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  1. Book: Emerging Drugs and Targets for Multiple Sclerosis

    Martinez, Ana

    (Drug Discovery ; 70)

    2019  

    Series title Drug Discovery ; 70
    Keywords Lehrbuch ; MHMO030 ; NCHD ; MHMC090
    Language English
    Size 333 p.
    Publisher ROYAL SOCIETY OF CHEMISTRY
    Document type Book
    Note PDA Manuell_7
    Format 163 x 234 x 25
    ISBN 9781788014502 ; 1788014502
    Database PDA

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  2. Article ; Online: Toxicity of persistent organic pollutants: a theoretical study.

    Martínez, Ana

    Journal of molecular modeling

    2024  Volume 30, Issue 4, Page(s) 97

    Abstract: Context: Polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) are two families of persistent organic pollutants that are dangerous as they remain in the atmosphere for long periods and are toxic for humans and animals. They are ... ...

    Abstract Context: Polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) are two families of persistent organic pollutants that are dangerous as they remain in the atmosphere for long periods and are toxic for humans and animals. They are found all over the world, including the penguins of Antarctica. One of the mechanisms that explains the toxicity of these compounds is related to oxidative stress. The main idea of this theoretical research is to use conceptual density functional theory as a theory of chemical reactivity to analyze the oxidative stress that PCBs and PBDEs can produce. The electron transfer properties as well as the interaction with DNA nitrogenous bases of nine PCBs and ten PBDEs found in Antarctic penguins are investigated. From this study, it can be concluded that compounds with more chlorine or bromine atoms are more oxidizing and produce more oxidative stress. These molecules also interact directly with the nitrogenous bases of DNA, forming hydrogen bonds, and this may be an explanation for the toxicity. Since quinone-type metabolites of PCBs and PBDEs can cause neurotoxicity, examples of quinones are also investigated. Condensed Fukui functions are included to analyze local reactivity. These results are important as the reactivity of these compounds helps to explain the toxicity of PCBs and PBDEs.
    Methods: All DFT computations were performed using Gaussian16 at M06-2x/6-311 + g(2d,p) level of theory without symmetry constraints. Electro-donating (ω-) and electro-accepting (ω +) powers were used as global response functions and condensed Fukui functions as local parameters of reactivity.
    MeSH term(s) Animals ; Humans ; Persistent Organic Pollutants ; Halogenated Diphenyl Ethers/toxicity ; Polychlorinated Biphenyls/toxicity ; Models, Theoretical ; DNA
    Chemical Substances Persistent Organic Pollutants ; Halogenated Diphenyl Ethers ; Polychlorinated Biphenyls (DFC2HB4I0K) ; DNA (9007-49-2)
    Language English
    Publishing date 2024-03-07
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1284729-X
    ISSN 0948-5023 ; 1610-2940
    ISSN (online) 0948-5023
    ISSN 1610-2940
    DOI 10.1007/s00894-024-05890-8
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  3. Book ; Online: Emerging Marine Biotoxins

    Gago-Martínez, Ana / Gerssen, Arjen

    2019  

    Abstract: The emergence of marine and freshwater toxins in geographical areas where they have never been reported before is a concern due to the considerable impact on (sea)food contamination, and consequently, on public health. Several groups of marine biotoxins, ...

    Abstract The emergence of marine and freshwater toxins in geographical areas where they have never been reported before is a concern due to the considerable impact on (sea)food contamination, and consequently, on public health. Several groups of marine biotoxins, in particular tetrodotoxins, ciguatoxins, and palytoxins, are included among the relevant marine biotoxins that have recently emerged in several coastal areas. A similar situation has been observed in freshwater, where cyanobacterial toxins, such as microcystins, could end up in unexpected areas such as the estuaries where shellfish are cultivated. Climate change and the increased availability of nutrients have been considered as the key factors in the expansion of all of these toxins into new areas; however, this could also be due to more intense biological invasions, more sensitive analytical methods, or perhaps even an increased scientific interest in these natural contaminations. The incidences of human intoxications due to the consumption of seafood contaminated with these toxins have made their study an important task to accomplish in order to protect human health. This Special Issue has a focus on a wide variety of emerging biotoxin classes and techniques to identify and quantify them
    Keywords Science (General) ; Biology (General)
    Size 1 electronic resource (206 pages)
    Publisher MDPI - Multidisciplinary Digital Publishing Institute
    Document type Book ; Online
    Note eng ; Open Access
    HBZ-ID HT020323952
    ISBN 9783039215133 ; 9783039213498 ; 3039215132 ; 3039213490
    DOI 10.3390/books978-3-03921-349-8
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  4. Book: Glycogen synthase kinase 3 (GSK-3) and its inhibitors

    Martínez, Ana

    drug discovery and development

    (Wiley series in drug discovery and development)

    2006  

    Author's details ed. by Ana Martínez
    Series title Wiley series in drug discovery and development
    Keywords Protein Kinase Inhibitors / therapeutic use ; Glycogen Synthase Kinase 3 / antagonists & inhibitors ; Glycogen Synthase Kinase 3 / physiology
    Language English
    Size XXXI, 346 S. : Ill., graph. Darst.
    Publisher Wiley-Interscience
    Publishing place Hoboken, NJ
    Publishing country United States
    Document type Book
    HBZ-ID HT014800462
    ISBN 978-0-471-77001-5 ; 0-471-77001-9
    Database Catalogue ZB MED Medicine, Health

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    In stock of ZB MED Cologne/Königswinter

    Shelf markLoan statusLocation
    2007 A 188 order for loan Magazin

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  5. Article: Electron Donor-Acceptor Capacity of Selected Pharmaceuticals against COVID-19.

    Martínez, Ana

    Antioxidants (Basel, Switzerland)

    2021  Volume 10, Issue 6

    Abstract: More than a year ago, the first case of infection by a new coronavirus was identified, which subsequently produced a pandemic causing human deaths throughout the world. Much research has been published on this virus, and discoveries indicate that ... ...

    Abstract More than a year ago, the first case of infection by a new coronavirus was identified, which subsequently produced a pandemic causing human deaths throughout the world. Much research has been published on this virus, and discoveries indicate that oxidative stress contributes to the possibility of getting sick from the new SARS-CoV-2. It follows that free radical scavengers may be useful for the treatment of coronavirus 19 disease (COVID-19). This report investigates the antioxidant properties of nine antivirals, two anticancer molecules, one antibiotic, one antioxidant found in orange juice (Hesperidin), one anthelmintic and one antiparasitic (Ivermectin). A molecule that is apt for scavenging free radicals can be either an electron donor or electron acceptor. The results I present here show Valrubicin as the best electron acceptor (an anticancer drug with three F atoms in its structure) and elbasvir as the best electron donor (antiviral for chronic hepatitis C). Most antiviral drugs are good electron donors, meaning that they are molecules capable of reduzing other molecules. Ivermectin and Molnupiravir are two powerful COVID-19 drugs that are not good electron acceptors, and the fact that they are not as effective oxidants as other molecules may be an advantage. Electron acceptor molecules oxidize other molecules and affect the conditions necessary for viral infection, such as the replication and spread of the virus, but they may also oxidize molecules that are essential for life. This means that the
    Language English
    Publishing date 2021-06-18
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2704216-9
    ISSN 2076-3921
    ISSN 2076-3921
    DOI 10.3390/antiox10060979
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  6. Article ; Online: Commentary on: A Retrospective Comparison of the Efficacy of Embolization with Imipenem/Cilastatin and Microspheres in the Management of Chronic Shoulder Pain.

    Fernández Martínez, Ana María

    Cardiovascular and interventional radiology

    2023  Volume 46, Issue 6, Page(s) 758–759

    MeSH term(s) Humans ; Retrospective Studies ; Microspheres ; Shoulder Pain ; Cilastatin, Imipenem Drug Combination/therapeutic use ; Anti-Bacterial Agents/therapeutic use ; Drug Combinations ; Cilastatin/therapeutic use ; Bacterial Infections/drug therapy ; Drug Therapy, Combination
    Chemical Substances Cilastatin, Imipenem Drug Combination (92309-29-0) ; Anti-Bacterial Agents ; Drug Combinations ; Cilastatin (141A6AMN38)
    Language English
    Publishing date 2023-04-27
    Publishing country United States
    Document type Editorial ; Comment
    ZDB-ID 603082-8
    ISSN 1432-086X ; 0342-7196 ; 0174-1551
    ISSN (online) 1432-086X
    ISSN 0342-7196 ; 0174-1551
    DOI 10.1007/s00270-023-03429-7
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    In stock of ZB MED Cologne/Königswinter

    Zs.A 1378: Show issues Location:
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    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

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  7. Article ; Online: Metals Can Change the Colors of Eggshells but How Is This Related to Oxidative Stress and Antibacterial Capacity?

    Martínez, Ana / López-Rull, Isabel

    ACS omega

    2024  Volume 9, Issue 5, Page(s) 5601–5607

    Abstract: Two main substances are responsible for the pigmentation of the eggshells of birds and reptiles: the bluish-green tone comes from biliverdin (BV), and protoporphyrin IX (PP) gives brown hues. BV and PP can form complexes with metal cations. The main ... ...

    Abstract Two main substances are responsible for the pigmentation of the eggshells of birds and reptiles: the bluish-green tone comes from biliverdin (BV), and protoporphyrin IX (PP) gives brown hues. BV and PP can form complexes with metal cations. The main objective of this investigation is to carry out a theoretical study that analyzes the interaction of metal cations (Cu
    Language English
    Publishing date 2024-01-24
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.3c07702
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Chemical reactivity theory to analyze possible toxicity of microplastics: Polyethylene and polyester as examples.

    Martínez, Ana / Barbosa, Andrés

    PloS one

    2024  Volume 19, Issue 3, Page(s) e0285515

    Abstract: Micro- and nanoplastics are widespread throughout the world. In particular, polyethylene (PE) and polyethylene terephthalate or polyester (PET) are two of the most common polymers, used as plastic bags and textiles. To analyze the toxicity of these two ... ...

    Abstract Micro- and nanoplastics are widespread throughout the world. In particular, polyethylene (PE) and polyethylene terephthalate or polyester (PET) are two of the most common polymers, used as plastic bags and textiles. To analyze the toxicity of these two polymers, oligomers with different numbers of units were used as models. The use of oligomers as polymeric templates has been used previously with success. We started with the monomer and continued with different oligomers until the chain length was greater than two nm. According to the results of quantum chemistry, PET is a better oxidant than PE, since it is a better electron acceptor. Additionally, PET has negatively charged oxygen atoms and can promote stronger interactions than PE with other molecules. We found that PET forms stable complexes and can dissociate the guanine-cytosine nucleobase pair. This could affect DNA replication. These preliminary theoretical results may help elucidate the potential harm of micro- and nanoplastics.
    MeSH term(s) Polyethylene/toxicity ; Microplastics/toxicity ; Plastics/toxicity ; Polyethylene Terephthalates/toxicity ; Polymers ; Oxidants
    Chemical Substances Polyethylene (9002-88-4) ; Microplastics ; Plastics ; Polyethylene Terephthalates ; Polymers ; Oxidants
    Language English
    Publishing date 2024-03-06
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2267670-3
    ISSN 1932-6203 ; 1932-6203
    ISSN (online) 1932-6203
    ISSN 1932-6203
    DOI 10.1371/journal.pone.0285515
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  9. Article ; Online: Vitamin D Levels and Cardiopulmonary Status in Infants with Acute Bronchiolitis: Tip of the Iceberg?: Authors' Reply.

    Castellano-Martinez, Ana

    Indian pediatrics

    2022  Volume 59, Issue 6, Page(s) 504

    MeSH term(s) Bronchiolitis ; Humans ; Infant ; Vitamin D ; Vitamin D Deficiency/complications ; Vitamins
    Chemical Substances Vitamins ; Vitamin D (1406-16-2)
    Language English
    Publishing date 2022-06-13
    Publishing country India
    Document type Journal Article ; Comment
    ZDB-ID 402594-5
    ISSN 0974-7559 ; 0019-6061
    ISSN (online) 0974-7559
    ISSN 0019-6061
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 859: Show issues Location:
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    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

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  10. Article ; Online: Contribution of Mass Spectrometry to the Advances in Risk Characterization of Marine Biotoxins: Towards the Characterization of Metabolites Implied in Human Intoxications.

    Estevez, Pablo / Gago-Martinez, Ana

    Toxins

    2023  Volume 15, Issue 2

    Abstract: A significant spread and prevalence of algal toxins and, in particular, marine biotoxins have been observed worldwide over the last decades. Marine biotoxins are natural contaminants produced during harmful algal blooms being accumulated in seafood, thus ...

    Abstract A significant spread and prevalence of algal toxins and, in particular, marine biotoxins have been observed worldwide over the last decades. Marine biotoxins are natural contaminants produced during harmful algal blooms being accumulated in seafood, thus representing a threat to human health. Significant progress has been made in the last few years in the development of analytical methods able to evaluate and characterize the different toxic analogs involved in the contamination, Liquid Chromatography coupled to different detection modes, including Mass Spectrometry, the method of choice due to its potential for separation, identification, quantitation and even confirmation of the different above-mentioned analogs. Despite this, the risk characterization in humans is still limited, due to several reasons, including the lack of reference materials or even the limited access to biological samples from humans intoxicated during these toxic events and episodes, which hampered the advances in the evaluation of the metabolites responsible for the toxicity in humans. Mass Spectrometry has been proven to be a very powerful tool for confirmation, and in fact, it is playing an important role in the characterization of the new biotoxins analogs. The toxin metabolization in humans is still uncertain in most cases and needs further research in which the implementation of Mass Spectrometric methods is critical. This review is focused on compiling the most relevant information available regarding the metabolization of several marine biotoxins groups, which were identified using Mass Spectrometry after the in vitro exposition of these toxins to liver microsomes and hepatocytes. Information about the presence of metabolites in human samples, such as human urine after intoxication, which could also be used as potential biomarkers for diagnostic purposes, is also presented.
    MeSH term(s) Humans ; Marine Toxins/analysis ; Mass Spectrometry/methods ; Chromatography, Liquid/methods ; Harmful Algal Bloom
    Chemical Substances Marine Toxins
    Language English
    Publishing date 2023-01-22
    Publishing country Switzerland
    Document type Journal Article ; Review ; Research Support, Non-U.S. Gov't
    ZDB-ID 2518395-3
    ISSN 2072-6651 ; 2072-6651
    ISSN (online) 2072-6651
    ISSN 2072-6651
    DOI 10.3390/toxins15020103
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