Article
Materials Science, Multidisciplinary
Can Xu, Weichen Wei, Yong He
Summary: The hydrogen separation performance of molecular sieving membranes was significantly enhanced through ion exchange, showing great potential for application in hydrogen purification.
Article
Engineering, Environmental
Yanshu Shi, Yi Xie, Hui Cui, Zeid A. Alothman, Osamah Alduhaish, Rui-Biao Lin, Banglin Chen
Summary: The study investigates a metal-organic framework called Cu-F-pymo for the separation of CO2 from fuel gases and flue gas in the chemical energy industry. Cu-F-pymo exhibits excellent size-sieving effect, selectively capturing CO2 over CH4 and N-2. The small pore size and oxygen moieties of Cu-F-pymo enable the exclusive diffusion of CO2 and enhance its binding affinity. The material demonstrates high selectivity, adsorption capacity, and dynamic CO2 capture capacity, making it a promising candidate for practical carbon capture applications.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Chemical
Subhadeep Dasgupta, M. Rajasekaran, Projesh K. Roy, Foram M. Thakkar, Amar Deep Pathak, K. Ganapathy Ayappa, Prabal K. Maiti
Summary: Carbon molecular sieving membranes (CMSM) derived from 6FDA/BPDA-DAM polymer precursors show excellent adsorption and selectivity towards CO2. The length of individual carbon chains determines the morphologies and porosity of the membranes. Using molecular dynamics (MD) simulations, the study provides insights into the most feasible structures formed in experiments and estimates the corresponding membrane density. Grand canonical Monte Carlo simulations reveal enhanced adsorption capacity and selectivity for CO2 in binary mixtures of gases. The work demonstrates how slight modifications in the physical arrangements of chemical components can significantly impact the porosity and gas adsorption capacities of molecular sieving membranes.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Engineering, Chemical
Ninad D. Anjikar, Kevin R. Hinkle, Orhan Talu, Qiang Fu, Sankar Nair, Shaowei Yang
Summary: Energy-efficient CO2/C2H2 separation by membranes is critical for producing acetylene by partial combustion of natural gas. High-silica chabazite (CHA) zeolite membranes demonstrate high CO2 selectivity over C2H2, with consistent high CO2 permselectivity >30. The slight adsorption selectivity of C2H2 and the potential inconsistency between crystal and membrane diffusion results are proposed to be explained.
JOURNAL OF MEMBRANE SCIENCE
(2023)
Article
Engineering, Chemical
Yonghong Wang, Yi Zhou, Xinru Zhang, Yin Gao, Jinping Li
Summary: By incorporating microporous sodium zeoliteY (NaY) into sulfonated poly (ether ether ketone) (SPEEK), mixed-matrix membranes (MMMs) for CO2/N2 separation were successfully engineered with improved gas separation properties. The even distribution of NaY particles in the SPEEK matrix forming nanochannels enhanced CO2 permeability and selectivity, leading to superior separation performance compared to pristine SPEEK membranes.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Engineering, Environmental
Fanhui Meng, Lina Wang, Muhammad Asif Nawaz, Qian Wang, Zhiyuan Gong, Zhong Li
Summary: In this study, a dual catalyst system consisting of a bifunctional catalyst and a hydrocarbon synthesis catalyst was used to convert syngas to light hydrocarbons. The results showed that the acidity of SAPO-34 could be adjusted to achieve high selectivity of hydrocarbons and CO conversion.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Applied
Luogang Wu, Jiaqi Liu, Hua Shang, Shishuai Li, Jiangfeng Yang, Libo Li, Jinping Li
Summary: The study found that nanosized zeolite L showed higher CO2 adsorption capacity and faster diffusion and mass transfer rate due to its small crystal size, higher specific surface area, larger pore volume, and shorter channel paths. This makes it have great potential for separating and capturing CO2 from power-plant flue gas, biogas, or landfill gas.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Chemistry, Physical
James N. Burrow, J. Ehren Eichler, Yu Wang, David C. Calabro, C. Buddie Mullins
Summary: This study comprehensively screened the CO2 and N-2 adsorption performance of nitrogen-rich porous carbons and found that the N content and textural properties have different impacts on CO2 and N-2 adsorption. Increasing the N content can tune the selectivity and carbon capture performance.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Engineering, Chemical
Elham Khoramzadeh, Masoud Mofarahi, Kyounghee Chung, Chang-Ha Lee
Summary: This study demonstrates that adding around 5 wt% carbon black (CB) to zeolite 13X can significantly improve its adsorption capacity and rate for CO2 and N-2.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Polymer Science
Suixin Zhang, Yingfei Zheng, Yonghong Wu, Bing Zhang
Summary: Mixed matrix membranes (MMMs) were prepared using Pebax-1074 polymer as matrix and SAPO-23 zeolite as dopant via solvent evaporation method. The introduction of SAPO zeolite improved the CO2/N-2 selectivity of the MMMs, with the highest selectivity observed in MMMs incorporating 5% SAPO zeolite under certain conditions.
JOURNAL OF APPLIED POLYMER SCIENCE
(2021)
Article
Engineering, Chemical
Quan Liu, Minggong Chen, Guining Chen, Xiaoyue Yao, Gongping Liu, Rong Xu, Wanqin Jin
Summary: In this study, flexible graphdiyne membranes with various functional groups were computationally designed to gain insights into CO2 capture and H2 purification. The hydroxylated GDY-OH and aminated GDY-NH2 membranes show unprecedented performance for both CO2 and H2 separation.
JOURNAL OF MEMBRANE SCIENCE
(2023)
Article
Engineering, Environmental
Amir Mohammad Najafi, Saeed Soltanali, Hamid Ghassabzadeh
Summary: By utilizing a novel post-synthesis modification method, various metals were successfully incorporated into the structure of faujasite zeolites, resulting in improved CO2 adsorption capacity and selectivity. The impact of metal-doping on properties such as structure, adsorption capacity, selectivity, and diffusion coefficients was extensively studied. The findings demonstrated that the incorporation of potassium metal into faujasite zeolites showed great potential for the separation of CO2 from flue gas and natural gas streams.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Azam Aydani, Adele Brunetti, Hafez Maghsoudi, Giuseppe Barbieri
Summary: This paper investigates the impact of different gas mixtures on CO2 separation using an SSZ-13 zeolite membrane, showing good performance at 30 degrees Celsius and 200 kPa pressure, with improved selectivity for various mixed gases. The membrane demonstrated consistent CO2 permeance while reducing the permeance of other gases, leading to increased selectivity across different gas compositions.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Danhua Song, Feilong Jiang, Daqiang Yuan, Qihui Chen, Maochun Hong
Summary: A novel metal-organic framework (FJI-H38) with adaptive ultramicropores and multiple active sites has been developed for efficient CO2 separation from air. It has a high adsorption capacity and selectivity for CO2, even in high humidity conditions. The material also exhibits excellent stability, recyclability, and can be synthesized in large quantities, making it a practical adsorbent for trace CO2 capture from the air.
Article
Engineering, Environmental
Tai T. T. Nguyen, Jian-Bin Lin, George K. H. Shimizu, Arvind Rajendran
Summary: This study measured the adsorption equilibrium of pure CO2 and N-2 on a hydrophobic metal-organic framework called CALF-20, using volumetric and gravimetric methods. The competitive adsorption of CO2 and N-2 and the column dynamics were also examined. The results showed that CALF-20 had comparable performance with benchmark materials zeolite 13X and UTSA-16 in capturing CO2 under specific conditions.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Yudi Wei, Yihui Dong, Xiaoyan Ji, Faiz Ullah Shah, Aatto Laaksonen, Rong An, Kristina Riehemann
Summary: This study investigates the molecular interaction forces between ionic liquids (ILs) and charged SiO2 microspheres using colloid probe atomic force microscopy (CP-AFM). The results show that the molecular interaction force is influenced by the surface charge and the length of alkyl chains in ILs. These findings provide valuable insights for the development of models and design of ILs-based supercapacitors and battery systems.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Yihui Dong, Aatto Laaksonen, Mian Gong, Rong An, Xiaoyan Ji
Summary: This research proposes a novel strategy for the selective separation of similar proteins using cholinium-based amino acid ionic liquid loaded on a mesoporous TiO2 surface. The observed selective adsorption behavior is explained by the hydration properties and partially dissociated ions of the loaded ionic liquid. Increasing the pH increases the degree of hydration of the ionic liquid ions, weakening the interaction strength between the proteins and the substrate, leading to effective separation.
Article
Chemistry, Multidisciplinary
Zhibo Zhang, Tudor Vasiliu, Fangfang Li, Aatto Laaksonen, Xiangping Zhang, Francesca Mocci, Xiaoyan Ji
Summary: In this study, artificial cofactors were developed for the enzymatic conversion of CO2 to formic acid and integrated with electrocatalytic regeneration to improve the production of formic acid. These artificial cofactors exhibited higher catalytic performance compared to the natural cofactor NADH, with one particular cofactor showing a formic acid concentration 47 times higher than that of NADH. Thermodynamic analysis, electrochemical investigations, and molecular dynamics simulations were used to understand the structure-energy relationship and the impact of different functional groups. This study provides insights into the role of artificial cofactors in enzymatic reactions and can accelerate the development of CO2 bioelectrochemical conversion.
JOURNAL OF CO2 UTILIZATION
(2022)
Article
Chemistry, Multidisciplinary
Tudor Vasiliu, Francesca Mocci, Aatto Laaksonen, Leon De Villiers Engelbrecht, Sergiy Perepelytsya
Summary: This study uses molecular dynamics simulations to investigate the interaction and condensation mechanism between spermidine and DNA. The results show that changes in the accessible space around DNA affect the interaction between DNA and spermidine. This is important for understanding the interaction between DNA and its counterions in compacted environments such as the cellular nucleus.
FRONTIERS IN CHEMISTRY
(2022)
Review
Biochemistry & Molecular Biology
Yihui Dong, Weifeng Lin, Aatto Laaksonen, Xiaoyan Ji
Summary: This review summarizes the use of four powerful techniques, HPLC, AFM, SERS, and MD simulations, to study the interaction between protein and porous TiO2 materials at different scales. The results are expected to help optimize the commonly used techniques for characterizing the interfacial behavior of protein on porous TiO2 materials in different applications.
Article
Biochemistry & Molecular Biology
Carolina Correa Giron, Aatto Laaksonen, Fernando Luis Barroso da Silva
Summary: This study aims to expand the understanding of the interactions between SARS-CoV-2 and cell receptors and monoclonal antibodies. By using simulations, the researchers predicted the free energy of interactions between the receptor-binding domain (RBD) of different variants and ACE2 polymorphisms as well as various monoclonal antibodies. It was found that ACE2 polymorphisms commonly found in Europeans had higher binding affinities, indicating a genetic susceptibility. Additionally, the researchers computationally investigated a large set of monoclonal antibodies and identified groups with strong binding affinities, which may have potential for neutralization of current known virus mutations and a universal coronavirus.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biophysics
Andrei Neamtu, Francesca Mocci, Aatto Laaksonen, Fernando L. Barroso da Silva
Summary: This study developed a highly efficient and robust multiple scales in silico protocol to study the binding affinities of selected antigen-binding fragments of the monoclonal antibody CR3022 against 11 SARS-CoV-2 variants. The protocol identified two candidates with the best efficacy against all variants, and surprising results showed that all candidates exhibited a higher affinity for the Omicron variant despite its high number of mutations. The study also highlighted the crucial role of electrostatic interactions and provided insights for designing the best RBD binder. Furthermore, the approach is applicable to various diseases and pathogens.
COLLOIDS AND SURFACES B-BIOINTERFACES
(2023)
Article
Nanoscience & Nanotechnology
Muhammad Naeem Iqbal, Ghislaine Robert-Nicoud, Marina Ciurans-Oset, Farid Akhtar, Niklas Hedin, Tore Bengtsson
Summary: Mesoporous silica particles (MSPs) can be used as food additives, clinically for therapeutic applications, or as oral delivery vehicles. It has been demonstrated that these particles do not break down significantly and retain their function after passing through the gastrointestinal tract (GIT) in both murine models and humans. Therefore, orally ingested MSPs can be used for various clinical applications.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Oguz Gozcu, H. Utkucan Kayaci, Yibo Dou, Wenjing Zhang, Niklas Hedin, Alma B. Jasso-Salcedo, Andreas Kaiser, Simge Cinar Aygun
Summary: This study investigated the colloidal characteristics of submicron-sized zeolite NaA in mixed ethanol-water solvents. The effects of solvent mixing ratio and various additives on zeolite dispersion were studied. Zeolite NaA particles became unstable in solvent mixtures with a high ethanol-to-water ratio, and the destabilization was explained by the DLVO theory. Improved stabilization of zeolite NaA suspensions was achieved in ethanol-rich solvent mixtures using nonionic low molecular weight organic additives, particularly PEG-400.
Article
Materials Science, Multidisciplinary
Hira Kausar, Zoltan Bacsik, Niklas Hedin
Summary: Microporous polyureas with ultramicropores were synthesized using CDI and amines. These polymers exhibited high stability, CO2 adsorption capacity, and irreversible thermochromism.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Nanoscience & Nanotechnology
Rong An, Hangbing Zheng, Yihui Dong, Chang Liu, Luyu Zou, Tao Feng, Aatto Laaksonen, Xiaoyan Ji
Summary: As a powerful analytical technique, surface-enhanced Raman scattering (SERS) is widely used in various fields. In this study, biocompatible thin films of Ti-Si-Zr-Zn nanometallic glasses were used as SERS substrates. By tuning the Zn composition, the optimal substrate with 4.3% Zn showed an ultrasensitive detection of Cytochrome c (Cyt c) with an enhancement factor (EF) of 1.38 x 10(4), which is higher than previously reported semiconducting metal oxide nanomaterials. The high adhesion force and efficient separation of photoinduced electrons and holes in the Ti-Si-Zr-Zn-4.3 substrate contribute to the enhanced SERS activity.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Thermodynamics
Hui Wang, Zhida Zuo, Linghong Lu, Aatto Laaksonen, Yonglei Wang, Xiaohua Lu, Xiaoyan Ji
Summary: The electrical conductivities of dilute solutions containing ionic liquids were investigated in this study. The effects of temperature, dielectric constant, and anion size on the conductivities and ion association constants were discussed. Furthermore, the activation enthalpies of charge transport and the Walden values were determined.
FLUID PHASE EQUILIBRIA
(2023)
Article
Chemistry, Multidisciplinary
Anthony E. E. Szego, Tamara L. L. Church, Zoltan Bacsik, Aleksander Jaworski, Latif Ullah, Niklas Hedin
Summary: A heterogenized alternative method using aminated silica and a Ru-MACHOTM catalyst was developed for CO2 precapture and subsequent hydrogenation to MeOH. The support for the Ru catalyst was commercial mesoporous silica modified with three different amino-silane monomers. TEM and solid-state NMR spectroscopy were used to study the composites before and after the catalytic reaction. The gas-solid heterogeneous system was probed with gas-phase infrared spectroscopy to quantify the resulting products, and high turnover number (TON) values were observed for samples aminated with secondary amines.
Article
Materials Science, Multidisciplinary
Vahid Saadattalab, Jiquan Wu, Cheuk-Wai Tai, Zoltan Bacsik, Niklas Hedin
Summary: The study investigates the use of activated carbon (AC) for the removal of volatile organic compounds (VOCs) from gas mixtures. The inclusion of inorganic phosphates on ACs enhances the low gas pressure uptake of acetone and isopropanol. The results suggest that ACs containing iron phosphate could be effective for the adsorption-driven removal of VOCs.
Article
Chemistry, Physical
Muhammad Naeem Iqbal, Aleksander Jaworski, Arthur C. Pinon, Tore Bengtsson, Niklas Hedin
Summary: Mesoporous silica particles (MSPs) have shown potential in controlling obesity and diabetes by reducing the digestion of starch through adsorption of α-amylase. This study found that α-amylase incorporated into MSPs displayed higher activity and stability compared to the control. Biosorption of α-amylase onto MSPs was observed, and it was concluded that the reduced enzymatic activity was due to the large size of the starch probe. Further insights into the environment of α-amylase inside MSPs were provided by NMR experiments.
