subsequent use as a natural blue colorant.
    Keywords acetonitrile ; anthocyanins ; blueberries ; butanol ; color ; countercurrent chromatography ; dyes ; risk factors ; solvents ; Centrifugal partition chromatography ; Portisin ; Bluish pigment ; Blueberry residues valorization
    Language English
    Dates of publication 2023-08
    Publishing place Elsevier B.V.
    Document type Article ; Online
    ZDB-ID 218139-3
    ISSN 0021-9673 ; 0378-4355 ; 0376-737X
    ISSN 0021-9673 ; 0378-4355 ; 0376-737X
    DOI 10.1016/j.chroma.2023.464150
    Database NAL-Catalogue (AGRICOLA)

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  2. Article ; Online: Isolation of bluish anthocyanin-derived pigments obtained from blueberry surplus using centrifugal partition chromatography.

    Nunes, Ana N / Ivasiv, Viktoriya / Gouveia, Luís F / Fernández, Naiara / Oliveira, Joana / Bronze, Maria Rosário / Matias, Ana A

    Journal of chromatography. A

    2023  Volume 1705, Page(s) 464150

    Abstract: Replacement of synthetic colorants with natural ones is a current marketing trend. Nevertheless, the naturally occurring blue color is rare compared to other colours. In this work, centrifugal partition chromatography (CPC) process was developed as a ... ...

    Abstract Replacement of synthetic colorants with natural ones is a current marketing trend. Nevertheless, the naturally occurring blue color is rare compared to other colours. In this work, centrifugal partition chromatography (CPC) process was developed as a more efficient and sustainable alternative to reversed phase column chromatography (RP-CC) for the preparative-scale purification of portisins. The strategy began with the extraction of anthocyanins from blueberry surplus and hemi-synthesis of respective portisins. Then, the CPC method development started with the biphasic solvent system selection followed by the optimization of the operating parameters and ended up with a comparison with RP-CC. Aiming at maximizing the portisin content, process throughput, efficiency, and minimizing the environmental risk factor, the effect of sample load (100-500 mg/100 mL of column volume), mobile phase flow rate (10-20 mL/min), and rotation speed (1000-1600 rpm) was evaluated. The two-phase solvent system consisted of tert‑butyl‑methyl ether, n-butanol, acetonitrile, and water (volume ratio 2:2:1:5) acidified with 0.1 vol.% of HCl was selected. The best conditions were 464 mg of sample/100 mL of column volume, 20 mL/min of mobile phase flow rate, and 1600 rpm of rotation speed at reversed phase mode, allowing the purification of portisins by 5-fold. Compared to the RP-CC, the CPC process efficiency was 2.4 times higher, while the CPC process environmental risk factor was 5.5 times lower. Overall, this study suggests that CPC can be considered an effective, and sustainable alternative process for the preparative isolation of portisins. With this purification approach, the blueberry surplus has been valorized and a naturally derived product has been prepared, allowing its subsequent use as a natural blue colorant.
    MeSH term(s) Anthocyanins ; Blueberry Plants ; Chromatography, Liquid/methods ; Solvents/chemistry ; Plant Extracts/chemistry
    Chemical Substances Anthocyanins ; Solvents ; Plant Extracts
    Language English
    Publishing date 2023-06-10
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 1171488-8
    ISSN 1873-3778 ; 0021-9673
    ISSN (online) 1873-3778
    ISSN 0021-9673
    DOI 10.1016/j.chroma.2023.464150
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Machine Learning-Assisted Optimization of Drug Combinations in Zeolite-Based Delivery Systems for Melanoma Therapy.

    Bertão, Ana Raquel / Teixeira, Filipe / Ivasiv, Viktoriya / Parpot, Pier / Almeida-Aguiar, Cristina / Fonseca, António M / Bañobre-López, Manuel / Baltazar, Fátima / Neves, Isabel C

    ACS applied materials & interfaces

    2024  Volume 16, Issue 5, Page(s) 5696–5707

    Abstract: Two independent artificial neural network (ANN) models were used to determine the optimal drug combination of zeolite-based delivery systems (ZDS) for cancer therapy. The systems were based on the NaY zeolite using silver ( ... ...

    Abstract Two independent artificial neural network (ANN) models were used to determine the optimal drug combination of zeolite-based delivery systems (ZDS) for cancer therapy. The systems were based on the NaY zeolite using silver (Ag
    MeSH term(s) Humans ; Silver/pharmacology ; Silver/chemistry ; Staphylococcus aureus ; Zeolites/chemistry ; Escherichia coli ; Melanoma/drug therapy ; Fluorouracil/pharmacology ; Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/chemistry
    Chemical Substances Silver (3M4G523W1G) ; Zeolites (1318-02-1) ; Fluorouracil (U3P01618RT) ; Anti-Bacterial Agents
    Language English
    Publishing date 2024-01-25
    Publishing country United States
    Document type Journal Article
    ISSN 1944-8252
    ISSN (online) 1944-8252
    DOI 10.1021/acsami.3c18224
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Correction to "Machine Learning-Assisted Optimization of Drug Combinations in Zeolite-Based Delivery Systems for Melanoma Therapy".

    Bertão, Ana Raquel / Teixeira, Filipe / Ivasiv, Viktoriya / Parpot, Pier / Almeida-Aguiar, Cristina / Fonseca, António M / Bañobre-López, Manuel / Baltazar, Fátima / Neves, Isabel C

    ACS applied materials & interfaces

    2024  Volume 16, Issue 13, Page(s) 17067

    Language English
    Publishing date 2024-03-19
    Publishing country United States
    Document type Published Erratum
    ISSN 1944-8252
    ISSN (online) 1944-8252
    DOI 10.1021/acsami.4c04116
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Molecular Hybridization as a Tool for Designing Multitarget Drug Candidates for Complex Diseases.

    Ivasiv, Viktoriya / Albertini, Claudia / Gonçalves, Ana E / Rossi, Michele / Bolognesi, Maria L

    Current topics in medicinal chemistry

    2019  Volume 19, Issue 19, Page(s) 1694–1711

    Abstract: Molecular hybridization is a well-exploited medicinal chemistry strategy that aims to combine two molecules (or parts of them) in a new, single chemical entity. Recently, it has been recognized as an effective approach to design ligands able to modulate ... ...

    Abstract Molecular hybridization is a well-exploited medicinal chemistry strategy that aims to combine two molecules (or parts of them) in a new, single chemical entity. Recently, it has been recognized as an effective approach to design ligands able to modulate multiple targets of interest. Hybrid compounds can be obtained by linking (presence of a linker) or framework integration (merging or fusing) strategies. Although very promising to combat the multifactorial nature of complex diseases, the development of molecular hybrids faces the critical issues of selecting the right target combination and the achievement of a balanced activity towards them, while maintaining drug-like-properties. In this review, we present recent case histories from our own research group that demonstrate why and how molecular hybridization can be carried out to address the challenges of multitarget drug discovery in two therapeutic areas that are Alzheimer's and parasitic diseases. Selected examples spanning from linker- to fragment- based hybrids will allow to discuss issues and consequences relevant to drug design.
    MeSH term(s) Alzheimer Disease/drug therapy ; Animals ; Antiprotozoal Agents/therapeutic use ; Antipsychotic Agents/therapeutic use ; Chemistry, Pharmaceutical ; Drug Design ; Humans ; Ligands ; Molecular Structure ; Parasitic Diseases/drug therapy
    Chemical Substances Antiprotozoal Agents ; Antipsychotic Agents ; Ligands
    Language English
    Publishing date 2019-06-24
    Publishing country United Arab Emirates
    Document type Journal Article ; Review
    ZDB-ID 2064823-6
    ISSN 1873-4294 ; 1568-0266
    ISSN (online) 1873-4294
    ISSN 1568-0266
    DOI 10.2174/1568026619666190619115735
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: Chicory Extracts and Sesquiterpene Lactones Show Potent Activity against Bacterial and Fungal Pathogens.

    Häkkinen, Suvi T / Soković, Marina / Nohynek, Liisa / Ćirić, Ana / Ivanov, Marija / Stojković, Dejan / Tsitko, Irina / Matos, Melanie / Baixinho, João P / Ivasiv, Viktoriya / Fernández, Naiara / Nunes Dos Santos, Claudia / Oksman-Caldentey, Kirsi-Marja

    Pharmaceuticals (Basel, Switzerland)

    2021  Volume 14, Issue 9

    Abstract: Chicory ( ...

    Abstract Chicory (
    Language English
    Publishing date 2021-09-20
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2193542-7
    ISSN 1424-8247
    ISSN 1424-8247
    DOI 10.3390/ph14090941
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Supercritical CO

    Baixinho, João P / Anastácio, José D / Ivasiv, Viktoriya / Cankar, Katarina / Bosch, Dirk / Menezes, Regina / de Roode, Matthew / Santos, Cláudia Nunes Dos / Matias, Ana A / Fernández, Naiara

    Molecules (Basel, Switzerland)

    2021  Volume 26, Issue 9

    Abstract: Cichorium intybus ... ...

    Abstract Cichorium intybus L
    MeSH term(s) Anti-Inflammatory Agents/chemistry ; Anti-Inflammatory Agents/isolation & purification ; Anti-Inflammatory Agents/pharmacology ; Carbon Dioxide/chemistry ; Chemical Fractionation ; Cichorium intybus/chemistry ; Humans ; Lactones/chemistry ; Lactones/pharmacology ; Molecular Structure ; Phytochemicals/chemistry ; Phytochemicals/pharmacology ; Plant Extracts/chemistry ; Plant Extracts/pharmacology ; Plant Roots/chemistry ; Sesquiterpenes/chemistry ; Sesquiterpenes/pharmacology ; Spectrum Analysis
    Chemical Substances Anti-Inflammatory Agents ; Lactones ; Phytochemicals ; Plant Extracts ; Sesquiterpenes ; Carbon Dioxide (142M471B3J)
    Language English
    Publishing date 2021-04-28
    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/molecules26092583
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Supercritical CO2 Extraction as a Tool to Isolate Anti-Inflammatory Sesquiterpene Lactones from Cichorium intybus L. Roots

    Baixinho, Joäo P. / Anastácio, José D. / Ivasiv, Viktoriya / Cankar, K. / Bosch, H.J. / Menezes, Regina / de Roode, M. / Nunes dos Santos, Cláudia / Matias, Ana A. / Fernández, Naiara

    Molecules

    2021  Volume 26, Issue 9

    Abstract: Cichorium intybus L. or chicory plants are a natural source of health-promoting compounds in the form of supplements such as inulin, as well as other bioactive compounds such as sesquiterpene lactones (SLs). After inulin extraction, chicory roots are ... ...

    Abstract Cichorium intybus L. or chicory plants are a natural source of health-promoting compounds in the form of supplements such as inulin, as well as other bioactive compounds such as sesquiterpene lactones (SLs). After inulin extraction, chicory roots are considered waste, with most SLs not being harnessed. We developed and optimized a new strategy for SL extraction that can contribute to the conversion of chicory root waste into valuable products to be used in human health-promoting applications. In our work, rich fractions of SLs were recovered from chicory roots using supercritical CO2. A response surface methodology was used to optimize the process parameters (pressure, temperature, flow rate, and co-solvent percentage) for the extraction performance. The best operating conditions were achieved at 350 bar, 40 °C, and 10% EtOH as a co-solvent in a 15 g/min flow rate for 120 min. The extraction with supercritical CO2 revealed to be more selective for the SLs than the conventional solid–liquid extraction with ethyl acetate. In our work, 1.68% mass and a 0.09% sesquiterpenes yield extraction were obtained, including the recovery of two sesquiterpene lactones (8-deoxylactucin and 11β,13-dihydro-8-deoxylactucin), which, to the best of our knowledge, are not commercially available. A mixture of the abovementioned compounds were tested at different concentrations for their toxic profile and anti-inflammatory potential towards a human calcineurin/NFAT orthologue pathway in a yeast model, the calcineurin/Crz1 pathway. The SFE extract obtained, rich in SLs, yielded results of inhibition of 61.74 ± 6.87% with 50 µg/mL, and the purified fraction containing 8-deoxylactucin and 11β,13-dihydro-8-deoxylactucin inhibited the activation of the reporter gene up to 53.38 ± 3.9% at 10 µg/mL. The potential activity of the purified fraction was also validated by the ability to inhibit Crz1 nuclear translocation and accumulation. These results reveal a possible exploitable green technology to recover potential anti-inflammatory compounds ...
    Keywords Anti-inflammatory potential ; Sesquiterpene lactones ; Supercritical CO2 extraction
    Subject code 660
    Language English
    Publishing country nl
    Document type Article ; Online
    ZDB-ID 1413402-0
    ISSN 1431-5165 ; 1420-3049
    ISSN 1431-5165 ; 1420-3049
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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