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result(s) for
"metal–organic frameworks (MOFs)"
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Separation of Branched Alkanes Feeds by a Synergistic Action of Zeolite and Metal‐Organic Framework
by
Henrique, Adriano
,
Brântuas, Pedro F.
,
Wahiduzzaman, Mohammad
in
Adsorbents
,
Adsorption
,
Chemical Sciences
2022
Zeolites and metal‐organic frameworks (MOFs) are considered as “competitors” for new separation processes. The production of high‐quality gasoline is currently achieved through the total isomerization process that separates pentane and hexane isomers while not reaching the ultimate goal of a research octane number (RON) higher than 92. This work demonstrates how a synergistic action of the zeolite 5A and the MIL‐160(Al) MOF leads to a novel adsorptive process for octane upgrading of gasoline through an efficient separation of isomers. This innovative mixed‐bed adsorbent strategy encompasses a thermodynamically driven separation of hexane isomers according to the degree of branching by MIL‐160(Al) coupled to a steric rejection of linear isomers by the molecular sieve zeolite 5A. Their adsorptive separation ability is further evaluated under real conditions by sorption breakthrough and continuous cyclic experiments with a mixed bed of shaped adsorbents. Remarkably, at the industrially relevant temperature of 423 K, an ideal sorption hierarchy of low RON over high RON alkanes is achieved, i.e., n‐hexane ≫ n‐pentane ≫ 2‐methylpentane > 3‐methylpentane ⋙ 2,3‐dimethylbutane > isopentane ≈ 2,2‐dimethylbutane, together with a productivity of 1.14 mol dm−3 and a high RON of 92, which is a leap‐forward compared with existing processes. A synergistic action of the bioderived Al‐dicarboxylate metal‐organic framework MOF MIL‐160(Al) and zeolite 5A enables an efficient thermodynamic/size exclusion separation of pentane and hexane isomers into fractions of low and high research octane number and leads to an exceptional ideal productivity of 1.14 mol dm−3 and a high RON of 92.
Journal Article
Terminology of metal–organic frameworks and coordination polymers (IUPAC Recommendations 2013)
by
Champness, Neil R.
,
Chen, Xiao-Ming
,
Batten, Stuart R.
in
coordination chemistry
,
coordination networks
,
Coordination polymers
2013
A set of terms, definitions, and recommendations is provided for use in the
classification of coordination polymers, networks, and metal–organic frameworks
(MOFs). A hierarchical terminology is recommended in which the most general term
is coordination polymer. Coordination networks are a subset of coordination
polymers and MOFs a further subset of coordination networks. One of the criteria
an MOF needs to fulfill is that it contains potential voids, but no physical
measurements of porosity or other properties are demanded per se. The use of
topology and topology descriptors to enhance the description of crystal
structures of MOFs and 3D-coordination polymers is furthermore strongly
recommended.
Journal Article
Multiporphyrinic architectures: Advances in structural design for photodynamic therapy
by
Xu, Zhengwei
,
Yu, Shuangjiang
,
Sun, Hongcheng
in
Cancer therapies
,
covalent‐organic frameworks (COFs)
,
Cytotoxicity
2024
Rationally designed multiporphyrinic architectures for boosting photodynamic therapy (PDT) have attracted significant attentions recently years due to their great potential for light‐mediated generation of reactive oxygen species. However, there is still a gap between the structure design and their PDT performance for biomedical applications. This tutorial review provides a historical overview on (i) the basic concept of PDT for deeply understanding the porphyrin‐mediated PDT reactions, (ii) developing strategies for constructing porphyrinic architectures, like nanorings, boxes, metal‐organic frameworks (MOFs), covalent‐organic frameworks (COFs), vesicles, etc., where we classified into the following three categories: multiporphyrin arrays, porphyrinic frameworks, and others porphyrin assemblies, (iii) the various application scenarios for clinical cancer therapy and antibacterial infection. Also, the existing challenges and future perspectives on the innovation of porphyrinic architectures for clinical PDT applications are mentioned in the end section. Moreover, the porphyrinic nanomaterials with atomically precise architectures provide an ideal platform for investigating the relationship between structures and PDT outputs, design of personalized “all‐in‐one” theranostic agents, and the popularization and application in wider biomedical fields. Structural design of multiporphyrinic architectures for for boosting photodynamic therapy (PDT) have attracted significant attentions due to their great potential for light‐mediated generation of reactive oxygen species. In this review, different strategies for structural construction and photodynamic properties are summarized. In addition, their applications in cancer therapy and antibacterial therapy are mentioned.
Journal Article
A Bioinspired Manganese‐Organic Framework Ameliorates Ischemic Stroke through its Intrinsic Nanozyme Activity and Upregulating Endogenous Antioxidant Enzymes
by
Wang, Yang
,
Wang, Jian
,
Xiaohalati, Xiakeerzhati
in
Animals
,
antioxidant enzyme
,
Antioxidants
2023
Following stroke, oxidative stress induced by reactive oxygen species (ROS) aggravates neuronal damage and enlarges ischemic penumbra, which is devastating to stroke patients. Nanozyme‐based antioxidants are emerging to treat stroke through scavenging excessive ROS. However, most of nanozymes cannot efficiently scavenge ROS in neuronal cytosol and mitochondria, due to low‐uptake abilities of neurons and barriers of organelle membranes, significantly limiting nanozymes’ neuroprotective effects. To overcome this limitation, a manganese‐organic framework modified with polydopamine (pDA‐MNOF), capable of not only mimicking catalytic activities of natural SOD2's catalytic domain but also upregulating two endogenous antioxidant enzymes in neurons is fabricated. With such a dual anti‐ROS effect, this nanozyme robustly decreases cellular ROS and effectively protects them from ROS‐induced injury. STAT‐3 signaling is found to play a vital role in pDA‐MNOF activating the two antioxidant enzymes, HO1 and SOD2. In vivo pDA‐MNOF treatment significantly improves the survival of middle cerebral artery occlusion (MCAo) mice by reducing infarct volume and more importantly, promotes animal behavioral recovery. Further, pDA‐MNOF activates vascular endothelial growth factor expression, a downstream target of STAT3 signaling, thus enhancing angiogenesis. Taken together, the biochemical, cell‐biological, and animal‐level behavioral data demonstrate the potentiality of pDA‐MNOF as a dual ROS‐scavenging agent for stroke treatment. By mimicking the catalytic domains of natural antioxidant enzymes, a de novo metal‐organic framework modified with polydopamine is fabricated. It not only possesses superoxide dismutase‐like nanozyme activities but also biologically upregulates two endogenous antioxidant enzymes (HO1 and SOD2) through STAT3 signaling, effectively scavenging excessive reactive oxygen species and thereby powerfully salvaging neurons from ischemic insult poststroke.
Journal Article
Hydrophobic pore space constituted in macroporous ZIF-8 for lipase immobilization greatly improving lipase catalytic performance in biodiesel preparation
2020
Background During lipase-mediated biodiesel production, by-product glycerol adsorbing on immobilized lipase is a common trouble that hinders enzymatic catalytic activity in biodiesel production process. In this work, we built a hydrophobic pore space in macroporous ZIF-8 (named as M-ZIF-8) to accommodate lipase so that the generated glycerol would be hard to be adsorbed in such hydrophobic environment. The performance of the immobilized lipase in biodiesel production as well as its characteristics for glycerol adsorption were systematically studied. The PDMS (polydimethylsiloxane) CVD (chemical vapor deposition) method was utilized to get hydrophobic M-ZIF-8-PDMS with hydrophobic macropore space and then ANL (Aspergillus niger lipase) was immobilized on M-ZIF-8 and M-ZIF-8-PDMS by diffusion into the macropores. Results ANL@M-ZIF-8-PDMS presented higher enzymatic activity recovery and better biodiesel production catalytic performance compared to ANL@M-ZIF-8. Further study revealed that less glycerol adsorption was observed through the hydrophobic modification, which may attribute to the improved immobilized lipase performance during biodiesel production and ANL@M-ZIF-8-PDMS remained more than 96% activity after five cycles’ reuse. Through secondary structure and kinetic parameters’ analysis, we found that ANL@M-ZIF-8-PDMS had lower extent of protein aggregation and twice catalytic efficiency (Vmax/Km) than ANL@M-ZIF-8. Conclusions Hydrophobic pore space constituted in macroporous ZIF-8 for lipase immobilization greatly improved lipase catalytic performance in biodiesel preparation. The hydrophobic modification time showed negligible influence on the reusability of the immobilized lipase. This work broadened the prospect of immobilization of enzyme on MOFs with some inspiration.
Journal Article
Toward accurate prediction of N2 uptake capacity in metal-organic frameworks
by
Naghizadeh, Arefeh
,
Atashrouz, Saeid
,
Hemmati-Sarapardeh, Abdolhossein
in
639/166
,
639/166/898
,
Adsorbents
2025
The efficient and cost-effective purification of natural gas, particularly through adsorption-based processes, is critical for energy and environmental applications. This study investigates the nitrogen (N
2
) adsorption capacity across various Metal-Organic Frameworks (MOFs) using a comprehensive dataset comprising 3246 experimental measurements. To model and predict N
2
uptake behavior, four advanced machine learning algorithms—Categorical Boosting (CatBoost), Extreme Gradient Boosting (XGBoost), Deep Neural Network (DNN), and Gaussian Process Regression with Rational Quadratic Kernel (GPR-RQ)—were developed and evaluated. These models incorporate key physicochemical parameters, including temperature, pressure, pore volume, and surface area. Among the developed models, XGBoost demonstrated superior predictive accuracy, achieving the lowest root mean square error (RMSE = 0.6085), the highest coefficient of determination (R
2
= 0.9984), and the smallest standard deviation (SD = 0.60). Model performance was rigorously validated using statistical metrics and graphical analysis. Trend consistency with experimental data confirmed that XGBoost accurately captures the effect of pressure on N₂ uptake. Additionally, SHAP (Shapley Additive Explanations) analysis identified temperature as the most influential factor in adsorption prediction. Finally, an outlier assessment using the Leverage method indicated that approximately 94% of the data points were statistically valid and within the model’s applicability domain.
Journal Article
Size‐Related Electrochemical Performance in Active Carbon Nanostructures: A MOFs‐Derived Carbons Case Study
2019
Metal–organic framework–derived carbon nanostructures have generated significant interest in electrochemical capacitors and oxygen/hydrogen catalysis reactions. However, they appear to show considerably varied structural properties, and thus exhibit complex electrochemical–activity relationships. Herein, a series of carbon polyhedrons of different sizes, between 50 nm and µm, are synthesized from zeolitic imidazolate frameworks, ZIF‐8 (ZIF‐derived carbon polyhedrons, ZDCPs) and their activity is studied for capacitance and the oxygen reduction reaction (ORR). Interestingly, a well‐correlated performance relationship with respect to the particle size of ZDCPs is evidenced. Here, the identical structural features, such as specific surface area (SSA), microporosity, and its distribution, nitrogen doping, and graphitization are all strictly maintained in the ZDCPs, thus allowing identification of the effect of particle size on electrochemical performance. Supercapacitors show a capacity enhancement of 50 F g−1 when the ZDCPs size is reduced from micrometers to ≤200 nm. The carbonization further shows a considerable effect on rate capacitance—ZDCPs of increased particle size lead to drastically reduced charge transportability and thus inhibit their performance for both the charge storage and the ORR. Guidelines for the capacitance variation with respect to the particle size and SSA in such carbon nanostructures from literature are presented. Carbon‐based nanostructures are indispensable for supercapacitors, fuel cells, and batteries. Advancement in this area requires critical understanding of the form and function. Here, a well‐correlated relationship is demonstrated for the performance of supercapacitors and the oxygen reduction reaction with respect to particle size of metal–rganic frameworks–derived carbon. Surface area, pore‐size distribution, nitrogen doping, and graphitization are all maintained identical.
Journal Article
Charge-transfer interactions between fullerenes and a mesoporous tetrathiafulvalene-based metal–organic framework
by
Calbo, Joaquín
,
Walsh, Aron
,
Mañas-Valero, Samuel
in
Buckminsterfullerene
,
Charge transfer
,
Density functional theory
2019
The design of metal–organic frameworks (MOFs) incorporating electroactive guest molecules in the pores has become a subject of great interest in order to obtain additional electrical functionalities within the framework while maintaining porosity. Understanding the charge-transfer (CT) process between the framework and the guest molecules is a crucial step towards the design of new electroactive MOFs. Herein, we present the encapsulation of fullerenes (C 60 ) in a mesoporous tetrathiafulvalene (TTF)-based MOF. The CT process between the electron-acceptor C 60 guest and the electron-donor TTF ligand is studied in detail by means of different spectroscopic techniques and density functional theory (DFT) calculations. Importantly, gas sorption measurements demonstrate that sorption capacity is maintained after encapsulation of fullerenes, whereas the electrical conductivity is increased by two orders of magnitude due to the CT interactions between C 60 and the TTF-based framework.
Journal Article
Two‐Dimensional Bis(dithiolene)iron(II) Self‐Powered UV Photodetectors with Ultrahigh Air Stability
2021
Organometallic two‐dimensional (2D) nanosheets with tailorable components have recently fascinated the optoelectronic communities due to their solution‐processable nature. However, the poor stability of organic molecules may hinder their practical application in photovoltaic devices. Instead of conventional organometallic 2D nanosheets with low weatherability, an air‐stable π‐conjugated 2D bis(dithiolene)iron(II) (FeBHT) coordination nanosheet (CONASH) is synthesized via bottom‐up liquid/liquid interfacial polymerization using benzenehexathiol (BHT) and iron(II) ammonium sulfate [Fe(NH4)2(SO4)2] as precursors. The uncoordinated thiol groups in FeBHT are easily oxidized, but the Fe(NH4)2(SO4)2 dissociation rate is slow, which facilitates the protection of sulfur groups by iron(II) ions. The density functional theory calculates that the resultant FeBHT network gains the oxygen‐repelling function for oxidation suppression. In air, the FeBHT CONASH exhibits self‐powered photoresponses with short response times (<40 ms) and a spectral responsivity of 6.57 mA W−1, a specific detectivity of 3.13 × 1011 Jones and an external quantum efficiency of 2.23% under 365 nm illumination. Interestingly, the FeBHT self‐powered photodetector reveals extremely high long‐term air stability, maintaining over 94% of its initial photocurrent after aging for 60 days without encapsulation. These results open the prospect of using organometallic 2D materials in commercialized optoelectronic fields. The organometallic bis(dithiolene)iron(II) (FeBHT) 2D coordination nanosheets (CONASHs) are used to fabricate self‐powered photodetectors, resulting in a superior UV photoresponse. The effective suppression of oxygen molecule adsorption on FeBHT CONASHs is responsible for the device stability in air. This function provides guidance for the design of unstable organic–inorganic 2D hybrid nanomaterials in practical optoelectronic devices.
Journal Article
Metal‐Organic Framework‐Based Supercapacitors: A Comprehensive Review
by
Patil, Mrunal M.
,
Panda, Dillip K.
,
Sadavar, Sonali P.
in
Batteries
,
Carbon
,
Chemical elements
2026
Metal‐organic frameworks (MOFs) are considered to be one of the important class of materials for energy storage devices, particularly for supercapacitors (SCs), having tunable pore sizes, large surface area, and the possibility of numerous organic‐inorganic compositions. This review covers various synthesis strategies as well as fundamental properties of MOFs benefiting SCs. The MOFs and their derived materials, such as metal oxide nanostructures, binary metal oxides, porous carbon, and their functional composites, are highlighted with respect to the SC applications. Furthermore, the review emphasizes a collection of promising data to revolutionize the design of MOF‐based porous electrode materials, enhancing SCs performance. In addition, the challenges and future trends of using MOFs and MOF derivatives as electrode materials for SCs in the real world are provided with relevance and practical applications. Also, several aspects providing valuable insights for the development of the next generation of high‐efficiency SCs by shedding light on the future applications are briefly discussed.
Journal Article