Article
Chemistry, Physical
Silvio Dantas, Katie Cychosz Struckhoff, Matthias Thommes, Alexander V. Neimark
Summary: The study introduces a new method for evaluating pore structures in carbon materials, using high-pressure CO2 adsorption isotherms to determine the pore size distribution in both micro- and mesopores. By utilizing Monte Carlo simulations and meso-canonical ensemble methods, capillary condensation transitions in mesopores were successfully predicted, demonstrating the feasibility of the technique in micro-mesoporous carbon materials.
Article
Chemistry, Multidisciplinary
Yihui Dong, Aatto Laaksonen, Qingwei Gao, Xiaoyan Ji
Summary: This study systematically investigates the molecular forces and interfacial behavior between cytochrome c and TiO2 by adjusting the concentration of buffer ions. It was found that the molecular forces peak at an ionic strength between 0.8 and 1.0 M, with the mechanism explained by the dissociation and hydration of ions at the interfaces. Furthermore, the ionic strength also affects the hydrodynamic size, zeta potential value, and interfacial behavior of cytochrome c molecules on TiO2 surfaces, ultimately providing a detailed understanding on controlling protein interfacial behavior with solid surfaces.
Review
Chemistry, Multidisciplinary
Kun Lan, Qiulong Wei, Dongyuan Zhao
Summary: This Review discusses the synthesis of novel mesoporous TiO2 materials, with a focus on the monomicelle assembly strategy for controlling the formation of mesostructured TiO2. Typical applications of mesoporous TiO2 in batteries and photocatalysis are highlighted, and the outlook for the synthesis of mesoporous TiO2 with tailored architectures through self-assembly is discussed.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Ya-Jie Liu, Yinghua Yu, Yi-Fan Sun, Wei-Hui Fang, Jian Zhang
Summary: Heterometallic cluster-based framework materials have great research value due to their porous structures and multi-metallic reactivity. In this study, we successfully designed a controllable synthesis of atomically precise heterometallic cluster-based framework compounds and explored their application as catalysts in aldol reactions.
Article
Green & Sustainable Science & Technology
Ningsi Wei, Jisheng Yang, Kaiqiang Dong, Yanyuan Fang, Zhiyong Quin
Summary: This study fabricated bovine serum albumin amyloid fibril aerogels, and by adding branched polyethyleneimine, the mechanical properties and adsorption capacity of the adsorbents were improved significantly. The maximum adsorption capacity of the aerogel was found to be 3.01 times higher than that of pure protein aerogel for Cu (II), and it also showed good adsorption quantity for other heavy metal ions and organic pollutants.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Materials Science, Multidisciplinary
Demeng Xia, Yang Wang, Rui Wu, Qingyuan Zheng, Guoqiang Zhang, Shuogui Xu, Panyu Zhou
Summary: The study investigates the effects of different mesopore pore sizes on the material biology and osteogenic properties of bone repair scaffolds. The results show that a 20 nm pore size scaffold can enhance stem cell adhesion and sustain the release of BMP-2, leading to better bone regeneration.
APPLIED MATERIALS TODAY
(2022)
Article
Chemistry, Physical
Husam Al Araj, Daniel Bahamon, K. Suresh Kumar Reddy, Lourdes F. Vega, Georgios N. Karanikolos
Summary: In this study, molecular dynamics and Monte Carlo simulation techniques were applied to investigate the CO2 physisorption performance and predict the chemisorption performance of blended amine chains inside the mesoporous structure of silica KIT-6. It was found that triamine chains formed complex arrangements where the middle amine groups were isolated, hindering amine-amine proton transfer. Among all tested amine blends, short primary monoamine chains achieved the highest CO2 adsorption per amine group (CO2/N ratio) of 0.479, although all amine blends exhibited higher overall CO2 uptake and CO2/N ratio than pure triamine. The results highlight the importance of studying accessibility and orientation for understanding CO2 adsorption on amines and determining the most favorable reaction pathways kinetically. The methodology proposed in this study provides a fast optimization technique for amine-functionalized silica materials in CO2 capture applications.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Sarah McColman, Rui Li, Selena Osman, Amanda Bishop, Kathleen P. Wilkie, David T. Cramb
Summary: This study used Fluorescence Correlation/Cross Correlation Spectroscopy and Fluorescence Resonance Energy Transfer to directly analyze four different nanoparticle systems, finding surface heterogeneity to be a key factor in protein binding to these nanoparticles. The early hard corona is conceptualized as low-ratio, non-uniform binding rather than a uniform monolayer.
Article
Food Science & Technology
Xue Zhang, Zihan Sun, Jinxia Liu, Tao Wang, Bolin Zhang, Hongfei Zhao
Summary: The aim of this study was to investigate the influence of bovine serum albumin (BSA) on the Lactobacillus-strain-mediated removal of benzo[a]pyrene (BaP). Combination of BSA with bacterial cells had varying levels of BaP removal for different strains. BSA enhanced the affinity between the bacterial cells and BaP, with its stability and surface properties affecting the binding process.
Article
Spectroscopy
Haohao Wang, Ruihong Lv, Shanshan Gao, Yuan Wang, Ning Hao, Yingli An, Yichen Li, Yongsheng Ji, Mingzhuo Cao
Summary: The interaction between functionalized degradable dendritic mesoporous silica nanoparticles (DDMSNs) and bovine serum albumin (BSA) was studied using multi-spectroscopy techniques. The results showed that the surface modification of nanoparticles had a significant impact on their physicochemical properties and biological effects. The binding modes and driving forces between nanoparticles and BSA were found to be diverse due to different surface modifications on DDMSNs, DDMSNs-NH2, and DDMSNs-NH2-HA.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Biology
Andrew J. Stout, Addison B. Mirliani, Miriam L. Rittenberg, Michelle Shub, Eugene C. White, John S. K. Yuen, David L. Kaplan
Summary: Cell-cultured meat offers the potential for a more sustainable, ethical, resilient, and healthy food system. This study developed a low-cost serum-free media (Beefy-9) by adapting the B8 media for bovine satellite cells, enabling long-term satellite cell expansion without sacrificing myogenicity.
COMMUNICATIONS BIOLOGY
(2022)
Article
Engineering, Environmental
Xueying Cheng, Renquan Guan, Yunning Chen, Yudan Qian, Qingkun Shang, Yingnan Sun
Summary: In this study, the adsorption and photocatalytic degradation of oxytetracycline (OTC) were investigated using different metal-doped TiO2 nanocatalysts (M-TiO2, M = Fe, Co, Ni, Cr). The effects of different metal dopants on the adsorption and degradation abilities of TiO2 were studied. The photocatalytic performance of Fe-TiO2 was found to be excellent due to the synergy between the separation ability of photogenerated carriers and the adsorption ability of pollutants.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Biophysics
Yueli Zhang, Zhilan Ye, Ruixuan He, Yuyang Li, Bei Xiong, Mengqi Yi, Yuqi Chen, Jia Liu, Bo Lu
Summary: This study developed a drug carrier consisting of hollow mesoporous silica nanoparticle (HMSNs) encapsulated with folic acid-modified bovine serum albumin (BSA-FA) for tumor targeting and controlled drug release. The carrier achieved specific intracellular drug delivery through folic acid and released the drug in response to intracellular conditions. The targeted and controlled drug release properties of the carrier make it a promising approach for cancer treatment.
COLLOIDS AND SURFACES B-BIOINTERFACES
(2023)
Article
Polymer Science
Simge Ozturk, Nalan Demir
Summary: In this paper, the adsorption process of bovine serum albumin (BSA) on the [p(HEMA)-g-CTS]/MMT superabsorbent nanocomposite was investigated. The [p(HEMA)-g-CTS]/MMT superabsorbent nanocomposite was synthesized using free radical polymerization. Various techniques, such as FTIR, SEM, TGA, and swelling test, were employed to characterize the structure of the synthesized [p(HEMA)-g-CTS]/MMT superabsorbent nanocomposite. The influence of adsorption parameters on the adsorption process was evaluated and the results showed that the superabsorbent nanocomposite had a high affinity to BSA.
POLYMERS FOR ADVANCED TECHNOLOGIES
(2023)
Review
Chemistry, Physical
An-Ya Lo, Fariborz Taghipour
Summary: The use of ordered mesoporous materials in artificial photosynthesis for CO2 photoreduction shows great promise, due to their specific pore structures and reaction mechanisms offering unique advantages in this process.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Chemistry, Multidisciplinary
Hao Xiong, Deepak Devegowda, Liangliang Huang
Review
Chemistry, Physical
Guobing Zhou, Liangliang Huang
Summary: This review summarises recent advances in the molecular-level understanding of the first adsorbed water layer (FAWL) on solid substrates, including the evolution of FAWL structures on metal surfaces, the effect of substrate surface morphology on water structures, and the adsorption structures of FAWL on metal oxide surfaces.
MOLECULAR SIMULATION
(2021)
Article
Engineering, Chemical
Shanshan Wang, Guobing Zhou, Yunhao Sun, Liangliang Huang
Summary: By investigating the structural and diffusion properties of water in the UiO-66 metal-organic framework, insights can be gained into the fundamental understanding of water behavior inside it, which is helpful for the design and development of the next generation porous materials with appropriate water properties.
Article
Engineering, Chemical
Luchao Jin, Yongming He, Guobing Zhou, Qiuhao Chang, Liangliang Huang, Xingru Wu
Summary: This study used molecular dynamics simulation to calculate natural gas mixture densities at extremely high pressure and high temperature conditions, confirming the reliability of the simulation approach and extending the applicability range of the Dranchuk & Abou-Kassem (DAK) EOS.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2021)
Review
Engineering, Chemical
Shanshan Wang, Liangliang Huang, Yumeng Zhang, Licheng Li, Xiaohua Lu
Summary: Researching the adsorption equilibria, kinetics, and temperature increase of VOC in porous materials is crucial for safe production and cost reduction. This review discusses factors affecting VOC adsorption in activated carbons, summarizes existing prediction models, and proposes a new model based on intermolecular interaction for efficient adsorbents design.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Physical
Yao An, Alfred Kleinhammes, Patrick Doyle, En-Yi Chen, Yan Song, Amanda J. Morris, Bradley Gibbons, Meng Cai, J. Karl Johnson, Priyanka B. Shukla, Minh Nguyen Vo, Xin Wei, Christopher E. Wilmer, Jonathan P. Ruffley, Liangliang Huang, Trenton M. Tovar, John J. Mahle, Christopher J. Karwacki, Yue Wu
Summary: By using in situ H-1 nuclear magnetic resonance (NMR) isotherm technique, the macroscopic thermodynamic and kinetic properties of molecular adsorption and transport in metal-organic frameworks (MOFs) were measured, while obtaining microscopic information revealed by adsorbed molecules via NMR. The separate isotherms for molecules adsorbed in distinct environments in MOF UiO-66 were obtained, correlating with nucleus-independent chemical shift, molecular dynamics, and mass transfer rate as measured by NMR and elucidated by classical Monte Carlo simulations to gain a mechanistic view of the adsorption process.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Xueping Wang, Yiping Huang, Li Li, Liangliang Huang, Xiangshu Chen, Zhen Yang
Summary: In this study, molecular dynamics simulations were conducted to investigate the structure, dynamics, and hydrogen bonds in imidazolium-based ionic liquid mixtures with varying concentrations of [BF4](-) anions. The results revealed that as the concentration of [BF4](-) anions increased, the association extent between cations and anions weakened, leading to faster rotation speeds.
Article
Chemistry, Multidisciplinary
Weiwei Sun, Qiaoqiao Liu, Guihong Lin, Jian Zhou, Liangliang Huang, Chang Liu
Summary: The study reveals that HPMA can serve as a nucleation inhibitor, impacting the crystallization process of NaHCO3.
Article
Chemistry, Physical
Shanshan Wang, Madeleine C. Oliver, Yao An, Enyi Chen, Zhibin Su, Alfred Kleinhammes, Yue Wu, Liangliang Huang
Summary: Defect engineering can manipulate the properties of metal-organic frameworks, with missing linkers impacting adsorption and self-diffusion in MOFs. The strength of interaction between unsaturated metal sites and adsorbates affects the self-diffusion rate.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Multidisciplinary
Parisa Marashizadeh, Mohammad Abshirini, Mrinal Saha, Liangliang Huang, Yingtao Liu
Summary: The study investigated the interfacial properties of ZnO nanowire/carbon fiber-reinforced epoxy composites using MD simulations. Results showed that the addition of ZnO nanowires increased the interfacial strength and adhesion energy of the hybrid system.
Article
Engineering, Chemical
Shanshan Wang, Jingjing Chen, Licheng Li, Liangliang Huang, Xiaohua Lu, Songlin Zuo
Summary: The study investigated the factors affecting the mass transfer rate of methane in porous materials and established a linear nonequilibrium thermodynamic mass transfer model, providing theoretical support for the use of natural gas as vehicle fuel.
Article
Nanoscience & Nanotechnology
Parisa Marashizadeh, Mohammad Abshirini, Mrinal Saha, Liangliang Huang, Yingtao Liu
Summary: This study investigated the interfacial properties of ZnO nanowire-enhanced carbon fiber polymer composites, showing that reducing the diameter of ZnO NW can improve interfacial properties, while increasing the loading temperature weakens the interface. The results also revealed the sensitivity of the interface to the twisting angle of ZnO with respect to graphene's crystal.
ACS APPLIED NANO MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Shanshan Wang, Zhenru Cao, Licheng Li, Nanhua Wu, Liangliang Huang, Songlin Zuo, Xiaohua Lu
Summary: This paper investigates the impact of gas adsorption and diffusion on membrane separation and proposes a method for screening high-performance membrane materials. It provides new insights into membrane separation and facilitates the screening of high-performance membrane materials.
Article
Chemistry, Physical
Madeleine C. Oliver, Shanshan Wang, Liangliang Huang, Muhammad Kasule, Yue Wu
Summary: This study investigates the behavior of water in the Zr-based MOF NU-1000 under different loadings using molecular dynamics simulations. The results suggest that NU-1000, with its structural stability and hydrolytic efficiency, has the potential for effective water adsorption and decomposition of hazardous species in hydrolysis applications such as chemical warfare agent disposal.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Review
Chemistry, Multidisciplinary
Madeleine C. Oliver, Liangliang Huang
Summary: "Metal-organic frameworks (MOFs) have emerged as promising materials for the destruction of chemical warfare agents (CWAs). This review paper focuses on the experimental and computational studies investigating the removal of CWAs, particularly nerve agents and sulfur mustard, by MOFs. It highlights the potential of zirconium-based MOFs, which exhibit extraordinary stability and reusability, in the hydrolytic and photooxidative degradation of CWAs."