Article
Chemistry, Physical
Sibali Debnath, Krishnan Raghavachari
Summary: This study investigates the noncovalent forces involved in the self-assembly of tricarb macrocycles and reveals the major contributing interactions through computational analysis. The results obtained shed light on the stability and construction of 3D structures in tricarb and related compounds.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Medicine, Research & Experimental
Wanwu Dai, Pan Jin, Xingyan Li, Jinmin Zhao, Ying Lan, Hongmian Li, Li Zheng
Summary: Researchers designed a new carrier-free self-assembly nanomedicine Curcumin (Cur)/icariin (ICA) nanoparticles with adjustable particle size. These nanoparticles showed low cytotoxicity, high cellular uptake, sustained drug release, and the ability to inhibit inflammatory cytokine secretion and reduce cartilage degeneration. Both in vitro and in vivo experiments demonstrated that the nanoparticles had superior synergism effects in anti-inflammatory and cartilage protection compared to using Cur or ICA alone, and their retention could be monitored by autofluorescence.
BIOMEDICINE & PHARMACOTHERAPY
(2023)
Review
Chemistry, Multidisciplinary
Ruimin Xiao, Guiqin Yu, Ben Bin Xu, Nan Wang, Xuqing Liu
Summary: This article reviews the current research status and practical applications of surface/interface engineering techniques on fiber materials, introducing a new self-assembly method and the promising candidacy of metal-oxide framework fibers in wearable electronics. It advances the understanding of surface/interfacial engineering on fiber materials and is expected to guide the rational design of future fiber-based wearable electronics.
Article
Chemistry, Physical
Long Su, Jichao Sun, Feng Ding, Xinpei Gao, Liqiang Zheng
Summary: The study investigated the oil/water interfacial properties of different zwitterionic surfactant combined with an anionic surfactant. Results showed that the synergistic effect between surfactants is greatly affected by the aromatic cation part of the zwitterionic surfactants. The adsorption mechanisms and compactness of the surfactant monolayer at the oil/water interface vary in different systems, influencing the oil/water interfacial tension.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Environmental
Xin-Ran Zhang, Jian-Gang Guo, Li-Jun Zhou
Summary: This study investigates the effects and mechanisms of environmental pH and graphene edges on the adsorption properties between graphene and benzene using experimental and theoretical approaches. The results show that benzene is more likely to adsorb on the surface of graphene in acidic environments, and the adsorption performance is better in the center of graphene compared to the edges. The pH effect is influenced by changes in electrostatic interaction, while the edge effect is dominated by van der Waals interaction.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Instruments & Instrumentation
Shaojun Chen, Zhenghe Ren, Ming Chen, Heng Chen, Haitao Zhuo, Haiqiang Zhong
Summary: In this study, self-healing elastomers based on pi-pi stacking between imidazole groups were prepared using a simpler and faster photo-polymerization method. The elastomers showed excellent self-repairing properties and could recover their original strength and elongation at break at high temperatures. These new composite elastomers have great potential for applications in electronic skins, wearable devices, biomedical applications, and soft robotics.
SMART MATERIALS AND STRUCTURES
(2023)
Article
Agricultural Engineering
Zhirou Wang, Hyun Min Jang
Summary: This study evaluated the relationship between pyrolysis temperature, characteristics of swine manure-derived biochar, and its adsorption of levofloxacin. The results showed that the surface area and graphitization degree of the biochar increased with temperature, leading to higher adsorption capacity. Characterization and adsorption experiments revealed multiple mechanisms involved in the adsorption process. The study confirms the potential utility of swine manure-derived biochar for antibiotic removal.
BIORESOURCE TECHNOLOGY
(2022)
Article
Physics, Fluids & Plasmas
Joanna Grelska, Karolina Jurkiewicz, Andrzej Nowok, Sebastian Pawlus
Summary: Molecular dynamics simulations with x-ray diffraction experiments showed that replacing the cyclic ring with a phenyl ring in alcohols leads to a significant difference in their nanostructure by reducing the number of H-bonded clusters. Phenyl alcohols form clusters through phenyl ring organization, likely due to OH•••π and π•••π interactions. Compared to cyclic alcohols, the supramolecular structure of phenyl alcohols is more heterogeneous and governed by the formation of various clusters due to different interactions. This research provides insights into the association process through H bonding and competitive aggregation caused by phenyl rings.
Article
Pharmacology & Pharmacy
Lingling Qi, Chao Liu, Yingying Zhang, Zheao Zhang, Hongxia Duan, Heming Zhao, Xin Xin, Liqing Chen, Mingji Jin, Youyan Guan, Zhonggao Gao, Wei Huang
Summary: Micelle is commonly used for drug delivery, but faces challenges with encapsulating water-soluble drugs and maintaining stability. Fmoc-Lys-PEG and Fmoc-Lys-PEG-RGD copolymers were designed to address these issues, successfully encapsulating a water-soluble drug using hydrogen bonding. The nanoparticles showed high anti-tumor activity both in vitro and in vivo.
Article
Nanoscience & Nanotechnology
Peng Huang, Tuzhi Xiong, Shuhui Zhou, Hao Yang, Yongchao Huang, M-Sadeeq Jie Tang Balogun, Yuanli Ding
Summary: By forming a pi-pi stacking interaction between electrochemically activated carbon cloth (CC/ACC) and biomass-derived carbon (BMDC), the electrode showed improved storage capacity and performance for lithium ion batteries. First-principles calculations showed that the tri-layer carbon design facilitates electron movement and ion transportation, enhancing the mechanical and electronic properties of the electrode.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Nanoscience & Nanotechnology
Maha Mohamed Samy, Mohamed Gamal Mohamed, Ahmed F. M. EL-Mahdy, Tharwat Hassan Mansoure, Kevin C-W Wu, Shiao-Wei Kuo
Summary: A series of conjugated microporous polymers were synthesized, with TBN-TPE-CMP showing high surface area and thermal stability. Blending with highly conductive single-walled carbon nanotubes improved the conductivity of the materials, with TBN-Py-CMP/SWCNT nanocomposite exhibiting high capacitance and excellent capacitance retention.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Review
Biochemistry & Molecular Biology
Hiromi Oshita, Yuichi Shimazaki
Summary: The pi-pi stacking interaction is a weak interaction that plays an important role in protein structure stabilization and functionalization. This article discusses the effect of the pi-pi stacking interaction between alkylthio-substituted phenoxyl radical and an indole ring.
Article
Biochemistry & Molecular Biology
Udari A. Acharige, Graham C. Saunders
Summary: The crystal structures of two compounds containing multiple elements were determined, and the study found structural differences between them. The strength of hydrogen bonding was found to be related to the type of halide present in the compounds.
Article
Chemistry, Multidisciplinary
Azadeh Afzali, Maryam F. Abdollahi, Baiyu Zhang, Yuming Zhao
Summary: The effects of electron-donating and electron-withdrawing substituents on the electronic absorption, electrochemical redox, and solid-state supramolecular self-assembling properties of Ph-DTF and TTFV systems were investigated in this study.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Engineering, Chemical
Peiying Mo, Daijun Fu, Ping Chen, Qianxin Zhang, Xiaoshan Zheng, Jun Hao, Xiaoqin Zhuang, Haijin Liu, Guoguang Liu, Wenying Lv
Summary: In this study, two classes of ionic covalent organic frameworks (iCOFs) with different pore sizes were used as adsorbents for the removal of NSAIDs. The iCOFs showed strong affinity for DCF and KT, as well as good adsorption-desorption cycle performance.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Physical
Brijesh Kumar Mishra, Ramanathan Venkatnarayan
THEORETICAL CHEMISTRY ACCOUNTS
(2018)
Article
Biochemistry & Molecular Biology
Shyam Vinod Kumar Panneer, Mahesh Kumar Ravva, Brijesh Kumar Mishra, Venkatesan Subramanian, Narayanasami Sathyamurthy
JOURNAL OF MOLECULAR MODELING
(2018)
Article
Chemistry, Physical
Ashutosh Gupta, Brijesh Kumar Mishra, Narayanasami Sathyamurthy
COMPUTATIONAL AND THEORETICAL CHEMISTRY
(2019)
Article
Engineering, Biomedical
Christopher L. Yankaskas, Keyata N. Thompson, Colin D. Paul, Michele Vitolo, Panagiotis Mistriotis, Ankit Mahendra, Vivek K. Bajpai, Daniel J. Shea, Kristen M. Manto, Andreas C. Chai, Navin Varadarajan, Aikaterini Kontrogianni-Konstantopoulos, Stuart S. Martin, Konstantinos Konstantopoulos
NATURE BIOMEDICAL ENGINEERING
(2019)
Article
Multidisciplinary Sciences
Samaneh Moghadasi Boroujeni, Alison Koontz, Georgios Tseropoulos, Laura Kerosuo, Pihu Mehrotra, Vivek K. Bajpai, Surya Rajan Selvam, Pedro Lei, Marianne E. Bronner, Stenos T. Andreadis
SCIENTIFIC REPORTS
(2019)
Article
Chemistry, Physical
Premaja R. Remya, Brijesh Kumar Mishra, C. N. Ramachandran, N. Sathyamurthy
CHEMICAL PHYSICS LETTERS
(2019)
Article
Chemistry, Physical
C. David Andersson, Brijesh Kumar Mishra, Nina Forsgren, Fredrik Ekstrom, Anna Linusson
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Engineering, Biomedical
Bin Sheng Wong, Sagar R. Shah, Christopher L. Yankaskas, Vivek K. Bajpai, Pei-Hsun Wu, Deborah Chin, Brent Ifemembi, Karim ReFaey, Paula Schiapparelli, Xiaobin Zheng, Stuart S. Martin, Chen-Ming Fan, Alfredo Quinones-Hinojosa, Konstantinos Konstantopoulos
Summary: A microfluidic assay has been shown to successfully categorize patients with glioblastoma based on progression-free survival, predict time to recurrence, and classify patients accurately with an 86% accuracy rate. RNA sequencing of highly motile cells revealed differentially expressed genes associated with poor prognosis.
NATURE BIOMEDICAL ENGINEERING
(2021)
Article
Optics
Subhasish Mallick, Brijesh Kumar Mishra, Pradeep Kumar, Narayanasami Sathyamurthy
Summary: The effect of confinement on ammonia inversion inside C50 and C60 fullerenes differs, with changes observed in both the barrier energy and the splitting of bound states.
EUROPEAN PHYSICAL JOURNAL D
(2021)
Correction
Genetics & Heredity
David Gokhman, Rachel M. Agoglia, Maia Kinnebrew, Wei Gordon, Danqiong Sun, Vivek K. Bajpai, Sahin Naqvi, Coral Chen, Anthony Chan, Chider Chen, Dmitri A. Petrov, Nadav Ahituv, Honghao Zhang, Yuji Mishina, Joanna Wysocka, Rajat Rohatgi, Hunter B. Fraser
Article
Genetics & Heredity
David Gokhman, Rachel M. Agoglia, Maia Kinnebrew, Wei Gordon, Danqiong Sun, Vivek K. Bajpai, Sahin Naqvi, Coral Chen, Anthony Chan, Chider Chen, Dmitri A. Petrov, Nadav Ahituv, Honghao Zhang, Yuji Mishina, Joanna Wysocka, Rajat Rohatgi, Hunter B. Fraser
Summary: The study of human-chimpanzee hybrid induced pluripotent stem cells reveals evidence of lineage-specific selection on the hedgehog signaling pathway, which may have contributed to the unique craniofacial morphology of humans. This approach offers a new perspective on understanding gene expression differences between species.
Article
Chemistry, Physical
Arti Saroj, Venkatnarayan Ramanathan, Brijesh Kumar Mishra, Aditya N. Panda, Narayanasami Sathyamurthy
Summary: The study of interaction energy values in endohedral fullerenes has shown significant variations. In this research, we used a new method and basis set to obtain reliable interaction energy values, and conducted local energy decomposition analysis to estimate the components of the interaction energy.
Article
Chemistry, Multidisciplinary
Pavan Kumar Perepu, Brijesh Kumar Mishra, Aditya N. Panda
Summary: In this study, we used Machine Learning techniques to predict potential energy profiles for rare gas dimers and the H-2 molecule. We developed an Artificial Neural Network (ANN) model with one to two layers and two to eight neurons per layer to make these predictions. Comparisons between the ANN predicted energy values and the ab initio data showed excellent agreement. The root mean squared deviation (RMSD) values for the test data were determined to be 0.10, 0.22, 0.03, and 0.47 cm(-1) for He-2, Ne-2, Kr-2, and Ar-2, respectively. Furthermore, the ANN method successfully fit the potential energy profiles for both weak van der Waals dimers and covalently bound molecules.
JOURNAL OF CHEMICAL SCIENCES
(2023)
Article
Chemistry, Physical
Amit Kumar, Subhasish Mallick, Brijesh Kumar Mishra, Pradeep Kumar
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
Subhasish Mallick, Amit Kumar, Brijesh Kumar Mishra, Pradeep Kumar
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
