DefTiMOFs

Defective Titanium Metal-Organic Frameworks | Project

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ISABEL ATTENDS THE 71ST NOBEL LAUREATE LINDAU MEETING ON-SITE!!!

This experience was unique, allowing her to meet with her Sciathlon friends, get to know amazing young scientist and Nobel Laureates, leading to science discussions but also hearing about their personal lifes and difficulties.
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NEW PAPER PUBLISHED!!

 I. Abánades Lázaro, «Rationalising the multivariate modulation of MUV-10 for the defect-introduction of multiple functionalised modulators» , Journal of Materials Chemistry A, 2022,10, 10466-10473.

Among multivariate metal–organic frameworks, multivariate modulated (MTVM) MOFs offer the possibility of introducing multiple functionalised units into the MOFs as defect-compensating ligands promoting porosity among other defect-related properties. However, there are no studies that rationalise the incorporation of multiple functionalised modulators and their resultant properties, hindering their molecular design and multi-applicability. In this manuscript, we introduce up to five functionalised modulators bearing NO2, F, tBu, OH and NH2 units in significant quantities (up to ca. 31 mol%) into the Ti heterometallic MOF MUV-10 in one-pot synthesis, increasing the porosity by up to ca. 1.3-fold in comparison with the pristine material. We have rationalised the incorporation ratios of the different combinations of modulators among other properties. As a proof-of-concept, we have shown that there is up to a 1.7-fold enhancement in the catalytic activity of MTVM MOFs for the regioselective opening of epoxides, anticipating that this protocol can be used to produce multi-functionalised materials with a wide range of applications.


NEW PAPER PUBLISHED!!

 I. Abánades Lázaro; R. S. Forgan and F. G. Cirujano «MOF nanoparticles as heterogeneous catalysts for direct amide bond formations», Dalton Transactions, 2022, 51, 8368-8376.

The influence of composition and textural characteristics of a family of ultra-small isoreticular UiO-type metal–organic frameworks (MOFs) with different functionalized and extended linkers on their catalytic performance is evaluated. Two direct amide bond formations across four different substrates (benzylamine + phenylacetic acid and aniline + formic acid) are employed as proof-of-concept reactions to test the activity of the Zr-MOF nanoparticles. The reaction rates of amide bond formation are evaluated against physico-chemical properties such as crystallinity, porosity, particle size or linker functionality, alongside the Lewis acid and hydrophobic properties of the MOFs, in order to gain insights into the catalytic mechanism and optimal properties for its enhancement.


NEW PAPER PUBLISHED!!

 I. Abánades Lázaro, H. Szalad, P. Valiente, J. Albero, H. García, C. Martí-Gastaldo, «Tuning the Photocatalytic Activity of Ti-Based Metal–Organic Frameworks through Modulator Defect-Engineered Functionalization» ACS Appl. Mater. Interfaces, 2022, 14, 18, 21007–21017.

 We report a comprehensive study on the defect engineering of the titanium heterometallic MOF MUV-10 by fluoro- and hydroxy-isophthalic acid (Iso) modulators, rationalizing the effect of the materials’ properties on their photocatalytic activity for hydrogen production. The Iso-OH modified MOFs present a volcano-type profile with a 2.3-fold increase in comparison to the pristine materials, whereas the Iso-F modified samples have a gradual increase with up to a 4.2-fold enhancement.  The higher photocatalytic activity in Iso-F modulator derived MOF has been attributed to the effect of the divergent defect-compensation modes on the materials’ photostability and to the increase in the external surface area upon introduction of Iso-F modulator.

FIRST IN PERSON CONFERENCE for almost two years!
WISC, CAGLIARY, ITALY!
September 2021

Isabel will be giving an oral presentation summarising the current results of the project
 
Defect Engineering of Titanium MOFs for enhanced catalytic applications

Isabel will be presenting at mof2022!! 
Dresden, Germany!
September 2022

Isabel will be giving an oral presentation in the prestigious Global confernce MOF2022 to showcase her  results regarding the innovative multivariate modulation approach to produce multifunctionalised Titanium structures through defect engineering, enhancing the catalytic perfomance of the materials and opening the doors for this approach to be used for any applications!
 


NEW PAPER PUBLISHED!!

 I. Abánades Lázaro; J. M. Rodrigo-Muñoz;, B. Sastre;  M. Romero Ángel; C. Marti-Gastaldo; V. del Pozo «The excellent biocompatibility and negligible immune response of the titanium heterometallic MOF MUV-10», Journal of Materials Chemistry B, 2021, 9, 6144-6148. Front Cover

The Ti–Ca heterometallic MOF MUV-10 exhibits good dispersibility in phosphate buffer and low phosphate-induced degradation in comparison to other MOF systems. It induces no cytotoxicity towards cells of the immune system and no inmune response, making it an attractive candidate for biomedical applications and demonstrating its safe use for other applications.


NEW PAPER PUBLISHED!!

I. Abánades Lázaro; C. Popescu and F. G. Cirujano «Controlling the molecular diffusion in MOFs with the acidity of monocarboxylate modulators», Dalton Transactions, 2021, 50, 11291-11299.

 We show that the molar percent of defects, either as missing linkers or as a part of missing cluster defects, is related to the acidity of a modulator and its subsequent incorporation into the UiO-66 structure. Modulators with strong acidity and small size result in a considerable defect induction that causes an increase in the external surface area and mesopore volume, which is beneficial for the ring-opening of epoxides with amines, using UiO-66 defect-modulated MOFs as heterogeneous catalysts.


NEW PAPER PUBLISHED!!

 I. Abánades Lázaro, N. Almora-Barrios, S. Tatay and C. Martí-Gastaldo. ‘ Effect of modulator connectivity on promoting defectivity in titanium-organic frameworks’ Chemical Science,2021, 12, 2586-2593

 We report a systematic study on the ability of mono- and dicarboxylic modulators (benzoic and isophthalic acid) to promote defect creation in the heterometallic Ti-MOF of the MUV-10 family. Our results indicate that both acids behave as capping modulators at high concentrations, but isophthalic acid is a more efficient defect promoter, yielding defective phases with nearly 40% of missing linkers. Our computational results suggest that this difference cannot be solely ascribed to relative changes in acidity but to the ability of this bidentate linker in compensating the structural distortion and energy penalty imposed by breaking the connectivity of the underlying framework.

NEW PAPER PUBLISHED!!

I. Abánades Lázaro, N. Almora-Barrios, Sergio Tatay , C. Popescu, C. Martí-Gastaldo*,»Linker depletion for missing cluster defects in non-UiO metal–organic frameworks», Chemical Science, 2021, 12, 11839-11844.

We describe the preferential formation of missing cluster defects in heterometallic titanium–organic frameworks of the MUV-10 family when synthesised in sub-stoichiometric linker conditions.  Correlation of experiment with computational models reveals the dominance of missing cluster vacancies in the pore size distribution of defective MUV-10. These same models were used to investigate the correlation of defects by synchrotron X-ray diffraction. The diffraction at low reflection angles is dominated by diffuse scattering that is indicative of short-range order and cannot be indexed to the defective structural models generated. In addition to the low atomic scattering factor of titanium, these results confirm the need for high-resolution electron microscopy methods for modelling nanoscale disorder in titanium MOFs.

Isabel meets diana morant, the spanich ministher of science and education

 

Isabel had the oportunity to meet Diana, discuss matters that concern scientist and speak about the future of science in Spain, specially regarding funding and tools to stop unprofessional behaviour in academia. 

Isabel attends the open science days (70th nobel laureate lindau meeting online version) and participates in the sciathlon!

 

Although due to the covid pandemic the Lindau Nobel Laureate Meeting had to be online the experience was beyond any expectations, full of meaningfull conversation with young scientists and Nobel Laureates, inspiring talks and much more! If you want to know more about it please read the interview below 🙂

 

ISABEL IS INTERVIEWD BY CHEMISTRYVIEWS

During this interview Isabel speaks with Vera Koester about her views for the Lindau meeting, her expectations and what she wants to do in the future.

Read the interview here:)

stemfartes wins the second prize of wisibilizalas!!!

 
 
STEM Fartes is an association of hisghschool students working -together with their teacher Laura Vilar- on a project to give visibility to women in STEM. Isabel had the pleassure to be interviewed by them and talk about science and gender equallity.  

Science is for everyone!!! 

La ciencia es para tod@s
11h February 2021
 

The 11deFebrero association organises talks in high schools  aiming to overcome the gender imbalance in STEM!

 

Join as a volunteer and inspire students with your talks!! 

CREATIVE SCIENCE WEBINAR

25th November 2020
 
The seminar creative science introduces scientific careers beyond research, with, as the tittle introduces, a significant ammount of creactivity!! 

 

Don´t miss it!! You can also watch it online!

12th November 2020

gIRLS4STEM, profesional talks

During this event four Women in STEM will give short dissemination talks (10 min) related to the work they are performed. This talks are directed to adults, specially to teachers. 
New paper published!

Principles to obtain the exact composition of mofs by multifaceted TGA methodology

2020. Isabel Abánades Lázaro. ‘ A Comprehensive Thermogravimetric Analysis Multifaceted Method for the Exact Determination of the Compotision of Multi-functional Metal-Organic Framework Materials’ European Journal of Inorganic Chemistry, just accepted.  

ISABEL'S INTERVIEW HAS BEEN FEATURED IN THE lindau NOBEL LAUREATE MEETINGS' BLOG

Women in Research
Ulrike Boehm performs interviews with young female scientists  attending the Nobel Laureate Meetings. 
Isabel’s interview has been featured in the Lindau Nobel Laureate’s blog. During this interview she explains where does she come from, what has inspired her to pursue a career in science and what are her goals for the future, among many other things. 
  1. What inspired you to pursue a career in Chemistry?
  2. Who are your role models?
  3. How did you get to where you are in your career path? 
  4. What is the coolest project you have worked on and why?
  5. What’s a time you felt immense pride in yourself / your work?
  6. What is a “day in the life” of you like?
  7. What are you seeking to accomplish in your career?
  8. What do you like to do when you’re not doing research?
  9. What advice do you have for other women interested in science / in your discipline?
  10. In your opinion, what will be the next great breakthrough in in your discipline?
  11. What should be done to increase the number of female scientists and female professors in your discipline?

The 70th lindau meeting (interdisciplinary)

Isabel has been interviewed regarding her attendance to the 70th Lindau Nobel Laureate Meeting (Interdisciplinary)  by eldiario.es, Castilla La Macha Media and UAH.

Isabel is one of the ca. 600 young scientists who will attend the 70th Nobel Laureate Lindau meeting, an inspiring week with around  70 Nobel Laureates to exchange experiences and estabilish contacts in science and beyond. The meeting will cover the areas of Chemitry, Physics and Physiology or Medicine. 
Due to the events of Coronavirus, the meeting has been postponed to 2021. However, this year there was an inspiring online meeting, and the selected candidates get to go to the meeting in 2021. 
 

Due to the events of Coronavirus the event has been postponed to next year, with the posibility of an online event during this summer. 

12th May 2020

Participation in the PhD course entitled ´A career in research´ at by Universitat Jaume I

Marie Curie Fellows from different areas will lead a colloquia based on reseach oportunities after the PhD , especially focused on the MSCA program. The colloquia will be followed by questions and discussion with the PhD students.

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