Article
Chemistry, Physical
Faen Song, Xiaojing Yong, Xuemei Wu, Wei Zhang, Qingxiang Ma, Tiejian Zhao, Minghui Tan, Zhongshan Guo, Heng Zhao, Guohui Yang, Noritatsu Tsubaki, Yisheng Tan
Summary: The capsule catalyst FeMn@HZSM-5 was shown to effectively reduce CO2 formation and increase olefins selectivity in Fischer-Tropsch to olefins (FTO) reaction, outperforming other physically mixing catalysts. The HZSM-5 shell played a key role in affecting H2O diffusion and suppressing the water-gas shift reaction.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Chemistry, Physical
Yanfei Xu, Guangyuan Ma, Jingyang Bai, Yixiong Du, Chuan Qin, Mingyue Ding
Summary: A catalyst with FeMn nanoparticles as the yolk and hollow HZSM-5 zeolite as the shell was designed to achieve high space time yield (STY) for aromatics, outperforming previously reported catalytic systems significantly. The enhanced catalytic performance was attributed to the spatially and temporally ordered effect of the yolk@shell structure, which fully exploited the shape-selective effect and aromatization ability of HZSM-5 zeolite. The findings provided a strategy for constructing highly efficient multifunctional catalysts, which could be potentially applied to other tandem catalysis systems.
Article
Chemistry, Physical
Muhammad Asif Nawaz, Minzhe Li, Maria Saif, Guiyao Song, Zihao Wang, Dianhua Liu
Summary: The alloying of Fe and Co, along with modulation of calcination temperatures and Fe/Mn/Co molar ratios, led to the formation of catalysts with diverse structures and reactivity, thereby improving the efficiency of converting syngas to aromatic hydrocarbons.
Article
Energy & Fuels
Can Zhu, Chao Huang, Mingwei Zhang, Yizhuo Han, Kegong Fang
Summary: Constructing hierarchically structured FeMnK@H-S-1(x) catalysts can enhance light olefins selectivity in Fischer-Tropsch synthesis, with the hierarchy factor playing a key role in promoting light olefins formation. Maximizing the hierarchy factor benefits the coordination of shape selective function and transport efficiency, leading to boosted light olefins selectivity on the synthesized catalysts. Additionally, moderate H-2 activation capacity and suppressed olefins secondary reactions also contribute to the enhanced light olefins selectivity.
Article
Chemistry, Physical
Rui Hu, Tianye Wang, Yifan Wang, Yuan Zhu, Li Xie, Enhui Xing, Yu Wu, Zhijian Da
Summary: A nano-hollow zeolite-encapsulating ultra-fine Fe nanoparticle catalyst, Fe@Sn-h-HT, was synthesized via water steam treatment of the Fe@Sn-h catalyst prepared by the dissolution-recrystallization (D-R) method. Fe@Sn-h-HT catalyst possessed a hierarchical porous structure and a well-dispersed Fe2O3 particles with a size of 3.4 nm. Additionally, characterization methods such as XRD, HAADF-STEM, and H-2-TPR confirmed the transformation of skeleton Fe in Fe@Sn-h into uniformly dispersed Fe2O3 in Fe@Sn-h-HT catalyst. The higher selectivity and yield of C-2-C-4(=) compared to reference catalysts Fe/S and Fe@Sn-h provided strong evidence for the confined catalysis of the metal@zeolite catalyst.
Article
Chemistry, Applied
Haochen Qi, Chuang Xing, Weiguo Huang, Mingquan Li, Yujia Jiang, Xu Sun, Heyang Liu, Peng Lu, Jiangang Chen, Shuyao Chen
Summary: In this study, a hierarchical capsule catalyst is designed to improve olefin selectivity and iso-paraffin selectivity, facilitating the control of product distribution in FT reaction.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Chemistry, Physical
Ting Wang, Yuebing Xu, Yufeng Li, Lei Xin, Bing Liu, Feng Jiang, Xiaohao Liu
Summary: This study reports the use of Na-mediated bimetallic Fe-Ni catalyst simply mixed with HZSM-5 to enhance the stable and selective production of aromatics from syngas. The addition of Ni with Na substantially regulates iron carbide formation and suppresses carbon deposition, leading to increased selectivity to light alpha-olefins. The presence of Na weakens the Fe-Ni interaction, reduces electron transfer from Fe to Ni, and promotes the formation of lighter olefins, demonstrating the potential for developing stable and selective iron-based catalysts for the production of FT products.
Article
Chemistry, Multidisciplinary
Yang Cheng, Yong Chen, Shuxian Zhang, Xiaoting Wu, Chide Chen, Xin Shi, Ming Qing, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong
Summary: Direct conversion of CO2 to aromatics using renewable hydrogen sources is a promising method to reduce CO2 emissions and replace fossil resources. A bifunctional catalyst, CuFeO2/hierarchical HZSM-5, demonstrated excellent performance in converting CO2 to aromatics. By eliminating external surface acidity, the selectivity of p-xylene in xylenes was significantly improved.
Article
Energy & Fuels
Agija Stanke, Valdis Kampars
Summary: The transportation sector's significant contribution to greenhouse gas emissions has prompted the search for sustainable and renewable alternatives to fossil fuels. This study focused on the synthesis of mesoporous Fe/SBA-15 catalysts using natural clays as binders and promoters. The results showed that catalysts agglomerated with kaolin exhibited better performance, and catalysts in powdered form had higher CO conversion rates.
Article
Energy & Fuels
Maria Saif, Muhammad Asif Nawaz, Minzhe Li, Guiyao Song, Zihao Wang, Chonghao Chen, Dianhua Liu
Summary: Aromatic hydrocarbons are important raw materials for chemicals and have become a research focus in recent years. In this study, a modified FeZnMg catalyst was combined with an HZSM-5 catalyst for direct aromatic synthesis from syngas. The addition of Zn improved the reduction process of Fe oxide, while the addition of Mg enhanced the carburization behavior of Fe species. The synergistic interaction of bimetallic species in the FeZnMg catalyst promoted the formation of Fe carbide and achieved high aromatic selectivity.
Article
Engineering, Chemical
Pengfei Lu, Jie Liang, Kangzhou Wang, Bo Liu, Thachapan Atchimarungsri, Yuan Wang, Xingjun Zhang, Jumei Tian, Yongjun Jiang, Zhihao Liu, Prasert Reubroycharoen, Tiansheng Zhao, Jianli Zhang, Xinhua Gao
Summary: Researchers reported a multifunctional catalyst for the hydrogenation of carbon dioxide to higher hydrocarbon. The optimized catalyst exhibited excellent selectivity and conversion, resulting in a significant production of higher hydrocarbon.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Physical
Roman E. Yakovenko, Grigory B. Narochnyi, Ivan N. Zubkov, Ekaterina A. Bozhenko, Yash V. Kataria, Roman D. Svetogorov, Alexander P. Savost'yanov
Summary: This article presents a simple method for producing high-octane gasoline from CO and H-2 using a Co-Al2O3/SiO2/HZSM-5/Al2O3 hybrid catalyst. By adjusting the pressure and temperature, the content of branched hydrocarbons can be increased. The experimental batch of gasoline fraction produced under the optimized process parameters has an octane number of 78.5 units.
Article
Chemistry, Physical
Xiaoxue Han, Jing Lv, Shouying Huang, Qiao Zhao, Yue Wang, Zhenhua Li, Xinbin Ma
Summary: The conversion of syngas to liquid fuels and chemicals using Fischer-Tropsch synthesis is a promising alternative route. In this study, carbon-encapsulated nanoparticles were synthesized to control particle size and improve catalytic activity. The catalytic performance of these nanoparticles (Fe@C) was found to be superior to conventional carbon-supported nanoparticles (Fe/C). By tuning the particle size, a peak in iron time yield was obtained, suggesting that particle size plays a significant role in catalytic performance. This study provides insights into the size effect on Fe-based catalytic Fischer-Tropsch synthesis.
Article
Energy & Fuels
Zhunzhun Ma, Weixin Qian, Haitao Zhang, Hongfang Ma, Qiwen Sun, Weiyong Ying
Summary: The research found that the effects of magnesium and lithium on the catalyst can enhance CO adsorption, improve FTO activity, weaken carbonization process, increase the selectivity of light olefins, as well as promote CO conversion, and decrease CO2 production.
Article
Energy & Fuels
Zhonghao Han, Weiyong Ying, Haitao Zhang, Hongfang Ma, Weixin Qian
Summary: Co-precipitated FeSi-cp catalysts, impregnated FeSi-im catalyst, and core-shell Fe@Si catalysts synthesized through different methods were characterized using various techniques. The configuration between Fe and Si was found to significantly influence the catalyst performance. FeSi-cp and FeSi-im exhibited high dispersion but were prone to agglomeration in FTS reactions. On the other hand, Fe@Si displayed high crystallinity and strong CO chemisorption capacity, promoting the formation of Fe5C2. Additionally, the SiO2 shell in the core-shell structure prevented carbon deposition and inhibited the production of C-5(+) species. The FTS performance results demonstrated that the core-shell Fe@Si catalysts exhibited higher selectivity towards C-2(=)4= and better stability over a period of 120 hours.
Article
Biology
Safoura Soleymani, Amin Tavassoli, Mohammad Reza Housaindokht
Summary: Vaccination remains the most effective strategy for preventing and controlling infectious diseases, but conventional vaccines cannot control some highly dangerous pathogens. Recent advances in science and technology have provided new prospects for vaccine development, with new methods including recombinant protein vaccines, DNA and RNA vaccines, etc.
COMPUTERS IN BIOLOGY AND MEDICINE
(2022)
Article
Chemistry, Applied
Zahra Keyvanloo, Ali Nakhaei Pour, Fatemeh Moosavi
Summary: The adsorption and diffusion behaviors of H-2, CO2, CO, MeOH, and EtOH in ZIF-8 were studied in pure and mixed states. The results showed different trends for the diffusion coefficients and adsorption isotherms of the guest molecules. The separation of MeOH from other molecules in the mixture was also investigated.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Asyeh Barkhoda, Alireza Nowroozi, Mohammad Reza Housaindokht
Summary: In this study, several models were proposed to estimate the energy of individual hydrogen bonds in traditional base pairs. The computational results showed that the energy in the first method is higher and the NHN interactions are stronger. Additionally, the calculated individual HB energies of the base pairs are similar to the compliance constant model.
STRUCTURAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Mahmoud Bazrafshan, Mohammad Vakili, Sayyed Faramarz Tayyari, Fadhil S. Kamounah, Poul Erik Hansen, Mohammad Reza Housaindokht
Summary: This research investigates the molecular structure and intramolecular hydrogen bonding of 5-amino-2,2,6,6-tetramethyl-4-hepten-3-one using spectroscopic techniques and computational analysis. The results show agreement between the calculated and crystallographic geometrical parameters. A comparison with other compounds suggests the potential of this system as a molecular switch.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
Saeideh Nakhaei-Rad, Fatemeh Janatifard, Radovan Dvorsky, Mohammad R. R. Ahmadian, Mohammad R. R. Housaindokht
Summary: Germline mutations in the C-terminus of CRAF kinase, particularly L603, and S612T/L613V, are associated with congenital heart disorders, such as dilated cardiomyopathy and hypertrophic cardiomyopathy. The study investigates the impacts of these mutations on the conformation of the CRAF kinase domain and provides a mechanistic basis for the contradictory effects of the CRAF variants associated with different heart disorders.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Masoumeh Nosrati, Mohammad Reza Housaindokht
Summary: Molecular dynamics simulation was used to study the structural and dynamic changes of Staphylococcal protein A mutants. The results showed that point mutations can cause structural changes both near and far from the mutation site. The study also revealed insights into the binding mechanism between the protein and IgG.
JOURNAL OF STRUCTURAL BIOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Saja Mohammed Abdulkareem, M. R. Housaindokht, M. R. Bozorgmehr
Summary: This paper examines the interaction between amyloid-beta and two different surfactants, showing their effects on the aggregation of the protein. The calculations suggest potential interactions between peptide residues and surfactants.
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Organic
Behrooz Maleki, Ali Jamshidi, Sahar Peiman, Mohammad Reza Housaindokht
Summary: An easy, efficient, and environmentally friendly catalytic protocol for the synthesis of medicinally important heterocycles is needed to reduce biological pollution and use environmentally friendly and inexpensive solvents. A novel multi-functional composite, C3N4/Fe3O4@P2W15V3, was constructed and effectively synthesized for this purpose. This heterogeneous catalyst produced various tetrahydrobenzo[b]pyran derivatives in the presence of ethanol as a green solvent, allowing for high yield, short reaction time, and high purity due to the presence of a heterogeneous and reusable catalyst.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Engineering, Chemical
Farzad Haghighi, Ali Ahmadpour, Ali Nakhaei Pour
Summary: Carbon aerogel was synthesized as a novel catalyst support for Fischer-Tropsch synthesis. Cobalt-doped carbon aerogel catalysts were synthesized using different strategies, and the size of cobalt particles affected the methane selectivity. Hydrogen spillover from the support to metallic particles improved reducibility and enhanced the production of hydrogenated products.
CHEMICAL ENGINEERING & TECHNOLOGY
(2023)
Article
Biology
Safoura Soleymani, Fatemeh Janati-fard, Mohammad Reza Housaindokht
Summary: Infectious Bursal Disease (IBD) is a common and contagious viral infection that affects poultry, suppressing their immune system. Vaccination is an effective method to prevent and control this disease. VP2-based DNA vaccines combined with biological adjuvants have been proven effective in promoting immune responses. In this study, a fused bioadjuvant candidate vaccine was designed using bioinformatics tools, which has the potential for antigen display and adjuvant activity. The study also highlighted the importance of investigating the immune response induced by this proposed vaccine in avian hosts.
COMPUTERS IN BIOLOGY AND MEDICINE
(2023)
Article
Chemistry, Inorganic & Nuclear
Mahnoosh Hakimi-Tabar, Mohammad Vakili, Vahidreza Darugar, Mahmood Akbari, Sayyed Faramarz Tayyari, Mohammad Reza Housaindokht
Summary: The conformation, geometry, and relative energies of Cu(DIMHD)(2) and Cu(DMHD)(2) were evaluated using AIM analysis, TD-DFT, NBO, and DFT. The electronic and vibrational spectra of these compounds were studied using experimental infrared, Raman, and UV spectra. The O-Cu bond strength in Cu(DIMHD)(2) and Cu(DMHD)(2) was found to be between Cu(TMHD)(2) and Cu(AA)(2) and close to Cu(HPD)(2) based on experimental, spectroscopic, and DFT results.
TRANSITION METAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Elham Rajaee, Mohammad Izadyar, Mohammad Reza Housaindokht
Summary: This study aimed to design rational molecularly imprinted polymers (MIPs) for detecting renal failure biomarkers using pyrrole as the functional monomer. Theoretical optimization and frequency calculations were conducted to determine the appropriate molar ratio, solvent, and cross-linking agent for each MIP. Non-polar solvents and divinylbenzene were found to be effective in stabilizing the pre-polymerization complex and achieving high selectivity for the target templates. Theoretical analysis revealed the formation of strong hydrogen bonds between pyrroles and template molecules, providing novel insights for the design of MIPs.
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2023)
Article
Chemistry, Inorganic & Nuclear
Ali Nakhaei Pour, Ali Mohammadi
Summary: In this study, ZSM-5 zeolite was prepared without organic templates using a hydrothermal process, and the synthesis kinetics were investigated based on crystal growth. The results showed that increasing the Na+ content in the initial gel composition decreased the activation energy for crystal growth and enhanced the crystallization rate of ZSM-5 zeolite.
INORGANIC AND NANO-METAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Hassan Monhemi, Hai Nam Hoang, Daron M. Standley, Tomoko Matsuda, Mohammad Reza Housaindokht
Summary: We present a new water-dependent mechanism for the protein stabilizing osmolyte TMAO. Traditional theories fail to explain TMAO's behavior, but recent data suggests direct interactions between TMAO and proteins. Our study shows that altering the water environment and protein surface characteristics can address the weaknesses of existing theories about the mechanism of TMAO.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Ali Nakhaei Pour, Ali Mohammadi
Summary: This study investigated the effect of synthesis conditions on the crystal growth, structural features, acidity, and catalytic properties of hierarchical ZSM-5 zeolite in n-heptane cracking. The results showed that the crystallization rate of hierarchical ZSM-5 increased with the amount of SiO2 and Na2O in the initial gel, as well as the reaction temperature. Additionally, by adjusting the initial gel composition and reaction temperature, the porosity, acidity, and crystal size of hierarchical ZSM-5 could be controlled. The selectivity of ethylene and propylene in the heptane cracking reaction was found to be influenced by the acidity and micropore to mesopore ratio of the prepared zeolites, as predicted by both experimental and simulation results.
NEW JOURNAL OF CHEMISTRY
(2022)
