Article
Biochemistry & Molecular Biology
Benjamin Tam, Siddharth Sinha, Zixin Qin, San Ming Wang
Summary: The TP53 gene plays a critical role in maintaining genome stability, but many of its variants remain unclassified due to lack of evidence. This study investigated the deleteriousness of missense variants in TP53 using a novel method, showing higher specificity in classification compared to other in silico methods.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Environmental Sciences
Diana A. Stavreva, Michael Collins, Andrew McGowan, Lyuba Varticovski, Razi Raziuddin, David Owen Brody, Jerry Zhao, Johnna Lee, Riley Kuehn, Elisabeth Dehareng, Nicholas Mazza, Gianluca Pegoraro, Gordon L. Hager
Summary: Research has shown that water samples from two major rivers in Virginia contain a variety of contaminants, with over 70% of sites showing androgen receptor activity and 60% showing aryl hydrocarbon receptor activity. These activities may have negative impacts on river ecosystems and human health.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Biochemistry & Molecular Biology
Maolin Li, Xin Zhang, Dandan Han, Songgu Wu, Junbo Gong
Summary: This study systematically investigated the complexation mechanism of lysozyme (LYS) and hyaluronan (HA) using multi-spectroscopy and molecular dynamics simulation. The results showed that the electrostatic interaction is the main driving force for LYS-HA complex formation. The study also demonstrated that LYS-HA complexes have excellent biocompatibility and potential applications in drug delivery and emulsion stabilization in the food industry.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Environmental Sciences
Eepsita Priyadarshini, Ajith Manayil Parambil, Paulraj Rajamani, Vinoth Kumar Ponnusamy, Yi-Hsun Chen
Summary: Endocrine-disrupting compounds (EDC) are exogenous chemicals that mimic hormones and interfere with hormonal signaling, leading to adverse health effects. This review examines the scientific literature from 1990 to 2023, discussing EDC exposure, molecular mechanisms, and toxicological effects on biological systems. The need for alternative techniques to identify and estimate EDC is emphasized, with a focus on in vitro detection methods and the potential of designing nano-architectonic-sensor substrates for on-site detection in contaminated aqueous environments.
ENVIRONMENTAL RESEARCH
(2023)
Article
Chemistry, Physical
Zahra Asemi-Esfahani, Behzad Shareghi, Sadegh Farhadian, Lida Momeni
Summary: In this study, the interaction mechanisms of QY with lysozyme were investigated using multispectral and molecular docking methods. Experimental results showed that QY binds to lysozyme through a static quenching procedure, leading to a reduction in enzyme activity. The precise binding location of QY within the lysozyme enzyme structure was confirmed through molecular docking.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Review
Environmental Sciences
Justyna Plotka-Wasylka, Ewa Mulkiewicz, Hanna Lis, Klaudia Godlewska, Aleksandra Kurowska-Susdorf, Muhammad Sajid, Dimitra Lambropoulou, Natalia Jatkowska
Summary: Globally, there is growing awareness of the adverse effects of endocrine disrupting compounds (EDCs) on human health. Infants are more vulnerable to EDCs and there has been considerable attention on the association between prenatal exposure and growth in infants and children. This review provides an update on the evidence from biomonitoring studies on infant exposure to EDCs and discusses analytical methods and concentration levels of EDCs in various biological matrices. Recommendations are also provided to avoid hazardous exposure to EDCs.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Biotechnology & Applied Microbiology
P. Budeli, J. O. Unoufin, Resoketswe Charlotte Moropeng, M. N. B. Momba
Summary: This study developed an inexpensive bacterial laccase-based biocatalyst for the degradation of estrogens. The biocatalyst showed higher resistance to environmental perturbations, enhanced storage ability, and reusability compared to free laccase. Immobilized enzymes achieved significant estrogen removal within a short period of time.
FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY
(2022)
Review
Biochemistry & Molecular Biology
Kristin Fritsche, Andrea Zikova-Kloas, Philip Marx-Stoelting, Albert Braeuning
Summary: The liver plays a crucial role in metabolism and its dysregulation can lead to various metabolic diseases. This review discusses the impact of environmental chemicals known as metabolism-disrupting chemicals (MDCs) on metabolic diseases, such as liver steatosis and cholestasis, and explores the molecular mechanisms involved. It also highlights the need for standardized mechanistic assays to identify and characterize MDCs and discusses potential testing strategies.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Mohd Sajid Ali, Hamad A. Al-Lohedan
Summary: The non-covalent molecular interaction between lysozyme and two important non-steroidal anti-inflammatory drugs (paracetamol and ibuprofen) was studied using fluorescence, UV-visible, circular dichroism spectroscopies, and molecular docking simulations. The results showed that both drugs had a good interaction with lysozyme, with ibuprofen having a slightly stronger interaction than paracetamol. The binding of the drugs with lysozyme involved hydrophobic forces and hydrogen bonding in the case of paracetamol, while hydrophobic interactions dominated in the lysozyme-ibuprofen interaction. Both drugs induced changes in the secondary structure of lysozyme, increasing its alpha-helicity. The results obtained from molecular docking simulations were in excellent agreement with the experimental studies.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Environmental Sciences
Hanisah Mohmad Nasir, Sze Yee Wee, Ahmad Zaharin Aris, Luqman Chuah Abdullah, Ismayadi Ismail
Summary: Persistent endocrine-disrupting compounds (EDCs) in bodies of water pose a concern for human health and the environment. Traditional treatment systems fail to completely remove EDCs. Developing new approaches and techniques to remove these micropollutants is crucial. This review discusses common methods to eliminate EDCs, with a focus on the adsorption process as an economical and straightforward option.
Article
Environmental Sciences
Louisa Harding, Irvin R. Schultz, Graham Young, Penny Swanson
Summary: This study optimized the in vitro culture conditions of pituitary cells from previtellogenic female coho salmon and rainbow trout, and investigated the response of follicle-stimulating hormone (Fsh) and luteinizing hormone (Lh) gene expression to various chemicals. The results showed that the presence or absence of endogenous sex steroids and gonadotropin-releasing hormone had significant effects on gene expression. This study demonstrates the usefulness of pituitary cell culture in screening chemicals with potential endocrine-disrupting activity and developing quantitative adverse outcome pathways in fish.
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
(2023)
Article
Spectroscopy
Narges Ashrafi, Behzad Shareghi, Sadegh Farhadian, Mansoore Hosseini-Koupaei
Summary: The present study investigates the interaction of naringenin with lysozyme in an aqueous medium using steady-state fluorescence, UV-Vis spectrophotometry, molecular docking studies, and circular dichroism (CD). The results show that naringenin can induce changes in the secondary and tertiary structure of lysozyme, switch from static quenching mechanism to intrinsic fluorescence, and the complex stability is determined by hydrophobic forces.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Physical
Zahra Asemi-Esfahani, Behzad Shareghi, Sadegh Farhadian, Lida Momeni
Summary: The study investigated the binding reaction between Naphthol Yellow S and lysozyme using spectroscopic methods, revealing static quenching as the main quenching process. Thermodynamic and binding parameters were determined from fluorescence information, with kinetic analyses showing a cessation of lysozyme activity at 0.21 mM of the ligand. Molecular docking analysis identified the exact binding position of NYS in lysozyme, highlighting the importance of hydrogen-bonding and van der Waals contributions. Molecular dynamics simulation assessed the stability of the lysozyme-NYS complex, with potential applications in various industries and sciences.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Review
Microbiology
Agnieszka Galazka, Urszula Jankiewicz
Summary: Environmental pollution with organic substances is a major global issue, with particular concern about endocrine disrupting compounds (EDCs) that can harm aquatic species. Alkylphenols, commonly used in households, are a significant source of EDCs in water reservoirs and new methods are being sought for their removal. Bioremediation, using enzymes like laccase from white rot fungi, shows great potential for detoxification and degradation of pollutants in natural and industrial waste.
Article
Polymer Science
Cristian Privat, Sergio Madurga, Francesc Mas, Jaime Rubio-Martinez
Summary: This study discusses the importance of solvent pH in molecular dynamics simulations and introduces the application of Constant pH Molecular Dynamics method. By simulating six amino acids, the conformational sampling, and energy distribution results of different methods are compared, revealing both the strengths and weaknesses of the CPHMD method in changing protonation states.
Article
Engineering, Electrical & Electronic
Saptarshi Mukherjee, Tammy Chang, Nicholas N. Watkins, David M. Stobbe
Summary: This letter introduces a physics-based inversion technique for reliable characterization of droplets deposited by a liquid metal jetting additive manufacturing system. The experimental results demonstrate that this method can effectively monitor the size of droplets and the distance between droplets and the diagnostic tool.
IEEE ANTENNAS AND WIRELESS PROPAGATION LETTERS
(2022)
Article
Engineering, Electrical & Electronic
Saptarshi Mukherjee, Karen Dowling, Yicong Dong, Kexin Li, Adam Conway, Shaloo Rakheja, Lars Voss
Summary: With the advancement of optoelectronic device technology, a Prony-based curve-fitting method has been proposed to characterize RF pulse measurements from these devices. The method shows high accuracy in measurement data and is capable of extracting key pulse parameters, providing insights into the physics of optoelectronic devices.
IEEE SIGNAL PROCESSING LETTERS
(2022)
Article
Engineering, Electrical & Electronic
Karen Dowling, Yicong Dong, David Hall, Saptarshi Mukherjee, Joseph D. Schneider, Stefan Hau-Riege, Sara E. Harrison, Laura Leos, Adam Conway, Shaloo Rakheja, Lars Voss
Summary: This work presents a new optoelectronic device that has the potential to be used as a high-frequency, high-power RF source or amplifier. By introducing optical illumination into a small gap in the signal trace of a gallium-arsenide coplanar waveguide, a confined charge cloud is generated. The phenomenon of negative differential mobility is utilized to achieve pulse compression, resulting in a temporally compressed output electrical pulse compared to the input optical pulse. Experimental results demonstrate a 66% reduction in the full-width at half-maximum of the electrical pulse, relative to the input optical pulse. This novel coupled optoelectronic device opens up possibilities for high-frequency, high-power, compact devices that could enhance satellite communication systems.
IEEE TRANSACTIONS ON ELECTRON DEVICES
(2022)
Article
Chemistry, Physical
Kalyanmoy Jana, Ushasi Pramanik, Kapil S. Ingle, Ribhu Maity, Saptarshi Mukherjee, Susanta K. Nayak, Subhas Chandra Debnath, Tithi Maity, Swapan Maity, Bidhan Chandra Samanta
Summary: In this study, monomeric copper(II) complex (1) and polymeric copper(II) complex (2) were synthesized using NNN and NNO tridentate Schiff base ligands and characterized by various analytical techniques. Complex 2 exhibited higher efficiency in photodegradation of Methylene Blue and strong interaction with Bovine Serum Albumin (BSA). Additionally, cell viability studies showed that the complexes could potentially be used as biomaterial transplants.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Shashi Shekhar, Paritosh Mahato, Rahul Yadav, Sachin Dev Verma, Saptarshi Mukherjee
Summary: This study reports ascorbic acid-templated blue-emitting copper nanoclusters (CuNCs) with excellent thermoresponsive properties. When mixed with red-emitting silver nanoclusters (AgNCs) templated by bovine serum albumin (BSA), the CuNCs can generate white light emission (WLE) that closely resembles pure white light. Cell viability data and confocal laser scanning microscopy images of HeLa cells confirm the nontoxic and biocompatible nature of these CuNCs.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Tapasi Chand, Laxmikanta Khamari, Deepak Chopra, Saptarshi Mukherjee, Manmohan Kapur
Summary: A one-step Rh-catalyzed method for site-selective ortho-C-H alkynylation of perylene, mono- and diimides of naphthalene is reported. This method not only increases the efficiency of ortho-functionalization of dyes but also provides a quick access route to highly functionalized dyes with potential optoelectronic applications.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Physical
Ushasi Pramanik, Laxmikanta Khamari, Saurabh Rai, Paritosh Mahato, Atanu Nandy, Rahul Yadav, Sameeksha Agrawal, Saptarshi Mukherjee
Summary: This study reveals the inhibition of alcohol-induced aggregation of Trypsin by macrocyclic cavitand, beta-cyclodextrin (beta-CD). The interaction between beta-CD and native protein inhibits fibril formation, reduces functional activity, and reduces the risk of pancreatitis and pancreatic cancer.
Article
Chemistry, Physical
Srikrishna Pramanik, Paritosh Mahato, Ushasi Pramanik, Atanu Nandy, Laxmikanta Khamari, Shivam Shrivastava, Saurabh Rai, Saptarshi Mukherjee
Summary: This study presents an integrative approach combining spectroscopic and computational studies to investigate the fluorescence properties of the fluorescent molecular rotor AuO after interacting with DNA. It is found that DNA acts as a scaffold for the formation of AuO dimers, and the photophysical properties of AuO depend on the nucleotide compositions. By analyzing the fluorescence spectra of AuO, the most stable single nucleotide mismatch in a DNA sequence can be identified, which is significant for the development of analogues targeting mismatched DNA sequences.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Organic
Nandkishor Prakash Khot, Paritosh Mahato, T. K. Sajeev, Saptarshi Mukherjee, Manmohan Kapur
Summary: This study presents a sustainable approach for the regioselective C(7)-H alkylation of 8-aminoquinolines using Rh(III) catalysis. The reaction exhibits high functional group tolerance and site selectivity, leading to the synthesis of pi-extended angular pyrroloquinolines with white light emission. The compounds also demonstrate excellent cell viability and in vivo cellular imaging, confirming their non-toxic nature.
Article
Chemistry, Analytical
Xiaodong Shi, Jiaoyang Li, Saptarshi Mukherjee, Srijan Datta, Vivek Rathod, Xinyu Wang, Wei Lu, Lalita Udpa, Yiming Deng
Summary: This article proposes a method for in situ, non-destructive root phenotyping using ultra-wideband microwave scanning. Through simulation and experiments, the method has been proven capable of accurately measuring and imaging the size and number of roots.
Article
Nanoscience & Nanotechnology
Paritosh Mahato, Shashi Shekhar, Sameeksha Agrawal, Srikrishna Pramanik, Saptarshi Mukherjee
Summary: Aggregation-induced emission (AIE) is an emerging strategy to tune the optical properties of luminescent metal nanoclusters (MNCs). Our investigation reveals the remarkable tuning of the photophysical properties of weakly luminescent silver nanoclusters (AgNCs) through AIE induced by Zn2+ ions. The Zn2+-induced rigid assembly accounts for the unusual optical signatures observed.
ACS APPLIED NANO MATERIALS
(2022)
Article
Computer Science, Artificial Intelligence
Aniruddha Gaikwad, Tammy Chang, Brian Giera, Nicholas Watkins, Saptarshi Mukherjee, Andrew Pascall, David Stobbe, Prahalada Rao
Summary: This study utilizes time series data acquired from a millimeter-wave sensor to predict and monitor the size, velocity, and shape characteristics of droplets in DoD-LMJ process, providing a real-time sensing approach for quality monitoring.
JOURNAL OF INTELLIGENT MANUFACTURING
(2022)
