Article
Thermodynamics
Alessandro Casto, Francesco Maria Bellussi, Michele Diego, Natalia Del Fatti, Francesco Banfi, Paolo Maioli, Matteo Fasano
Summary: This study investigates the heat and mass transfer properties of Carbon Nanotubes (CNTs) and their relationship with the surface properties of CNTs and the interface thermal exchange between CNTs and solvent. Molecular dynamics simulations are used to analyze the entrance and exit of water molecules in CNTs and the thermal boundary resistance between CNTs and water. The results provide insights for the design of CNT-based devices in nanothermal and nanobiological environments.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)
Article
Chemistry, Multidisciplinary
Amit Srivastava, Jamal Hassan, Dirar Homouz
Summary: Water dynamics in nanochannels, especially in small carbon nanotubes, are influenced by confinement. Molecular dynamics simulations were performed to investigate the structure and dynamics of water in carbon nanotubes of various sizes and temperatures. The results showed that the radial density profile of water in small nanotubes had a single peak near the tube walls, while larger nanotubes exhibited coaxial tubular sheets of water molecules. Subdiffusive behavior was observed in ultra-narrow nanotubes, while Fickian diffusion was evident in larger nanotubes. The hydrogen bond correlation function of water in the nanotubes decayed slower than in bulk water, with the decay rate decreasing as the nanotube diameter increased.
Review
Chemistry, Multidisciplinary
Aris Chatzichristos, Jamal Hassan
Summary: Confined water inside carbon nanotubes has unique properties and wide applications. This review provides an overview of the properties of water in carbon nanotubes, based on nuclear magnetic resonance and molecular dynamics studies. It explains contradictory results in the literature and identifies debatable issues, open problems, and future research directions.
Article
Engineering, Chemical
Weigao Zhao, Yimei Tian, Xianxian Chu, Limin Cui, Hongwei Zhang, Mei Li, Peng Zhao
Summary: MMWCNTs combine the satisfactory adsorption properties of MWCNTs with the magnetic separation of nanoparticles, exhibiting remarkable magnetic separability and high adsorption capacity. The TC adsorption onto MMWCNTs mainly involves chemical and monolayer adsorption, and the regeneration performance is excellent, maintaining a high removal efficiency even after six cycles.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Engineering, Environmental
Wanwen Shan, Jiang Du, Kai Yang, Tianbin Ren, Decheng Wan, Hongting Pu
Summary: A novel superhydrophobic and superoleophilic polystyrene/carbon nanotubes foam (PCF) was successfully fabricated for oil/water separation, with high absorption capacity and fast absorption rate. The foam also efficiently removes organic liquids and shows potential in oil spill treatment and chemical accident remediation.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Physics, Multidisciplinary
F. Sadeghi, S. Ajori
Summary: This paper investigates the dynamic behavior of nano-oscillators made of lysozyme molecule inside titania nanotubes and analyzes the effects of electrostatic and van der Waals interactions on the oscillation frequency. The results show that the net charge of lysozyme and the size of nanotubes play important roles in the total interactions of the system.
EUROPEAN PHYSICAL JOURNAL PLUS
(2022)
Article
Chemistry, Multidisciplinary
Lu Qiu, Feng Ding
Summary: Revealing the true picture of the carbon nanotube growth front at the catalyst surface is crucial for understanding the mechanism of controlled CNT growth. Through simulation experiments, it has been found that a clean CNT-catalyst interface dominates the growth kinetics during real CNT experimental growth, indicating the feasibility of controlling CNT growth by tuning the CNT-catalyst interface.
Article
Nanoscience & Nanotechnology
Yuyang Zhao, Jinrui Zhang, Gang Qiao, Dongshuai Hou, Biqin Dong, Hongyan Ma
Summary: This study investigates the synergistic effect of carboxylated carbon nanotubes and poly(vinyl alcohol) on the mechanical properties of cement paste. The results demonstrate that their combination significantly increases the flexural strength of the cement paste and the strength enhancement mechanism is revealed from the perspectives of cement matrix enhancement and interface enhancement.
ACS APPLIED NANO MATERIALS
(2022)
Article
Polymer Science
Harnoor Singh Sachar, Nico Marioni, Everett S. Zofchak, Venkat Ganesan
Summary: We present a theoretical formalism that quantifies the interplay between cation-ligand interaction strength and dynamical ionic correlations on salt diffusivities in ligand-functionalized polymer membranes. Our results show that ionic correlations speed up the diffusivities of both ligand-selective and ligand-agnostic salts compared to the ideal, uncorrelated case. The speedup is due to positively correlated motion among mobile ions at low interaction strengths and correlated hopping of cations bound to ligands at high interaction strengths.
Article
Chemistry, Applied
Peihu Shen, Jun Wen, Biqin Dong, Minjia Wang
Summary: Carbon nanotubes (CNT) were added to ethylene-chlorotrifluoroeethylene (ECTFE) coatings on carbon steel to enhance the corrosion protection performance. The addition of CNT improved the resistance against water penetration through different mechanisms.
PROGRESS IN ORGANIC COATINGS
(2024)
Article
Chemistry, Physical
Qin Wang, Lang Liu, Chao Liu, Jiasheng Song, Xuechao Gao
Summary: The diffusion of water in nanochannels, particularly in carbon nanotubes, is influenced by factors such as the formation of a depletion layer, the reduced lifetime of hydrogen bond networks, and the increase in CNT diameter. Additionally, water transport in different CNTs experiences different diffusion modes, potentially explaining discrepancies in measured water flowrates in different studies.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Materials Science, Composites
Hang Zhang, Zhipeng Zhou, Jiali Qiu, Pengwan Chen, Weifu Sun
Summary: The study found that the elastic properties of carbon nanotubes/polyethylene composites are affected by intrinsic defects, and the individual elastic properties of CNTs and the interfacial interaction between CNTs and the matrix are key factors influencing the composite material properties.
COMPOSITES COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Cecile A. C. Chazot, Behzad Damirchi, Byeongdu Lee, Adri C. T. van Duin, A. John Hart
Summary: Molecularly organized nanocomposites of polymers and carbon nanotubes show great promise as high-performance materials. However, achieving controllable interaction between the polymer and carbon nanotubes remains a challenge. In this study, the researchers successfully coated carbon nanotubes with a conformal coating of meta-aramid, providing insights for future investigation of the mechanical properties of these composites and the application of in situ polymerization to other substrates.
Article
Physics, Multidisciplinary
Andre Fabian Castellanos-Aldama, Minerva Gonzalez-Melchor
Summary: We conducted a computer simulation study on the interaction between the herbicide 2,4-dichlorophenoxyacetic acid and a single-walled (6,5) carbon nanotube in water. Our results showed that the herbicide molecules and the nanotube form a complex. The study suggests that using carbon nanotubes for removing 2,4-D herbicide from water is feasible.
Article
Chemistry, Physical
Chuanbiao Zhang, Mingzhe Shao, Xin Zhou
Summary: In this study, molecular dynamics simulation was used to investigate the freezing of water semiconfined between two finite-sized nanoparticles. The results show that semiconfinement can promote ice nucleation of the enclosed water, depending on the number of ice layers and the separation of the nanoparticles. The study also found that the frozen inside water serves as seeds to promote the ice nucleation of outside bulk water, but semiconfinement cannot significantly raise the freezing temperature of the outside water compared to homogeneous nucleation temperature.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Lianxue Zhang, Shitong Zhang, Jiaying Xu, Youyun Li, Jinlin He, Ying Yang, Tien Huynh, Peihong Ni, Guangxin Duan, Zaixing Yang, Ruhong Zhou
ACS APPLIED MATERIALS & INTERFACES
(2020)
Article
Pharmacology & Pharmacy
Jia Gu, Yu-Zhong Chen, Zi-Xiang Zhang, Zai-Xing Yang, Guang-Xin Duan, Li-Qiang Qin, Lin Zhao, Jia-Ying Xu
Article
Toxicology
Huizhen Zheng, Zonglin Gu, Yanxia Pan, Jie Chen, Qianqian Xie, Shujuan Xu, Meng Gao, Xiaoming Cai, Shengtang Liu, Weili Wang, Wei Li, Xi Liu, Zaixing Yang, Ruhong Zhou, Ruibin Li
Summary: This study revealed the distinct toxic mechanisms of La2O3 as a representative REO in G(-) and G(+) bacteria, indicating that La2O3-induced membrane damages of G(-) cells accumulated into pulmonary microbiota imbalance exhibiting synergistic pulmonary toxicity.
PARTICLE AND FIBRE TOXICOLOGY
(2021)
Article
Biophysics
Xuejie Xie, Zhenyu Hou, Guangxin Duan, Shitong Zhang, Hong Zhou, Zaixing Yang, Ruhong Zhou
Summary: The study found that boron nitride nanosheets can damage red blood cell membranes, leading to hemolysis. Molecular dynamics simulations revealed that the penetration effect of boron nitride nanosheets into cell membranes was thermodynamically favorable due to strong attractive van der Waals interactions with phospholipids. Overall, these findings provide valuable insights for future de novo design of BN-based nanodevices with better biocompatibility.
COLLOIDS AND SURFACES B-BIOINTERFACES
(2021)
Article
Nanoscience & Nanotechnology
Meiyun Xu, Tao Wang, Bin Yu, Zaixing Yang, Xiaolin Wang, Ruhong Zhou, Daoben Hua, Shitong Zhang
Summary: This study proposes a novel design of Pt nanocatalyst by modifying a conjugated microporous polymer, which shows excellent catalytic performance in hydrogen isotope oxidation and reduces the energy barrier and isotope effect.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Environmental Sciences
Qing Guo, Ying Yang, Lin Zhao, Jian Chen, Guangxin Duan, Zaixing Yang, Ruhong Zhou
Summary: The exposure of graphene oxide (GO) has been shown to have negative effects on fruit flies, including weight loss, delayed development, slower motion, and shortened lifespan. The toxicity of GO is related to its severe damage to nutrient absorption in fruit fly midguts, caused by the excessive accumulation of reactive oxygen species (ROS) triggering oxidative stress. However, the influence of GO on the sex ratio and total number of pupae and adults of fruit flies is insignificant.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Nanoscience & Nanotechnology
Xiuhua Yin, Shitong Zhang, Ling Wen, Juan Su, Jian Huang, Guangxin Duan, Zaixing Yang
Summary: The oxidation state of graphene derivatives has a nonmonotonic effect on their destructive effects on cell membranes, with medium oxygen content showing the most serious destructive effects. The decrease in surface oxygenated groups exposes more sp2 carbon area, facilitating the damage of cell membranes, while fewer oxygenated groups lead to the accumulation of graphene-based nanosheets, reducing the extraction effect on cell membranes. This study provides important insights for the application of graphene derivatives in biomedicine.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Xia Wang, Fuyin Ma, Shengtang Liu, Lixi Chen, Shunshun Xiong, Xing Dai, Bo Tai, Linwei He, Mengjia Yuan, Pinhong Mi, Shicheng Gong, Guodong Li, Yi Tao, Jun Wan, Long Chen, Xuhui Sun, Quan Tang, Linfeng He, Zaixing Yang, Zhifang Chai, Shuao Wang
Summary: Radon, a major culprit for lung cancer, can be efficiently captured by the metal-organic framework ZIF-7-Im guided by computational screening and modeling. This material can reduce the radon concentration in the environment to below the detection limit, showing a significant improvement in removal depth compared to activated charcoal.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Panli Han, Lianxue Zhang, Yaqi Fu, Youyu Fu, Jianxiang Huang, Jinlin He, Peihong Ni, Taimoor Khan, Yang Jiao, Zaixing Yang, Ruhong Zhou
Summary: This study developed a dual-response delivery system that releases the drug at tumor sites by using low-dose X-ray and reactive oxygen species, which significantly improves tumor hypoxia levels and enhances the antitumor efficacy. The system shows high accuracy and low side effects on normal cells.
Article
Chemistry, Medicinal
Jian Huang, Juan Su, Zhenyu Hou, Jing Li, Zheming Li, Zhu Zhu, Shengtang Liu, Zaixing Yang, Xiuhua Yin, Gang Yu
Summary: 2D nanomaterials, including Ti3C2Tx MXene, have been widely used in biomedical applications due to their biocompatibility. In this study, the cytocompatibility of Ti3C2Tx was studied with red blood cells (RBCs) and human umbilical vein endothelial cells (HUVECs), and it was found that Ti3C2Tx exhibited excellent compatibility with both cell lines.
CHEMICAL RESEARCH IN TOXICOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Hongyan Zeng, Xiaomin Geng, Shitong Zhang, Bo Zhou, Shengtang Liu, Zaixing Yang
Summary: Radon and its decay products are a primary source of public exposure to natural ionizing radiation, which poses significant health risks, including being a leading cause of lung cancer. Porous material-based adsorbents offer a feasible and efficient solution for controlling Radon concentrations in various environments. However, finding candidates with higher affinity and capacity for capturing Radon in humid air remains a significant challenge due to competitive adsorption with water.
Article
Engineering, Environmental
Tianxiang Wu, Zhenyu Hou, Xuehua Li, Zaixing Yang, Wenqi Dong, Shengtang Liu, Yang Huang, Jingwen Chen, Ruibin Li
Summary: By using the d-band center as a descriptor, a universal structure-activity relationship of the membrane-damaging capability of rare earth oxide (REO) nanoparticles was established. The biotransformation behavior of two typical REOs (Gd2O3 and CeO2) on erythrocyte membranes was investigated, and it was found that dephosphorylation through stripping phosphate from phospholipids is closely related to the membrane destructive effects of REOs. Density functional theory calculations revealed the crucial role of the d-band center in dephosphorylation, and a universal structure-activity relationship of the membrane-damaging capability of 13 REOs was uncovered. The impact of ion release on dephosphorylation and physical damage to cell membranes by Gd2O3 was largely excluded. These findings provide a theoretical basis for the safe application of REOs and offer a clear physicochemical microscopic picture of their biotransformation on the nano-biointerface.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Materials Science, Biomaterials
Guotao Yuan, Shitong Zhang, Zaixing Yang, Shunjie Wu, Huanjun Chen, Xin Tian, Si Cheng, Yue Pan, Ruhong Zhou
Summary: This study introduces Cu into Pd to form a series of 2D PdCu alloy nanodendrites, which exhibit high catalytic activity in antibacterial applications. The PdCu alloy nanodendrites also show excellent capability in eliminating biofilms through the generation of hydroxyl radicals. This research offers a great opportunity for designing noble metal nanozymes with enhanced performance.
BIOMATERIALS SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Xinyu Zhang, Shitong Zhang, Zaixing Yang, Zhuanhua Wang, Xin Tian, Ruhong Zhou
Summary: MoS2 nanozymes exhibit activities of four major cellular cascade antioxidant enzymes and attenuate electron transfer under stress conditions, showing promising potential as antioxidative agents.
Article
Chemistry, Physical
Hong Zhou, Youyun Li, Ying Yang, Shengtang Liu, Zaixing Yang
Summary: The study found that lanosterol can protect the structure of H γ D-Crys affected by tryptophan oxidation, reducing protein aggregation tendency. Exploring the mutant N-terminal structure provides important insights for developing cataract drugs.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)