Article
Chemistry, Applied
Huan Dong, Yitao Li, Caihua Jia, Binjia Zhang, Meng Niu, Siming Zhao, Yan Xu
Summary: The positive role of dextran (DX) produced by lactic acid bacteria in improving the rheological properties of fava bean protein has been confirmed. The higher molecular weight DX has a more obvious impact on improving the rheological properties and water-binding capacity of fava bean protein isolate (FPI). Hydrophobic force is the main interacting force between FPI and DX. The presence of DX forms a network structure and increases the particle size and surface hydrophobicity of FPI.
FOOD HYDROCOLLOIDS
(2022)
Article
Biochemistry & Molecular Biology
Liliane O. Ortlieb, Icaro P. Caruso, Nathane C. Mebus-Antunes, Andrea T. Da Poian, Elaine da C. Petronilho, Jose Daniel Figueroa-Villar, Claudia J. Nascimento, Fabio C. L. Almeida
Summary: A study synthesised and screened 18 aromatic derivatives of guanylhydrazones and oximes aromatic for their ability to bind to dengue virus capsid protein. Results showed that five compounds were able to bind to a specific region of the capsid protein, inhibiting the virus infectivity.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2022)
Article
Engineering, Geological
C. di Prisco, I. Redaelli, M. Zerbi
Summary: Rockfall, a common natural hazard in mountain regions, is difficult to simulate numerically due to the complex interaction between rock blocks and soil strata. In this study, a dynamic upscaled visco-plastic rheological model (BIMPAM) was validated using numerical analyses based on experimental data. The results highlighted the importance of impacting velocity inclination on the dynamic interaction and provided a detailed micromechanical description.
ROCK MECHANICS AND ROCK ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Kiran Devi Tulsiyan, Subhrakant Jena, Maria Gonzalez-Viegas, Rajiv K. Kar, Himansu S. Biswal
Summary: Recent advancements in biological chemistry have identified amino acid-based ionic liquids as suitable preservation media for RNA, showing their ability to maintain structural stability and avoid degradation. Through various spectroscopic techniques and molecular dynamics studies, a protective mechanism of ILs on RNA structure has been determined.
ACS CENTRAL SCIENCE
(2021)
Article
Chemistry, Physical
Mandeep Kaur, Mily Bhattacharya, Banibrata Maity
Summary: Bile salts are important natural amphiphilic biosurfactants synthesized in the liver, which play a vital role in the solubilization and digestion of lipids and cholesterol in the body. This study investigates the interaction and binding between the most abundant plasma protein, human serum albumin (HSA), and bile salts, revealing the role of hydrophobic, electrostatic, and hydrogen bonding effects. The results provide insights into the molecular mechanism of conformational changes induced by bile salts and have implications for the design of protein-bile salt-based drug carriers.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Spectroscopy
Selmihan Sahin, Furkan Calapoglu, Sercan Ozbek Yazici, Ismail Ozmen
Summary: This study investigated the binding interactions between two antiemetic drugs and Trypsin using various spectroscopy techniques and molecular modeling methods. The results showed that both drugs quenched the intrinsic fluorescence of Tsn and affected the enzyme's structure and catalytic activity. The findings provide valuable information for pharmacokinetics and pharmacodynamics research.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Biochemistry & Molecular Biology
Tanveer A. Wani, Mohammed M. Alanazi, Nawaf A. Alsaif, Ahmed H. Bakheit, Seema Zargar, Ommalhasan Mohammed Alsalami, Azmat Ali Khan
Summary: This study investigates the interaction between erlotinib and bovine serum albumin (BSA) in the presence of quercetin. The results suggest competition between quercetin and erlotinib for binding to BSA, leading to changes in plasma concentrations. The binding site for erlotinib on BSA is determined to be Site I based on site marker studies. Molecular dynamic simulation studies confirm the stability of the BSA-erlotinib system at Site I and Site III. This analysis is important for evaluating the impact of quercetin-containing foods and supplements during erlotinib treatment, and provides a cost-effective approach for investigating ligand-protein interactions before clinical studies.
Article
Spectroscopy
Xiaojuan Wang, Zhixiong Zhang, Zhenzhen Liu, Xiqi Ma, Qi Dai, Xiaoqiang Wang, Baosheng Ge, Hua He, Fang Huang
Summary: This study systematically investigated the interactions between ultrasmall graphene quantum dots (GQDs) and biomacromolecules using carbonic anhydrase (CA) as a model protein. The results showed that GQDs could quench the intrinsic fluorescence of CA in a static binding mode driven by van der Waal interactions and hydrogen bonding. Additionally, the binding of GQDs induced slight conformational changes of CA and resulted in the reduction of its biological functions.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Agriculture, Multidisciplinary
Arash Koocheki, Mohammad Ali Hesarinejad, M. R. Mozafari
Summary: The effects of NaCl and CaCl2 on the rheological properties of Lepidium perfoliatum seed gum (LPSG) were investigated. The results showed that LPSG is an arabinoxylan-type polysaccharide with small amounts of uronic acids. The presence of salts increased the viscosity and stiffness of the gum solutions. The intrinsic viscosity of LPSG decreased with increasing salts concentrations, especially with calcium ions.
CHEMICAL AND BIOLOGICAL TECHNOLOGIES IN AGRICULTURE
(2022)
Article
Computer Science, Information Systems
P. Anju, B. Aryanandiny, S. K. Amizhtan, Ramesh L. Gardas, R. Sarathi
Summary: This study investigates the electrical and rheological behavior of synthetic ester fluid incorporated with different concentrations of aluminum nitride (AlN) nanoparticles. Results showed that the addition of AlN nanoparticles increases the discharge resistance and pulse magnitude, as well as the number of discharges. The dielectric constant and tan 8 values show a slight increase with filler inclusion. Streaming current magnitude increases with nanoparticle concentration. Fluorescence spectroscopy analysis indicates an increase in fluorophores intensity with filler dispersion. The rheological properties of nanofluids exhibit Newtonian flow pattern and the viscosity decreases exponentially with temperature following the Arrhenius law. The complex modulus of AlN nanofluids shows viscous behavior, with the loss modulus G'' much larger than the storage modulus G', as the frequency increases.
Article
Biochemistry & Molecular Biology
Janmejaya Rout, Bikash Chandra Swain, Suchismita Subadini, Padmaja Prasad Mishra, Harekrushna Sahoo, Umakanta Tripathy
Summary: This study investigates the binding interaction between vitamin B12 and myoglobin using various spectroscopic and computational methods. Vitamin B12 quenches the intrinsic fluorescence of myoglobin in a static manner. Molecular docking reveals the possible binding of vitamin B12 on myoglobin, and molecular dynamics simulation studies the stability of the interaction.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Chemistry, Applied
Chao Xue, Juan You, Huimin Zhang, Liyuan Zhao, Shanbai Xiong, Tao Yin, Qilin Huang
Summary: This study combines fluorescence spectroscopy with molecular dynamics simulation to reveal the interaction mechanism between silver carp myofibrillar protein and key off-odors. The results show that the interaction is spontaneous and mainly driven by hydrophobic interactions. Nonanal has the highest binding energy with myosin and can change its conformation through physical and chemical interactions. The binding energy between off-odors and myosin is higher at oral temperature.
Article
Biochemistry & Molecular Biology
Dan-Hong Li, Sam Wilson, Giulia Mastroianni, Alexander V. Ruban
Summary: The major light-harvesting antenna complex (LHCII) in plants plays vital roles in both light harvesting and photoprotection in photosystem II. The thylakoid membrane itself can switch LHCII into the photoprotective state, qE, through a process called hydrophobic mismatch. The acyl chain length (ACL) of lipids regulates the chlorophyll fluorescence lifetime of LHCII, and a decrease in ACL results in quenched conformations of LHCII.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
(2023)
Article
Chemistry, Physical
Tanveer A. Wani, Ahmed H. Bakheit, Abdulrahman A. Al-Majed, Nojood Altwaijry, Anwar Baquaysh, Ashwaq Aljuraisy, Seema Zargar
Summary: This study evaluated the binding and displacement interaction of colchicine and azithromycin to bovine serum albumin. Results indicated that azithromycin did not interfere in the binding of colchicine to BSA, nor did it bind to BSA in the presence of colchicine.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Mohammed A. A. Meetani, Ahmad Alhalabi, Mohammed K. K. Al-Tabaji, Abdulla Al-Hemyari, Haythem A. A. Saadeh, Na'il Saleh
Summary: In this study, sensitive spectrofluorometry and liquid chromatography with fluorescence detection were used to detect and determine the naproxen drug, and it was found that the addition of cucurbit7uril (CB7) improved the fluorescence signals. The guest-host interaction between naproxen and cucurbiturils was investigated using fluorescence spectroscopy, mass spectrometry, H-1-NMR, and liquid chromatography with fluorescence detection. It was discovered that naproxen formed a supramolecular complex with CB7, and the optimal conditions for the interaction were determined. HPLC with a fluorescence detector was then used to detect naproxen in wastewater samples by sample enrichment. The measured concentrations of naproxen in the influent and effluent wastewater were determined.
FRONTIERS IN CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Saima Afzal, Masrat Maswal, Mohd Sajid Lone, Uzma Ashraf, Umar Mushtaq, Aijaz Ahmad Dar
Summary: In this work, biocompatible metallohydrogels were successfully fabricated via coordination complexation between polymeric O- and metal ions, demonstrating remarkable thixotropic and rapid self-healing properties. Among the metallogels, Cu-PVA hydrogel showed superior mechanical strength, elasticity, and self-healing ability, making it a potential candidate for dye separation applications.
JOURNAL OF MATERIALS RESEARCH
(2021)
Article
Chemistry, Physical
Imtiyaz Ahmad Bhat, Tasneem Kausar, Aijaz Ahmad Dar, Shahid M. Nayeem, Mohd Akram, Kabir-ud-Din
Summary: This research investigates the interaction between two asymmetric zwitterionic geminis and lysozyme, finding that the n(-)-2-(+)m complex binds more significantly to HEWL than 8(-)-2-(+)16. Fluorescence and CD spectroscopy reveal conformational changes in HEWL upon surfactant addition. Molecular docking identifies the binding sites of the geminis with HEWL, and molecular simulation indicates the formation of stable protein-surfactant complexes.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Firdaus Ahmad Ahanger, Nighat Nazir, Mohd Sajid Lone, Saima Afzal, Aijaz Ahmad Dar
Summary: Researchers have developed a photoluminescent system that can adjust emission color in response to different stimuli, achieving pure white light emission with an on/off switch function. This system has potential applications in fluorescent ink and film materials.
Article
Chemistry, Applied
Pawandeep Kour, Saima Afzal, Adil Gani, Mohammed Iqbal Zargar, Umar Nabi Tak, Showkat Rashid, Aijaz Ahmad Dar
Summary: Nanoemulsion encapsulated in ionotropic hybrid hydrogel beads of alginate, chitosan, gelatin and polyethylene oxide can effectively deliver hydrophobic active ingredients like curcumin, enhancing their bioavailability and biological activities. The release behavior in simulated gastric and intestinal fluids showed faster release in gastric fluid, potentially due to mesh size, hydration extent, and interaction with Ca2+ ions. The released curcumin in gastric fluid showed significantly greater free radical scavenging and antibacterial activities compared to intestinal fluid.
Article
Chemistry, Physical
Hina Kouser Qadri, Arjumund Shaheen, Showkat Rashid, Imtiyaz Ahmad Bhat, Ghulam Mohammad Rather, Aijaz Ahmad Dar
Summary: In this study, the mixed micelle and monolayer formation of a biocompatible and cleavable gemini surfactant 16-E1-16 with the copolymer P123 were investigated. Strong interaction between P123 and 16-E1-16 was observed, resulting in the formation of small mixed micelles with similar composition and thermodynamically stable mixed monolayers. The formulations of binary mixtures of P123 and 16-E1-16 showed better injectable properties and faster drug release rate, making them potential candidates for injectable drug delivery systems.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Haamid Rasool Bhat, Malay Kumar Rana, Aijaz Ahmad Dar
Summary: The study investigates the capability of the Cucurbit [n]uril molecule family to capture and sense toxic chemical warfare agents using density functional theory and time-dependent density functional theory. The results demonstrate that CB[6] has good binding stability with the nerve agent cyclosarin, but the stability decreases with an increase in the number of cyclosarin guests. Infrared spectroscopic vibrational signatures and fluorescence spectra analysis confirm the stability of the inclusion complexes and the importance of the NBD fluorophore.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Rohi Masrat, Aijaz Ahmad Dar
Summary: The rheological behavior of aqueous solutions of biocompatible polymer HPC in the presence of cationic CTAB and nonionic Tween 40 has been investigated. Steady-state bulk experiments show two distinct regions in the rheogram, while dynamic experiments indicate a decrease in the stability of HPC hydrogels with increasing surfactant concentration. Interfacial shear tests reveal a non-Newtonian dilatant behavior at the solution-air interface and two distinct dilatant regions separated by a Newtonian region at the solution-soya oil interface. The strength of films formed at the two interfaces decreases with the increase of surfactant concentration, indicating stronger interaction between HPC and CTAB than Tween 40.
Article
Chemistry, Multidisciplinary
Masrat Bashir, Aijaz A. Dar, Imtiyaz Yousuf
Summary: This study synthesized and characterized Mn(II)- and Zn(II)-based complexes 1 and 2 derived from the aroyl-hydrazone Schiff base ligand (L1). The compounds were fully characterized using various analytical techniques. In vitro interaction studies with ct-DNA and bovine serum albumin (BSA) showed that complex 2 exhibited stronger binding than complex 1 and L1. The Mn(II) complex demonstrated better antioxidant ability, while complex 2 showed more effective bactericidal activity against Gram-positive bacteria. In terms of cytotoxicity, the polymeric Zn(II) complex exhibited better and selective cytotoxicity against the A549 cancer cell line.
Article
Biochemistry & Molecular Biology
Umar Nabi Tak, Showkat Rashid, Pawandeep Kour, Nighat Nazir, Mohammed Iqbal Zargar, Aijaz Ahmad Dar
Summary: An ultra-stretchable, quickly self-healable adhesive hydrogel loaded with Bergenia stracheyi extract demonstrates potential for use as wound dressing material. The hydrogel, synthesized using biocompatible and biodegradable polymers and the plant extract, exhibits excellent tissue adhesion, stretchability, mechanical strength, anti-bacterial capability, and anti-oxidant properties. These properties make the hydrogel suitable for biomedical applications.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Food Science & Technology
Pawandeep Kour, Aijaz Ahmad Dar
Summary: The development of hybrid formulations incorporating hydrogels, antioxidants, and nanoemulsions containing polyunsaturated fatty acids is in high demand. In this study, we formulated quercetin-loaded oil-in-water nanoemulsions using surfactants such as Tween 20 (nonionic), sodium lauroyl sarcosine (anionic), and 3-(N,N-dimethylmyristylammonio)-propanesulfonate (zwitterionic) to control autoxidative degradation of linoleic acid. The nanoemulsions with anionic and zwitterionic surfactants exhibited better control of lipid peroxidation at 37 degrees C, with droplet sizes less than 200 nm. The hybrid alginate capsules derived from these formulations showed good release of quercetin and scavenging activity against DPPH radicals, making them robust and suitable for applications in the food and pharmaceutical industries.
ACS FOOD SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Masrat Bashir, Aijaz A. Dar, Imtiyaz Yousuf
Summary: This work focuses on the synthesis, characterization, and biological profile of Mn(II)- and Zn(II)-based complexes derived from a specific ligand. The structural and electronic properties were studied, and the stability of crystal lattice structures was investigated. The complexes showed avid binding to DNA and exhibited antioxidant and antibacterial activities. Furthermore, the polymeric Zn(II) complex exhibited selective cytotoxicity against a lung cancer cell line.
Article
Nanoscience & Nanotechnology
Nirbhai Singh, Shikha Aery, Smayira Juneja, Laxmi Kumari, Mohd Sajid Lone, Aijaz Ahmad Dar, Sandip Pawar, Surinder K. Mehta, Abhijit Dan
Summary: This study presents a promising strategy for drug delivery using chitosan hydrogels and dual-responsive microgels. The composite materials showed controllable release of the drug and excellent biocompatibility.
ACS APPLIED BIO MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Nirbhai Singh, Shikha Aery, Smayira Juneja, Laxmi Kumari, Mohd Sajid Lone, Aijaz Ahmad Dar, Sandip V. Pawar, Surinder K. Mehta, Abhijit Dan
Summary: A promising strategy based on chitosan hydrogels and dual temperature- and pH-responsive microgels was reported for the release of a model drug, moxifloxacin. The microgels were incorporated inside the hydrogel matrix, resulting in a double barrier system that significantly reduced the drug release rate and prolonged the delivery time. The release of moxifloxacin could be controlled by regulating the temperature and pH of the delivery medium.
ACS APPLIED BIO MATERIALS
(2022)
Article
Veterinary Sciences
Mujeeb Ur Rehman Fazili, Aijaz Ahmad Dar, Akeel Bashir Beigh, Anees Ahmad Shah, Rameez Ali Dar
Summary: The study concludes that the modified intralingual suture technique is minimally invasive, cost-effective, suitable for field application, and more acceptable to farmers/animal owners for treating cross-sucking in heifers.
ACTA VETERINARIA EURASIA
(2022)
Article
Chemistry, Organic
Mohmad Muzafar Wani, Aijaz Ahmad Dar, Bilal A. Bhat
Summary: This study presents a novel Morita-Baylis-Hillman reaction utilizing electron-deficient alkenes in micellar media for the synthesis of a wide range of aryl and aliphatic ketones. The reaction takes place in water under mild conditions within the confined environment of micelles, aligning with the principles of sustainable and green chemistry. Detailed proton NMR studies establish the site of the reaction in the palisade region of the micellar assembly, suggesting the potential of employing micellar catalysis for energetically less favorable chemical transformations.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
