Review
Chemistry, Analytical
Jing Wang, Jiaoyue Cong, Jin Wu, Yizhuo Chen, Huiyu Fan, Xiaoli Wang, Zhenghua Duan, Lei Wang
Summary: Nanoplastics in the environment can form protein corona by adsorbing biomolecules onto their surfaces, which greatly impacts their biological fate and toxicity. This article summarizes recent progress in understanding the formation, influencing factors, and characterization methods of nanoplastic-protein corona complexes. The unique physio-chemical characteristics of nanoplastics, such as polymerization morphology and functional group modification, are investigated to differentiate them from other nanomaterials. The influences and mechanisms of protein corona formation on nanoplastic toxicity, including cellular uptake and alteration of protein structure and function, are discussed. Suggestions for further research are also proposed. Overall, this study emphasizes the significant role of protein corona in determining the biological characteristics of nanoplastics in realistic nano-ecotoxicological assessments.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Rehana Parveen, Prasanta Kumar Maiti, Nabendu Murmu, Alokmay Datta
Summary: Research has shown that silver nanoparticles prepared using specific methods have lower toxicity to host cells while effectively killing bacteria, and exhibit greater selectivity. This method significantly reduces damage to host cells and demonstrates a wider range of therapeutic prospects.
SCIENTIFIC REPORTS
(2021)
Article
Biochemistry & Molecular Biology
Suhailah Wasman Qader, Mehmet Ozdemir, Innocent Benjamin, Chioma M. Chima, A. Suvitha, Jaquline Chinna Rani, Terkumbur E. Gber, Gugan Kothandan
Summary: The study aimed to determine the minimally toxic dose of Polygonum minus (PM) for pharmaceutical use. The stability and reactivity of the compounds were explained by combining the lowest unoccupied molecular orbital (LUMO), the highest occupied molecular orbital (HOMO), and the natural bond orbital. The cytotoxicity of PM extracts on the Hs888Lu cell line and the hematological, hepatic, and renal functions in Sprague Dawley rats were examined. The absorption, distribution, metabolism, excretion, and toxicity (ADMET) of the isolated chemicals from PM were investigated using SwissADME and ADMET, and molecular docking was performed to examine their inhibitory effects.
APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Sanda Nastasia Moldovean, Diana-Gabriela Timaru, Vasile Chis
Summary: The D2 dopamine receptor plays a crucial role in modulating dopamine release and radiopharmaceutical ligands are used to quantify dopaminergic pathways in the living human brain. This study used molecular dynamics simulations and QM calculations to investigate the interaction mechanisms and binding affinities between three synthetic compounds and the D2 receptor.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Food Science & Technology
Qun Zhang, Wei Fan, Yan Shi, Zongcai Tu, Yueming Hu, Jing Zhang
Summary: This study investigated the interaction between whey protein isolate/soy protein isolate and sucrose esters during spray drying microencapsulation. The results showed that sucrose esters induced conformational changes in the proteins and formed protein-sucrose ester complexes. Increasing the sucrose ester ratio decreased the particle sizes of the complexes. Molecular docking simulations revealed hydrogen bonds, salt bridges, and hydrophobic interactions between the proteins and sucrose esters.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2023)
Review
Pharmacology & Pharmacy
Hwankyu Lee
Summary: Molecular dynamics simulations have revealed the impact of protein corona on nanoparticles, showing the competitive adsorption and desorption mechanism of proteins on nanoparticle surfaces, as well as the interactions between protein-coated nanoparticles and cell membranes. These simulations provide insights into the Vroman effect and offer predictions consistent with experimental observations on a molecular scale.
Article
Chemistry, Applied
Fuqiang Liang, Yumeng Shi, Jiayi Shi, WeiWei Cao
Summary: This study investigated the interaction between apigenin and pumpkin seed protein (PSP) using multi-spectroscopic analysis and molecular simulation approaches. The results showed that apigenin interacted with PSP through hydrophobic interactions. Molecular docking and molecular dynamics simulations revealed that apigenin maintained binding stability in the hydrophobic pockets of the protein. The interaction induced changes in the protein's structure and conformation. This study provides theoretical evidence for the potential application of PSP and apigenin complex products in the food industry.
FOOD HYDROCOLLOIDS
(2023)
Article
Biochemistry & Molecular Biology
Mohd Sajid Ali, Mohd Waseem, Naidu Subbarao, Abdullah Nasser Alahamed, Hamad A. Al-Lohedan
Summary: The interaction between lysozyme and cefoperazone was studied using spectroscopic and computational approaches. The UV-visible spectrum showed a change in lysozyme in the presence of cefoperazone, indicating complex formation. Fluorescence spectroscopy suggested a fair interaction via dynamic quenching, with a binding ratio of approximately 1:1. In silico studies revealed that hydrophobic forces played a major role in the interaction, with some involvement of hydrogen bonding and electrostatic interactions.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Review
Biochemistry & Molecular Biology
Yanni Yu, Yaning Luan, Wei Dai
Summary: This review summarizes the recent research on the dynamic process and mechanisms of protein corona formation, which occurs when nanoparticles interact with proteins. The formation of protein corona is a homeostasis process where proteins compete for limited surface sites on nanoparticles. The review also discusses the factors that affect formation and techniques commonly used for protein corona analysis. Furthermore, it assesses the limitations and challenges in protein corona studies and proposes future perspectives.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Review
Biotechnology & Applied Microbiology
Gaurav Chugh, Braj Raj Singh, Alok Adholeya, Colin J. Barrow
Summary: This study critically evaluates the role of proteins in the biosynthesis of metallic nanoparticles, with a focus on the interaction of proteins with nanoparticles and their potential toxic effects on cells.
CRITICAL REVIEWS IN BIOTECHNOLOGY
(2022)
Review
Environmental Sciences
Mengchen Tu, Xin Zheng, Peiyuan Liu, Shuping Wang, Zhenguang Yan, Qianhang Sun, Xinyu Liu
Summary: The interaction between organic pollutants and proteins is crucial in understanding the distribution, metabolism, and toxicity mechanisms of compounds in organisms. Binding of organic pollutants to specific target proteins can lead to a series of endocrine disrupting and genotoxic effects. Experimental techniques such as UV-vis, fluorescence, infrared spectrometry, CD, molecular docking, and X-ray crystallography are commonly used to study pollutant-protein interactions.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Biochemistry & Molecular Biology
Daniel Pushparaju Yeggoni, Shreya Dubey, Yusuf Zamal Mohammad, Aparna Rachamallu, Rajagopal Subramanyam
Summary: The study investigated the interaction between the phytochemical stigmasterol and human serum albumin under physiological conditions, revealing anti-inflammatory and anti-cancer properties of stigmasterol. Stigmasterol bound to a specific subdomain of HSA, altering the protein's secondary structure. Molecular docking and dynamic simulation further supported the binding mechanism between HSA and stigmasterol.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Food Science & Technology
Jia Xu, Yi Huang, Yang Wei, Xinchu Weng, Xinlin Wei
Summary: The interaction mechanism between whey proteins and theaflavin (TF1) in black tea was analyzed. TF1 showed static quenching mechanism with bovine serum albumin (BSA), beta-lactoglobulin (beta-Lg), and alpha-lactoalbumin (alpha-La), as revealed by fluorescence and ultraviolet-visible absorption spectroscopy. TF1 also altered the secondary structure of these proteins, as observed in circular dichroism experiments. Molecular docking simulations indicated that hydrogen bonding and hydrophobic interaction played dominant roles in the interaction between TF1 and BSA/beta-Lg/alpha-La, with binding energies of -10.1 kcal mol(-1), -8.4 kcal mol(-1), and -10.4 kcal mol(-1), respectively.
Article
Chemistry, Physical
Tingting Guo, Xiaojuan Wang, Yang Shu, Jianhua Wang
Summary: This study evaluated the behavior of 1-alkyl-3-methylimidazolium dicyanamide ionic liquids with different alkyl side-chain lengths, showing that longer alkyl side-chains increased toxicity. The findings provide insight into the potential hazards of ILs and their interactions with proteins and cells.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Jing Wang, Xinping Yu, Xiaolin Zheng
Summary: This study investigates the effects of doping quantum dots (QDs) with an extra element on their interaction with protein molecules. Results suggest that Zn-doped QDs show improved fluorescence quantum yield, stability, and molecular biocompatibility compared to undoped QDs, while also having a lesser stimulating impact on the activity of the protein model TRY.
CHEMICO-BIOLOGICAL INTERACTIONS
(2022)
Article
Biochemical Research Methods
Aaydha C. Vinayaka, Mohsen Golabi, Thi Linh Quyen Than, Anders Wolff, Dang D. Bang
Summary: Invasive non-typhoidal salmonellosis is gaining attention as an emerging disease cluster, particularly among immunocompromised and malnourished children. Point-of-care diagnostics hold promise for use in low infrastructure laboratory settings, but face challenges in dealing with the complexity of blood matrices.
Article
Chemistry, Analytical
Gloria. Ebube. Uwaya, Yangping Wen, Krishna. Bisetty
Summary: This study presents a sensor based on nickel oxide nanoparticles and polyaniline that shows good sensitivity and selectivity for the detection of epinephrine. The sensor has been experimentally investigated and theoretically modeled, and its performance has been evaluated in different solutions. Monte Carlo and molecular dynamics simulations were used to assess the binding affinity between the sensor and epinephrine. Density functional theory calculations confirmed the chemical reactivity and stability of the sensor with epinephrine.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2022)
Article
Green & Sustainable Science & Technology
B. K. Nahak, S. Preetam, Deepa Sharma, S. K. Shukla, Mikael Syvajarvi, Dana-Cristina Toncu, Ashutosh Tiwari
Summary: This review article discusses the use of lignocellulosic biomass as a sustainable source of energy in solid, liquid, and gas forms. The effects of physical, chemical, and biological treatments on biomass and the properties of derived energy generations are compared to commercially used fuels.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2022)
Article
Chemistry, Physical
Khethiwe Mthiyane, Gloria Ebube Uwaya, Maryam Amra Jordaan, Suvardhan Kanchi, Krishna Bisetty
Summary: A new hybrid sensor was developed using titanium oxide nanoparticles and nafion as an anchor agent on a glassy carbon electrode for efavirenz detection. The sensor demonstrated good selectivity and practicality, with excellent recovery rates for the drug.
Article
Chemistry, Analytical
Xinyu Lu, Peng Liu, Krishna Bisetty, Yue Cai, Xuemin Duan, Yangping Wen, Yifu Zhu, Liangmei Rao, Quan Xu, Jingkun Xu
Summary: This study introduces an emerging machine learning strategy for electrochemical sensors and supercapacitors using C-ZIF-67, exhibiting excellent performance in the analysis of NA.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Kwanele Kunene, Syreina Sayegh, Matthieu Weber, Myalowenkosi Sabela, Damien Voiry, Igor Iatsunskyi, Emerson Coy, Suvardhan Kanchi, Krishna Bisetty, Mikhael Bechelany
Summary: This study presents a method for fabricating an electrochemical immunosensor for aflatoxin detection. The sensor showed good analytical performance with a large linear range, low detection limit, and long-term stability. It was successfully applied to detect aflatoxin in wine samples.
Article
Thermodynamics
R. Roshan, B. K. Nahak, D. Mahata, P. Yadav, S. Panda, Santanu Patra, S. S. Mahato, Ashutosh Tiwari, S. Mahata
Summary: In this study, surface functionalized cadmium sulfide nanoparticles were used as a photocatalyst for efficient demineralization of methylene violet and rhodamine B to produce hydrogen. The influence of sulfur vacancy on photocatalytic hydrogen production was systematically investigated, and it was found that sulfur vacancies on the surface of cadmium sulfide quantum dots could improve charge separation and catalytic performance.
ENERGY CONVERSION AND MANAGEMENT
(2023)
Article
Chemistry, Analytical
Lyndon Naidoo, Gloria Ebube Uwaya, Florian Meier, Krishna Bisetty
Summary: This study investigates the impact of PEGylated Fe3O4 nanoparticles intercalated with carboxylic acid-functionalized multi-walled carbon nanotubes on the design of an electrochemical sensor for zearalenone (ZEN) analysis. The nanocomposite-enhanced electrode exhibits a strong cathodic redox response of ZEN and provides significantly low limits of detection and quantification. Spike recoveries for real samples of rice and corn flour are excellent. The incorporation of the nanocomposite-enhanced electrode shows potential in preventing ZEN mycotoxin exposure.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Gloria. Ebube Uwaya, Krishna Bisetty
Summary: This study presents an electrochemical sensor for the detection of epicatechin (EC) in food samples, which utilizes cobalt oxide (Co3O4) synthesized from Carica papaya peel extract combined with multiwalled carbon nanotubes (MWCNTs). The sensor exhibited excellent electron transport properties and electrocatalytic activity towards EC, with a lower resistance value than that of the bare electrode. The designed sensor demonstrated good repeatability, stability, reproducibility, selectivity, and excellent recoveries for the detection of EC in food samples. Furthermore, the study also analyzed the energy band gap, absolute hardness, and adsorption energy of the sensor, providing insights into its chemical reactivity and potential applications in the food industry.
Article
Chemistry, Analytical
Gloria Ebube Uwaya, Krishna Bisetty
Summary: This study introduces an innovative sensing platform designed for the detection of sunset yellow (SY), which showed enhanced electrochemical sensing behaviour for SY oxidation. The platform employs a composite electrode material comprising of a zeolitic imidazole framework (ZIF-67) and multiwalled carbon nanotubes (MWCNTs) on a glassy carbon electrode (GCE). The experimental results demonstrate high precision and reliability.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Gloria Ebube Uwaya, Lyndon Naidoo, Krishna Bisetty
Summary: This research study focuses on the interaction between efavirenz (EFV) and TiO2 NPs using complementary analytical techniques. The results indicate that EFV is encapsulated around TiO2 NPs, as evidenced by increased UV absorbance and a larger mean radius of the EFV-TiO2 complex. Additionally, EIS measurements reveal reduced impedance in the complex, suggesting polarization due to increased ion presence. Understanding the physiochemical behavior of EFV and TiO2 NPs in aqueous medium is crucial for research on the physiological interactions of drugs with nanoparticles.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Analytical
Gloria Ebube Uwaya, Salvador Sagrado, Krishna Bisetty
Summary: A novel sensor using Au nanoparticles derived from Callistemon viminalis leaf extract and multiwalled carbon nanotubes doped onto glassy carbon electrode was developed for detecting xylitol in sugar free chewing gum. The sensor showed significantly enhanced electrochemical response to xylitol and achieved a low detection limit. Machine learning and molecular dynamics simulations were used to study the electrochemical reaction and interaction of xylitol on the electrode surfaces. This study demonstrates a new strategy for rapid detection of xylitol.
Review
Nanoscience & Nanotechnology
Bishal Kumar Nahak, Anshuman Mishra, Subham Preetam, Ashutosh Tiwari
Summary: The organ-on-a-chip (OoC) technology provides an accurate pathway for biomedical applications from preclinical to clinical translational precision. It accurately represents human physiology in vitro and allows noninvasive real-time monitoring and treatment. The technology combines emerging approaches such as advanced materials, artificial intelligence, machine learning, three-dimensional bioprinting, and genomics, and has broad application prospects.
ACS APPLIED BIO MATERIALS
(2022)
Review
Nanoscience & Nanotechnology
Sudheesh K. Shukla, Santanu Patra, Trupti R. Das, Dharmesh Kumar, Anshuman Mishra, Ashutosh Tiwari
Summary: The rapid spread of COVID-19 has posed a major threat to public health globally. The lack of effective medication and widely accepted immunization is a challenge, and there is a need for rapid and accurate diagnostic approaches. Current research suggests that the use of candidate biomarkers and sensor technology can provide effective diagnosis services.
Review
Materials Science, Multidisciplinary
Varshika Singh, Santanu Patra, Natarajan Arul Murugan, Dana-Cristina Toncu, Ashutosh Tiwari
Summary: The paradigm of advanced materials has experienced exponential growth, encompassing new dimensions such as digital design, dynamics, and functions. Research in materials modeling and computational techniques have provided valuable predictions for designing novel materials with improved properties, leading to significant advancements in new-age devices.
MATERIALS ADVANCES
(2022)