Article
Chemistry, Multidisciplinary
Xun Gong, Seon-Yeong Kwak, Soo-Yeon Cho, Daniel Lundberg, Albert Tianxiang Liu, Melissa Keiko McGee, Michael S. Strano
Summary: This study presents the synthesis of Pd-conjugated ss(GT)(15)-DNA-wrapped SWCNTs as near-infrared fluorescent sensors for methane detection. The sensors demonstrated the ability to detect methane at low concentrations, and the results advanced the necessary hardware and computational methods for environmental methane sensing.
Article
Chemistry, Physical
Artem K. Grebenko, Grigorii Drozdov, Yuriy G. Gladush, Igor Ostanin, Sergey S. Zhukov, Aleksandr V. Melentyev, Eldar M. Khabushev, Alexey P. Tsapenko, Dmitry V. Krasnikov, Boris Afinogenov, Alexei G. Temiryazev, Viacheslav V. Dremov, Traian Dumitrica, Mengjun Li, Hussein Hijaz, Vitaly Podzorov, Leonard C. Feldman, Albert G. Nasibulin
Summary: Fabricating nanostructured metasurfaces is a significant challenge, as the nanoscale patterning and control of optical properties remains unresolved. This study reports the application of atomic force microscope lithography for nanoscale patterning of single-walled carbon nanotube films and the associated tuning of optical reflection coefficient. The findings from simulations of nanotube samples and predictions of their impact on mechanical properties support the development of patterned optical devices using nanofibrous matter.
Article
Biochemistry & Molecular Biology
Ji Young Lee, Changhoon Lee, Eiji Osawa, Jong Woan Choi, Jung Chul Sur, Kee Hag Lee
Summary: The study reveals that C-70@SWCNT nanopeapods may be more sensitive to thermal decomposition at high temperatures than C-60@SWCNT, and the formation of double-walled carbon nanotubes may start with the fragmentation of C-70 within the SWCNT structure.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Tao Qi, Yaolun Yu, Yanyan Hu, Kangjie Li, Nan Guo, Yi Jia
Summary: A high-performance near-IR photodetector is fabricated by assembling SWCNT films onto n-type Ge substrate with ozone treatment, and the formed oxide layer suppresses leakage current and carriers' recombination. The device exhibits enhanced responsivity, detectivity, and rapid response time.
Article
Thermodynamics
X. K. Yu, Y. B. Tao, Y. He, Z. C. Lv
Summary: Metal foam/paraffin/SWCNT phase change material with high thermal conductivity was prepared by a two-step method. The addition of SWCNT effectively enhanced the thermal conductivity and extended the temperature control time.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Thermodynamics
JinHyeok Cha, Kei Hasegawa, Jeonyoon Lee, Itai Y. Stein, Asuka Miura, Suguru Noda, Junichiro Shiomi, Shohei Chiashi, Brian L. Wardle, Shigeo Maruyama
Summary: The study demonstrates that thermal diffusivity and conductivity of SWCNT forests increase when the volume fraction exceeds 17%, indicating that some SWCNTs not serving as thermal paths at lower volume fractions start connecting with others. Moreover, the inferred thermal conductivity of individual SWCNTs also enhances with the increase of volume fraction.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Biochemical Research Methods
Moumita Ray, Sanjay D. Mhaske, Santosh K. Haram, Shyamalava Mazumdar
Summary: The covalent linkage between SWCNT and CYP101 provides a novel method for designing efficient enzyme electrodes, enabling electrochemically driven enzymatic mono-oxygenation reactions. The catalytic current of camphor oxidation increases with higher camphor concentrations, producing hydroxy-camphor as the identified product.
ANALYTICAL BIOCHEMISTRY
(2021)
Article
Chemistry, Physical
Sai Shirov Katta, Shailendra Yadav, Abhay Pratap Singh, Boddepalli SanthiBhushan, Anurag Srivastava
Summary: This study investigates a novel CNT-based sensor for detecting highly toxic phosgene gas. The results show that doped CNTs, especially those doped with transition metals, exhibit good sensing behavior, with high sensitivity and short recovery time, making them useful for designing CNT-based physical sensors.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Mahmoud M. Selim, Maged F. Alotaibi, Adel Soltani, Abdel-Baset A. Mohamed, Abdel-Haleem Abdel-Aty
Summary: Understanding the torsional vibration characteristics of Single-Walled Carbon Nanotubes (SWCNTs) is crucial for the reliable design of nanodevices. This study presents a practical and accurate solution for the torsional vibration of irregular SWCNTs with elastic-support boundary conditions. The effects of irregularity and stiffness parameters on the torsional vibration are considered within the framework of Flu center dot gge's model. The results demonstrate the impact of various parameters, such as surface irregularity and nanotube thickness, on the natural frequency of irregular SWCNT.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Chemistry, Analytical
Catalina Bui, Gavin La Flower, Janak Paudyal
Summary: A modification-free, paper electrode based on vacuum-filtered SWCNT thin film was developed for electrochemical detection of BPA. The electrode showed a linear response in the concentration range of 0.5-10 μM and 25-100 μM, with an experimental LOD of 1.0 μM (S/N=3). Interference study and good recovery percentage (93-105%) in real water samples demonstrated the selectivity of the method. The sensor has potential for developing a simple, low-cost, portable, and paper-based BPA monitoring system.
Article
Chemistry, Multidisciplinary
Anca F. Bonciu, Mihaela Filipescu, Stefan I. Voicu, Thomas Lippert, Alexandra Palla-Papavlu
Summary: This study presents NH3 sensors fabricated using LIFT, composed of single-walled carbon nanotubes and tin oxide nanoparticles, which demonstrate excellent detection performance including fast response, low detection limit, and reversibility.
Article
Chemistry, Analytical
Nguyen Duc Chinh, Nguyen Manh Hung, Sutripto Majumder, Chunjoong Kim, Dojin Kim
Summary: Co3O4/single-walled carbon nanotube (Co3O4/SWCNT) hybrid structures were fabricated and showed promising methanol sensing properties. The best sensing performance was observed for the material fabricated by deposition for 15 min and oxidized at 500 degrees C. The hybrid sensor structures also exhibited a low detection limit, good selectivity, repeatability, and long-term stability, indicating their potential for practical applications in methanol sensing.
SENSORS AND ACTUATORS B-CHEMICAL
(2021)
Article
Chemistry, Physical
Y. T. Singh, P. K. Patra, Nguyen N. Hieu, D. P. Rai
Summary: In this study, the electronic and mechanical properties of Boron (B) doped (6,1) SWCNT in zigzag and armchair pattern were investigated using Density Functional Theory (DFT) and ab initio Molecular Dynamics (MD) simulations. The DFT calculations revealed the dependence of the SWCNT's electronic properties on the doping pattern and concentration. Additionally, the mechanical response of the SWCNT tube varied significantly with different dopant concentrations and doping patterns.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Physical
Sina Karimzadeh, Babak Safaei, Tien-Chien Jen
Summary: The study investigated the effects of alcohol consumption on the efficiency of the SWCNT and DOX complex using molecular dynamic simulations. Results showed that in systems containing ethanol molecules, the encapsulation of DOX molecules in SWCNTs was decreased, and VdW interactions were also reduced.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Nanoscience & Nanotechnology
Huan Yin, Luoxi Zhang, Mingkui Zhu, Yue Chen, Tian Tian, Yafei Zhang, Nantao Hu, Zhi Yang, Yanjie Su
Summary: A novel method for improving the performance of SWCNT-based photodetectors through interfacial charge transfer induced by Au nanoparticle surface doping is reported. Experimental results show that AuNP doping can effectively enhance the generation and transport of photogenerated carriers, thereby significantly improving the performance of the photodetector. This study provides a simple route for enhancing the performance of SWCNT-based photodetectors and offers a new method for characterizing the interfacial charge transfer between dopants and SWCNTs.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Analytical
Mohabat Taghizade, Mahmoud Ebrahimi, Ebrahim Fooladi, Mehdi Yoosefian
Summary: A method based on magnetic solid phase extraction was developed for simultaneous spectrophotometric determination of three drugs in plasma, hospital waste, and river water. The method showed good linearity, extraction efficiency, and recovery rates, making it a sensitive and cost-effective approach for multi-drug analysis.
MICROCHEMICAL JOURNAL
(2021)
Article
Chemistry, Physical
Mohamad Mahani, Fatemeh Alimohamadi, Masoud Torkzadeh-Mahani, Zahra Hassani, Faeze Khakbaz, Faten Divsar, Mehdi Yoosefian
Summary: In this study, an ultra-sensitive label-free nanobiosensor was developed for the detection of PSA at low concentrations in urine samples. Computational modeling and molecular dynamics simulations were used to investigate the binding mechanism between antibody and PSA protein, while factors affecting the detection were optimized to achieve a detection limit of 0.2 ng mL(-1) and calibration sensitivity of 0143.75 nm (ng mL(-1)).
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Materials Science, Multidisciplinary
Hamed Sargazi-Avval, Mehdi Yoosefian, Mansour Ghaffari-Moghaddam, Mostafa Khajeh, Mousa Bohlooli
Summary: This study investigated the potential of different chiral boron nitride nanotubes as drug carriers for Letrozole delivery, showing reduced side effects and increased solubility. Quantum mechanical calculations confirmed the adsorption process of Letrozole in various nanotube structures, with chemisorption favored in armchair and chiral nanotubes, and physisorption predominant in the zigzag nanotube.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2021)
Article
Pharmacology & Pharmacy
Mohamad Mahani, Maryam Pourrahmani-Sarbanani, Mehdi Yoosefian, Faten Divsar, Seyedeh Maral Mousavi, Alireza Nomani
Summary: This study developed a nano-carrier based on transferrin-modified carbon quantum dots for the targeted delivery of the anti-breast cancer drug doxorubicin. The nano-carrier showed efficient cytotoxicity and cellular uptake in MCF-7 cells, and the conjugate was found to be more toxic than doxorubicin alone due to its ability to overcome multidrug resistance of cancer cells. Molecular docking studies confirmed the potential of this system as an excellent targeted drug delivery system for breast cancer therapy.
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Physical
Zhongjie Fei, Mehdi Yoosefian
Summary: This study investigates the assembly mechanism of Ribociclib encapsulated by DPC micelle using all-atom molecular dynamics simulations. The main forces involved in the drug encapsulation process are hydrophobic and van der Waals interactions, with hydrogen bonding and electrostatic interactions also contributing. Solvent accessible surface area and radial distribution function analyses show that DPC micelles can improve the aqueous solubility of hydrophobic drugs, providing a new pathway for designing drug delivery systems with necessary properties.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Rongbin Wei, Zhongjie Fei, Mehdi Yoosefian
Summary: Density functional theory studies were conducted to investigate the effect of molecular structures and mechanisms of proton transfer in nitrotriazolone complexes. The results showed a significant decrease in the proton transfer barrier height for dehydrated nitrotriazolone and keto-enol tautomer reactions compared to non-water-assisted processes.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biology
Mehdi Yoosefian, Maryam Zeraati Moghani, Alfredo Juan
Summary: Researchers have discovered a new human immunodeficiency virus (HIV) protease inhibitor called ATV7 through molecular docking and molecular dynamics simulation, which has better antiviral effects and inhibitory ability than the existing drug atazanavir.
COMPUTERS IN BIOLOGY AND MEDICINE
(2022)
Article
Chemistry, Analytical
Mohabat Taghizadeh, Mahmoud Ebrahimi, Ebrahim Fooladi, Mehdi Yoosefian
Summary: A sensitive and straightforward liquid-liquid-liquid microextraction method was developed using magnetic ionic liquids as the extraction phase to preconcentrate and cleanup antidepressants from biological samples. The method showed good calibration curves, proper detection limit, reasonable limit of quantification, wide linear ranges, high preconcentration factors, and suitable relative standard deviation.
JOURNAL OF SEPARATION SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Mehdi Yoosefian, Mitra Fouladi, Leonard Ionut Atanase
Summary: This study investigated the efficiency and loading of a carbon-based nanocarrier for anticancer drug delivery. The selected material demonstrated good stability, and the presence of a surface modifier delayed the adsorption of the drug initially.
Article
Chemistry, Multidisciplinary
Mehdi Yoosefian, Elaheh Ayoubi, Leonard Ionut Atanase
Summary: This study explores the potential possibility of using palladium-doped single-walled carbon nanotubes (Pd/SWCNT-V) as a resource for detecting and adsorbing VOCs. The results demonstrate that Pd/SWCNT-V has efficient adsorption capability for VOCs such as acetonitrile, styrene, and perchloroethylene, making it a promising material for VOC removal from the environment.
Article
Biochemistry & Molecular Biology
Vahideh Najafi, Mehdi Yoosefian, Zahra Hassani
Summary: In this study, new analogs of venetoclax (VNT) were designed to improve the performance of an anticancer drug. Molecular docking and molecular dynamics simulations were performed, and the results showed that the newly designed ligand had better performance in inhibiting BCL-2 protein compared to VNT.
CELL BIOCHEMISTRY AND FUNCTION
(2022)
Article
Materials Science, Biomaterials
Mahdiyeh Hasani, Saeed Ghanbarzadeh, Hossein Hajiabadi, Tohid Mortezazadeh, Mehdi Yoosefian, Hamid Akbari Javar
Summary: Super Paramagnetic Iron Oxide Nanoparticles (SPIONs) have gained significant attention in drug delivery systems due to their high surface-to-volume ratio and content. This study aimed to synthesize four different formulations of magnetic nanoparticles coated with various polymeric layers to find the most suitable polymer for higher drug loading efficiency and capacity. Molecular dynamics simulation and quantum mechanics were used to investigate the interaction mechanism between polysaccharide polymers and Doxorubicin (DOX). The results showed that Fe3O4-beta CD-DOX nanoparticles had a spherical shape and a size of around 15 nm. In vitro release investigation demonstrated sustained release performance for more than 72 hours in an acidic medium. Cytotoxicity assay revealed that Fe3O4-beta CD-DOX nanoparticles exhibited higher toxicity in cancer cells compared to normal cells. Overall, the prepared system showed promise as a drug delivery system for cancer treatment.
INTERNATIONAL JOURNAL OF POLYMERIC MATERIALS AND POLYMERIC BIOMATERIALS
(2022)
Article
Chemistry, Physical
Zahra Ansarinik, Hamzeh Kiyani, Mehdi Yoosefian
Summary: Polymer-based drug delivery systems have great potential for delivering poorly water-soluble anticancer drugs through self-assembled nanocarriers. This study investigated the assembly mechanism of abemaciclib drug encapsulated by PEG-PLA copolymer micelles using molecular dynamics simulations. The results showed that hydrophobic and hydrophilic interactions played a crucial role in the drug encapsulation process, and hydrogen bonding and electrostatic interactions also contributed to the aggregation of PEG-PLA copolymer chains.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Ebrahim Nabatian, Mahdi Mousavi, Mostafa Pournamdari, Mehdi Yoosefian, Saeid Ahmadzadeh
Summary: A simple and precise analytical method has been developed for the determination of resorcinol and hydroquinone in pharmaceutical samples using carbon paste electrode modified with ionic liquid and nanoparticles. The method shows promising potential in pharmaceutical analysis.
Article
Chemistry, Analytical
Naader Alizadeh, Javad Yoosefian
Summary: This study presents a simple method for determining TNT using NaBH4 as a reducing/colorimetric reagent. The method is able to differentiate TNT from other nitroaromatic compounds through time-dependent selectivity. UV-vis spectrophotometry and photothermal lens spectrometry were employed as detection techniques, with the latter providing higher sensitivity.
