Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent Structural Variations and Charge Transport Property Analysis
Konar, Saugata, Dey, Arka, Choudhury, Somnath Ray, Das, Kinsuk, Chatterjee, Sudipta, Ray, Partha Pratim, Ortega-Castro, Joaquín, Frontera, Antonio, Mukhopadhyay, Subrata
Published in Journal of physical chemistry. C (26.04.2018)
Published in Journal of physical chemistry. C (26.04.2018)
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A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α‑Synuclein
Ramis, Rafael, Ortega-Castro, Joaquín, Casasnovas, Rodrigo, Mariño, Laura, Vilanova, Bartolomé, Adrover, Miquel, Frau, Juan
Published in Journal of chemical information and modeling (22.04.2019)
Published in Journal of chemical information and modeling (22.04.2019)
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Cd(II) coordination polymer of fumaric acid and pyridyl-hydrazide Schiff base: Structure, photoconductivity and theoretical interpretation
Chandra, Angeera, Das, Dhananjoy, Castro, Joaquín-Ortega, Naskar, Kaushik, Jana, Srikanta, Frontera, Antonio, Pratim Ray, Partha, Sinha, Chittaranjan
Published in Inorganica Chimica Acta (01.04.2021)
Published in Inorganica Chimica Acta (01.04.2021)
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Unraveling the NaCl Concentration Effect on the First Stages of α‑Synuclein Aggregation
Ramis, Rafael, Ortega-Castro, Joaquín, Vilanova, Bartolomé, Adrover, Miquel, Frau, Juan
Published in Biomacromolecules (14.12.2020)
Published in Biomacromolecules (14.12.2020)
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Journal Article
Irradiation Specified Conformational Change in a Small Organic Compound and Its Effect on Electrical Properties
Halder, Shibashis, Dey, Arka, Ortega-Castro, Joaquín, Frontera, Antonio, Ray, Partha Pratim, Roy, Partha
Published in Journal of physical chemistry. C (10.11.2016)
Published in Journal of physical chemistry. C (10.11.2016)
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Journal Article
Copper(II) Binding Sites in N‑Terminally Acetylated α‑Synuclein: A Theoretical Rationalization
Ramis, Rafael, Ortega-Castro, Joaquín, Vilanova, Bartolomé, Adrover, Miquel, Frau, Juan
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.08.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.08.2017)
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Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies
Gowtham, Hittanahallikoppal Gajendramurthy, Murali, Mahadevamurthy, Singh, Sudarshana Brijesh, Shivamallu, Chandan, Pradeep, Sushma, Shivakumar, C S, Anandan, Satish, Thampy, Anjana, Achar, Raghu Ram, Silina, Ekaterina, Stupin, Victor, Ortega-Castro, Joaquín, Frau, Juan, Flores-Holguín, Norma, Amruthesh, Kestur Nagaraj, Kollur, Shiva Prasad, Glossman-Mitnik, Daniel
Published in PloS one (06.10.2022)
Published in PloS one (06.10.2022)
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Formation Mechanism of Inter-Crosslink in DNA by Nitrogen Oxides Pollutants through A Diazonium Intermediate
Hernandez-Haro, Noemi, Solis-Calero, Christian, Casasnovas, Rodrigo, Morell, Christophe, Grand, Andre, Frau, Juan, Ortega-Castro, Joaquín
Published in International journal of molecular sciences (13.09.2022)
Published in International journal of molecular sciences (13.09.2022)
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Journal Article
A Systematic DFT Study of Some Plausible Zn(II) and Al(III) Interaction Sites in N‑Terminally Acetylated α‑Synuclein
Ramis, Rafael, Ortega-Castro, Joaquín, Vilanova, Bartolomé, Adrover, Miquel, Frau, Juan
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.01.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.01.2018)
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Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-Based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation
Uppar, Vijayakumar, Chandrashekharappa, Sandeep, Shivamallu, Chandan, P, Sushma, Kollur, Shiva Prasad, Ortega-Castro, Joaquín, Frau, Juan, Flores-Holguín, Norma, Basarikatti, Atiyaparveen I, Chougala, Mallikarjun, Mohan M, Mrudula, Banuprakash, Govindappa, Jayadev, Venugopala, Katharigatta N, Nandeshwarappa, Belakatte P, Veerapur, Ravindra, Al-Kheraif, Abdulaziz A, Elgorban, Abdallah M, Syed, Asad, Mudnakudu-Nagaraju, Kiran K, Padmashali, Basavaraj, Glossman-Mitnik, Daniel
Published in Molecules (Basel, Switzerland) (06.05.2021)
Published in Molecules (Basel, Switzerland) (06.05.2021)
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Social-Ecologically More Sustainable Agricultural Production
von Cossel, Moritz, Castro-Montoya, Joaquín, Iqbal, Yasir
Published in Agronomy (Basel) (01.11.2023)
Published in Agronomy (Basel) (01.11.2023)
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Journal Article
How Does Pyridoxamine Inhibit the Formation of Advanced Glycation End Products? The Role of Its Primary Antioxidant Activity
Ramis, Rafael, Ortega-Castro, Joaquín, Caballero, Carmen, Casasnovas, Rodrigo, Cerrillo, Antonia, Vilanova, Bartolomé, Adrover, Miquel, Frau, Juan
Published in Antioxidants (01.09.2019)
Published in Antioxidants (01.09.2019)
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Journal Article
Author Correction: Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target
Anandan, Satish, Gowtham, Hittanahallikoppal Gajendramurthy, Shivakumara, C. S., Thampy, Anjana, Singh, Sudarshana Brijesh, Murali, Mahadevamurthy, Shivamallu, Chandan, Pradeep, Sushma, Shilpa, Natarajamurthy, Shati, Ali A., Alfaifi, Mohammad Y., Elbehairi, Serag Eldin I., Ortega‑Castro, Joaquín, Frau, Juan, Flores‑Holguín, Norma, Kollur, Shiva Prasad, Glossman‑Mitnik, Daniel
Published in Scientific reports (09.02.2023)
Published in Scientific reports (09.02.2023)
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Photochromic Solid Materials Based on Poly(decylviologen) Complexed with Alginate and Poly(sodium 4‑styrenesulfonate)
Sanhueza, Luis, Castro, Joaquín, Urzúa, Esteban, Barrientos, Lorena, Oyarzun-Ampuero, Felipe, Pesenti, Héctor, Shibue, Toshimichi, Sugimura, Natsuhiko, Tomita, Wataru, Nishide, Hiroyuki, Moreno-Villoslada, Ignacio
Published in The journal of physical chemistry. B (15.10.2015)
Published in The journal of physical chemistry. B (15.10.2015)
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In vitro rumen fermentation, microbial protein synthesis and composition of microbial community of total mixed rations replacing maize silage with red clover silage
Castro‐Montoya, Joaquín, Witzig, Maren, Rahman, Mizanur, Westreicher‐Kristen, Edwin, Dickhoefer, Uta
Published in Journal of animal physiology and animal nutrition (01.12.2018)
Published in Journal of animal physiology and animal nutrition (01.12.2018)
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Nitration and Glycation Diminish the α‑Synuclein Role in the Formation and Scavenging of Cu2+-Catalyzed Reactive Oxygen Species
Martínez-Orozco, Humberto, Mariño, Laura, Uceda, Ana Belén, Ortega-Castro, Joaquín, Vilanova, Bartolomé, Frau, Juan, Adrover, Miquel
Published in ACS chemical neuroscience (19.06.2019)
Published in ACS chemical neuroscience (19.06.2019)
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Journal Article
Preparation, spectroscopic investigations and chemical reactivity properties of a new schiff base ligand and its copper (II) complexes
Kollur, Shiva Prasad, Castro, Joaquín Ortega, Frau, Juan, Flores-Holgu´ın, Norma, Shruthi, Govindaraju, Shivamallu, Chandan, Glossman-Mitnik, Daniel
Published in Journal of molecular structure (05.09.2019)
Published in Journal of molecular structure (05.09.2019)
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Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra- p -Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds
Dăbuleanu, Dragoș, Bauzá, Antonio, Ortega-Castro, Joaquín, Escudero-Adán, Eduardo C, Ballester, Pablo, Frontera, Antonio
Published in Molecules (Basel, Switzerland) (10.01.2020)
Published in Molecules (Basel, Switzerland) (10.01.2020)
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