MolecularWebXR: Multiuser discussions about chemistry and biology in immersive and inclusive VR

Authors: Rodriguez, Fabio J. Cortes, Frattini, Gianfranco, Meireles, Fernando Teixeira Pinto, Terrien, Danae A., Cruz-Leon, Sergio, Peraro, Matteo Dal, Schier, Eva, Moreno, Diego M., Abriata, Luciano A.

Subject Terms: Computer Science - Human-Computer Interaction, Computer Science - Graphics, Quantitative Biology - Biomolecules, 68U05 (Primary), I.3.7

Access URL: http://arxiv.org/abs/2311.00385

MolecularWebXR: Multiuser discussions in chemistry and biology through immersive and inclusive augmented and virtual reality

Authors: Cortés Rodríguez, Fabio J. ^a, Frattini, Gianfranco ^b, Phloi-Montri, Sittha ^c, Pinto Meireles, Fernando Teixeira ^a, Terrien, Danaé A. ^a, Cruz-León, Sergio ^d, Dal Peraro, Matteo ^a, Schier, Eva ^a, Lindorff-Larsen, Kresten ^e, Limpanuparb, Taweetham ^c, Moreno, Diego M. ^b, Abriata, Luciano A. ^{a, ⁎}

Source: In Journal of Molecular Graphics and Modelling March 2025 135

Proximal ligand tunes active site structure and reactivity in bacterial L. monocytogenes coproheme ferrochelatase

Authors: Dali, Andrea, Sebastiani, Federico, Gabler, Thomas, Frattini, Gianfranco, Moreno, Diego M., Estrin, Darío A., Becucci, Maurizio, Hofbauer, Stefan, Smulevich, Giulietta

Source: In Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 15 May 2024 313

MoleculARweb: A Web Site for Chemistry and Structural Biology Education through Interactive Augmented Reality out of the Box in Commodity Devices

Authors: Rodri´guez, FabioCorte´s, Frattini, Gianfranco, Krapp, Lucien F., Martinez-Hung, Hassan, Moreno, Diego M. (ORCID 0000-0001-5493-8537), Rolda´n, Mariana, Salomo´n, Jorge, Stemkoski, Lee, Traeger, Sylvain, Dal Peraro, Matteo (ORCID 0000-0002-2973-3975), Abriata, Luciano A. (ORCID 0000-0003-3087-8677)

Source: Journal of Chemical Education. Jul 2021 98(7):2243-2255.

Peer Reviewed: Y

Page Count: 13

Descriptors: Molecular Structure, Biochemistry, Organic Chemistry, STEM Education, Web Sites, Handheld Devices, Computer Simulation, Open Source Technology, Hands on Science, Usability, Electronic Learning, Instructional Effectiveness

The relative impact of ligand flexibility and redox potential on the activity of Cu superoxide dismutase mimics.

Authors: Signorella, Sharon, Bruno, Micaela, Frattini, Gianfranco, Palopoli, Claudia M., Moreno, Diego M., Pellegri, Nora, Daier, Verónica A., Signorella, Sandra R.

Source: Dalton Transactions: An International Journal of Inorganic Chemistry; 3/14/2025, Vol. 54 Issue 10, p4187-4200, 14p

Subject Terms: COPPER, REDUCTION potential, MESOPOROUS silica, SOLID solutions, ACETONITRILE

Thermal ecology of a thermophilic lizard Callisaurus draconoides through a latitudinal gradient

Authors: Pérez-Delgadillo, Ana G., Lara-Resendiz, Rafael A., Valdez-Villavicencio, Jorge H., Arenas-Moreno, Diego M., Domínguez-Guerrero, Saúl F., Galina-Tessaro, Patricia, Méndez-de la Cruz, Fausto R.

Source: In Journal of Arid Environments December 2021 195

MoleculARweb: A Web Site for Chemistry and Structural Biology Education through Interactive Augmented Reality out of the Box in Commodity Devices

Authors: Rodríguez, Fabio Cortés, Frattini, Gianfranco, Krapp, Lucien F., Martinez-Hung, Hassan, Moreno, Diego M., Roldán, Mariana, Salomón, Jorge, Stemkoski, Lee, Traeger, SySvain, Peraro, Matteo Dal

Source: Journal of chemical education. 98(7):2243-2255

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN627067780&indx=1&recIds=ETOCRN627067780

Thermoregulatory strategies of three reclusive lizards (genus Xantusia) from the Baja California peninsula, Mexico, under current and future microenvironmental temperatures

Authors: Arenas‐Moreno, Diego M., Lara‐Resendiz, Rafael A., Domínguez‐Guerrero, Saúl F., Pérez‐Delgadillo, Ana G., Muñoz‐Nolasco, Francisco J., Galina‐Tessaro, Patricia, Méndez‐de la Cruz, Fausto R.

Source: Journal of experimental zoology.Part A.Ecological and integrative physiology. 335(5):499-511

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100121126465.0x000001&indx=1&recIds=ETOCvdc_100121126465.0x000001

2-Mercaptomethyl-thiazolidines use conserved aromatic–S interactions to achieve broad-range inhibition of metallo-β-lactamasesElectronic supplementary information (ESI) available: Materials and methods for protein preparation, inhibitory measurements in vitro and in-cell, antimicrobial susceptibility testing, cell toxicity and protein crystallization and structure determination. X-ray data collection and structure refinement data, NMR spectra of the synthesized inhibitors, and additional figures. CCDC 2017238. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/d0sc05172a

Authors: Rossi, Maria-Agustina, Martinez, Veronica, Hinchliffe, Philip, Mojica, Maria F., Castillo, Valerie, Moreno, Diego M., Smith, Ryan, Spellberg, Brad, Drusano, George L., Banchio, Claudia, Bonomo, Robert A., Spencer, James, Vila, Alejandro J., Mahler, Graciela

Source: Chemical science. 12(8):2898-2908

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100121143912.0x000001&indx=1&recIds=ETOCvdc_100121143912.0x000001

1,3,4-oxadiazoles as inhibitors of the atypical member of the BET family bromodomain factor 3 from Trypanosoma cruzi (TcBDF3).

Authors: Alonso, Victoria L., Escalante, Andrea M., Araya, Elvio Rodríguez, Frattini, Gianfranco, Tavernelli, Luis E., Moreno, Diego M., Furlan, Ricardo L. E., Serra, Esteban

Source: Frontiers in Microbiology; 2024, p1-13, 13p

Subject Terms: BROMODOMAIN-containing proteins, CHAGAS' disease, CYTOTOXINS, TUBULINS, THERAPEUTICS, TRYPANOSOMA cruzi

Study of the role of Mg2+ in dsRNA processing mechanism by bacterial RNase III through QM/MM simulations

Authors: Drusin, Salvador I., Rasia, Rodolfo M., Moreno, Diego M.

Source: Journal of biological inorganic chemistry. 25(1):89-98

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100164269733.0x000001&indx=1&recIds=ETOCvdc_100164269733.0x000001

MAYEX is an old long noncoding RNA recruited for X chromosome dosage compensation in a reptile.

Authors: Tenorio, Mariela¹, Cruz-Ruiz, Samantha², Encarnación-Guevara, Sergio¹, Hernández, Magdalena¹, Antonio Corona-Gomez, Jose³, Sheccid-Santiago, Fania¹, Serwatowska, Joanna⁴, López-Perdomo, Sinai¹, Flores-Aguirre, Cynthia D.⁵, Arenas-Moreno, Diego M.⁵, Ossiboff, Robert J., Méndez-de-la-Cruz, Fausto⁵, Fernandez-Valverde, Selene L.³, Zurita, Mario², Oktaba, Katarzyna⁴, Cortez, Diego¹, dcortez@ccg.unam.mx

Source: Science; 9/20/2024, Vol. 385 Issue 6715, p1347-1354, 8p, 5 Diagrams

Tuning the MnII2/MnIII2 redox cycle of a phenoxo-bridged diMn catalase mimic with terminal carboxylate donors

Authors: Solís, Verónica, Palopoli, Claudia, Daier, Verónica, Rivière, Eric, Collin, Fabrice, Moreno, Diego M., Hureau, Christelle, Signorella, Sandra

Source: In Journal of Inorganic Biochemistry May 2018 182:29-36

Cover Feature: Versatile Activity of a Copper(II) Complex Bearing a N4‐Tetradentate Schiff Base Ligand with Reduced Oxygen Species (Eur. J. Inorg. Chem. 8/2022)

Authors: Richezzi, Micaela, Ferreyra, Joaquín, Puzzolo, Juan, Milesi, Lisandro, Palopoli, Claudia M., Moreno, Diego M., Hureau, Christelle, Signorella, Sandra R.

Source: European journal of inorganic chemistry. 2022(8)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100145678894.0x000001&indx=1&recIds=ETOCvdc_100145678894.0x000001

Versatile Activity of a Copper(II) Complex Bearing a N4‐Tetradentate Schiff Base Ligand with Reduced Oxygen Species

Authors: Richezzi, Micaela, Ferreyra, Joaquín, Puzzolo, Juan, Milesi, Lisandro, Palopoli, Claudia M., Moreno, Diego M., Hureau, Christelle, Signorella, Sandra R.

Source: European journal of inorganic chemistry. 2022(8)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100145678741.0x000001&indx=1&recIds=ETOCvdc_100145678741.0x000001

A global analysis of field body temperatures of active squamates in relation to climate and behaviour.

Authors: Dubiner, Shahar, Aguilar, Rocío, Anderson, Rodolfo O., Arenas Moreno, Diego M., Avila, Luciano J., Boada‐Viteri, Estefania, Castillo, Martin, Chapple, David G., Chukwuka, Christian O., Cree, Alison, Cruz, Félix B., Colli, Guarino R., Das, Indraneil, Delaugerre, Michel‐Jean, Du, Wei‐Guo, Dyugmedzhiev, Angel, Doan, Tiffany M., Escudero, Paula, Farquhar, Jules, Gainsbury, Alison M.

Source: Global Ecology & Biogeography; Apr2024, Vol. 33 Issue 4, p1-18, 18p

Subject Terms: BODY temperature, SQUAMATA, GLOBAL warming, DISTRIBUTION (Probability theory), ATMOSPHERIC temperature

Harnessing cross-border resources to confront climate change

Authors: Aburto-Oropeza, Octavio, Johnson, Andrew F., Agha, Mickey, Allen, Edith B., Allen, Michael F., González, Jesús Arellano, Arenas Moreno, Diego M., Beas-Luna, Rodrigo, Butterfield, Scott, Caetano, Gabriel, Caselle, Jennifer E., Gaytán, Gamaliel Castañeda, Castorani, Max C.N., Cat, Linh Anh, Cavanaugh, Kyle, Chambers, Jeffrey Q., Cooper, Robert D., Arafeh-Dalmau, Nur, Dawson, Todd, de la Vega Pérez, Aníbal Díaz, DiMento, Joseph F.C., Guerrero, Saúl Domínguez, Edwards, Matthew, Ennen, Joshua R., Estrada-Medina, Hector, Fierro-Estrada, Natalia, Gadsden, Héctor, Galina-Tessaro, Patricia, Gibbons, Paul M., Goode, Eric V., Gorris, Morgan E., Harmon, Thomas, Hecht, Susanna, Heredia Fragoso, Marco Antonio, Hernández-Solano, Alan, Hernández-Cortés, Danae, Hernández-Carmona, Gustavo, Hillard, Scott, Huey, Raymond B., Hufford, Matthew B., Jenerette, G. Darrel, Jiménez-Osornio, Juan, López-Nava, Karla Joana, Lara Reséndiz, Rafael A., Leslie, Heather M., López-Feldman, Alejandro, Luja, Víctor H., Méndez, Norberto Martínez, Mautz, William J., Medellín-Azuara, Josué, Meléndez-Torres, Cristina, de la Cruz, Fausto R. Méndez, Micheli, Fiorenza, Miles, Donald B., Montagner, Giovanna, Montaño-Moctezuma, Gabriela, Müller, Johannes, Oliva, Paulina, Ortinez Álvarez, José Abraham, Ortiz-Partida, J. Pablo, Palleiro-Nayar, Julio, Páramo Figueroa, Víctor Hugo, Parnell, P. Ed., Raimondi, Peter, Ramírez-Valdez, Arturo, Randerson, James T., Reed, Daniel C., Riquelme, Meritxell, Torres, Teresita Romero, Rosen, Philip C., Ross-Ibarra, Jeffrey, Sánchez-Cordero, Victor, Sandoval-Solis, Samuel, Santos, Juan Carlos, Sawers, Ruairidh, Sinervo, Barry, Sites, Jack W., Sosa-Nishizaki, Oscar, Stanton, Travis, Stapp, Jared R., Stewart, Joseph A.E., Torre, Jorge, Torres-Moye, Guillermo, Treseder, Kathleen K., Valdez-Villavicencio, Jorge, Valle Jiménez, Fernando I., Vaughn, Mercy, Welton, Luke, Westphal, Michael F., Woolrich-Piña, Guillermo, Yunez-Naude, Antonio, Zertuche-González, José A., Taylor, J. Edward

Source: Environmental science & policy. 87:128-132

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100084293048.0x000001&indx=1&recIds=ETOCvdc_100084293048.0x000001

Synthesis, characterization and activity of imidazolate-bridged and Schiff-base dinuclear complexes as models of Cu,Zn-SOD. A comparative study

Authors: Daier, Verónica A., Rivière, Eric, Mallet-Ladeira, Sonia, Moreno, Diego M., Hureau, Christelle, Signorella, Sandra R.

Source: In Journal of Inorganic Biochemistry October 2016 163:162-175

dsRNA-protein interactions studied by molecular dynamics techniques. Unravelling dsRNA recognition by DCL1

Authors: Drusin, Salvador I., Suarez, Irina P., Gauto, Diego F., Rasia, Rodolfo M., Moreno, Diego M.

Source: In Archives of Biochemistry and Biophysics 15 April 2016 596:118-125

Rational Design of Benzobisheterocycle Metallo-β-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.

Authors: Villamil, Valentina, Rossi, Maria-Agustina, Mojica, Maria F., Hinchliffe, Philip, Martínez, Verónica, Castillo, Valerie, Saiz, Cecilia, Banchio, Claudia, Macías, Mario A., Spencer, James, Bonomo, Robert A., Vila, Alejandro, Moreno, Diego M., Mahler, Graciela

Source: Journal of Medicinal Chemistry; 3/14/2024, Vol. 67 Issue 5, p3795-3812, 18p