ROBERTO FERNANDEZ

(BCMATERIALS)

Searching and analyzing organic molecules, metal organic complexes and metal-organic extended structures and in Cambridge Structural Database II: Specific analysis

Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing over 900,000 entries from x-ray and neutron diffraction analyses, this unique database of accurate 3D structures has become an essential resource to scientists around the world. BCMaterials has access to the on-line version of the database, including the structures searching tools. However, we can also access, through different research teams of the University of the Basque country, to the

complete-desktop tools included in the package CSD-System applications (ConQuest, Mercury, Mogul, Isostar…).

In this short course, we will explore three case studies related to the main research lines and goals within the BCMaterials:

1)            Searching Structures: Metal Organic Frameworks, Lead Iodide Perovskites, Drugs – developing our own database.
2)            Analyzing Atomic distances, angles, and conformation and other structural information within our database.
3)            Inter-molecular interactions study: Analyzing the weak forces shaping our materials.

Date/Time
Date(s) – 14/03/2019
12:00 PM – 1:30 PM

Location
Auditorio de Plataforma Tecnológica –Martina Casiano, UPV/EHU
UPV/EHU Science Park
Bld. Martina Casiano, Gnd. Floor
48940 Leioa
Bizkaia
Spain

GPS
43.3325366, -2.9702551000000312

ROBERTO FERNANDEZ

(BCMATERIALS)

Searching and analyzing organic molecules, metal organic complexes and metal-organic extended structures and in Cambridge Structural Database I: Introduction

Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing over 900,000 entries from x-ray and neutron diffraction analyses, this unique database of accurate 3D structures has become an essential resource to scientists around the world. BCMaterials has access to the on-line version of the database, including the structures searching tools. However, we can also access, through different research teams of the University of the Basque country, to the complete-desktop tools included in the package CSD-System applications (ConQuest, Mercury, Mogul, Isostar…).

In this short course, we will explore three case studies related to the main research lines and goals within the BCMaterials:
1) Searching Structures: Metal Organic Frameworks, Lead Iodide Perovskites, Drugs – developing our own database.
2) Analyzing Atomic distances, angles, and conformation and other structural information within our database.
3) Inter-molecular interactions study: Analyzing the weak forces shaping our materials.

Date/Time
Date(s) – 13/03/2019
12:00 PM – 1:30 PM

Location
Auditorio de Plataforma Tecnológica –Martina Casiano, UPV/EHU
UPV/EHU Science Park
Bld. Martina Casiano, Gnd. Floor
48940 Leioa
Bizkaia
Spain

GPS
43.3325366, -2.9702551000000312

Thanks a lot Gabriel Tovar for your hard work within this secondment at the BCMaterials. After three months at our center, and following the work developed by the PhD student Dimas Torres, we have achieved to obtain ten new MOF materials modified with hydrogen donor molecules, quantify the functionalization degree, and perform the heavy metal adsorption initial experimental tests. Gabriel has obtained the first Chitin-MOF membranes within the project, demonstrating their potentials to remove pollutants from water synthetic solutions. In addition, Gabriel has started a new collaborations within the INDEMOF project, and jointly with Marcela Quintero, they have developed the first Chitin-photo-Active MOF membrane. We will test for the photo-reduction oxidation of heavy metals at AMTC in the near future (Fingers crossed ;)).

Summarizing the research results of Ainara Valverde and Gabriel Tovar during the last week of Gabriel´s secondment within INDESMOF project

It has been a pleasure to host PhD student Marcela Quintero at UPV/EHU and URA during one and two months, developing new materials based on Metal Organic Frameworks and Deep Eutectic Solvents; and determining the real operation conditions through the study and sampling of Basque Country water samples. Indeed researchers from the laboratory of URA and Marcela Quintero have achieved a great goal within INDESMOF, the participation of a small enterprise that has bring us some industrial water samples after and before the treatments necessary to incorporate them in the Basque Country Water Basins. In the near future, we will corroborate if the materials developed within the project are able to capture the heavy metals from synthetic and real water solutions. Thanks a lot Marcela for your diligence, hard work and kind character.

Marcela Quintero working during her secondment at URA within the INDESMOF project

Marcela visiting the laboratories of the BCMaterials to perform Chitin based membranes. From left to the right: Marcela Quintero, Gabriel Tovar, Senentxu Valverde, Arkaitz Fidalgo and Ainara Valverde.

Marcela working at the laboratories of Mineralogy and Petrology department of the University of the Basque Country.

“New Materials for a Better Life: Porous Structures as Key Enabling Materials for Advanced Technologies” was celebrated at Basque Center for Materials, Applications & Nanostructures, 20^th November 2018. The symposium, directly related and partially funded by INDESMOF RISE-MSCA-H2020 action, meet international, Spanish and Basque leading principal researchers discussing about the potential possibilities and current applications of MOF materials or MOF based membranes.

www.nm4bl.org

Invited speakers:

• Christian Serre-CNRS: “Robust Metal Organic Frameworks: from their design to their potential applications”

• Ana Platero-Prats – Universidad Autónoma de Madrid: ““Better than Perfect: Exploring Crystallinity of Real MOF Materials”

• Oana David – TECNALIA-Membrane Technology and Process Intensification-Energy and Environment Division “PBI mixed matrix hollow fiber membranes: influence of ZIF8 filler over mixed gas transport”

• Dr. Oscar Castillo – University of the Basque Country (UPV/EHU). “Porous Metal-Organic Materials Beyond MOFs”

• Dr. Roberto Fernández de Luis –BCMaterials (BCM) “State of the art and potential future applications of Metal Organic Frameworks for metal ion recovery”

With an assistance of near 100 researchers, the international workshop ends with the poster session presentation

and best poster awards received by two early stage researchers of the BCMaterials that are currently involved in some tasks proposed in INDESMOF project.

BCMaterials, jointly with an international consortium leaded by the University of Chile, have been granted with a UNESCO-project within the International Geoscience Programme (IGCP 682: Mine Tailing Revalorization) that will explore the possibility to recover highly valuable Rare Earth Elements from mine tailings generated from two different commodities; Iron Oxide,

Copper and Gold type mining deposits (IOCG) and industrial phosphogypsum tailings. The consortium will explore a greener bio-alternatives to extract the REE valuable metals, and recover them through specific and high capacitive adsorbent materials.

Consortium:

Department of Mining Engineering, Universidad de Chile, Chile
Basque Center for Materials, Applications & Nanostructures
University College Dublin, O´Brien Centre for Science, Europe
University of Tasmania, Australia.
University of the Free State, South Africa
University of Buenos Aires, Argentina.
CSIC- Instituto Andaluz de Ciencias de la Tierra (IACT)