Chemistry - Research Publications

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    Reduced and oxidized rice straw biochar for hexavalent chromium adsorption: Revisiting the mechanism of adsorption
    (Elsevier Ltd, 2023-11-01T00:00:00) Dahiya, Amarjeet; Bhardwaj, Akanksha; Rani, Archana; Arora, Meenu; Babu, J. Nagendra
    Surface oxygen functional groups of biochar were tuned by oxidation and reduction of biochar for establishing Cr(VI) adsorption mechanism. Oxygen functional groups (OFGs) on the surface of leached rice straw biochar (LBC4-6) obtained from pyrolysis at 400, 500 and 600 �C, were oxidized to furnish OBC4-6 using modified Hummer's method. Reduced biochar RBC4-6 were obtained by esterification and NaBH4/I2 reduction of oxidized biochar (OBC4-6). The modified biochar were characterized by increase in O/C and H/C ratio, respectively, in case of OBC4-6 and RBC4-6. The Cr(VI) adsorption by modified biochar LBC4-6, OBC4-6, and RBC4-6 showed optimum conditions of pH 3 and dose 0.1 g/L with a good non-linear fit for Langmuir & Freundlich isotherm. The maximum adsorption (Qm) followed the trend: OBC4 (17.47 mg/g) > RBC4 (15.23) > OBC5 (13.23) > LBC4 (10.23) > RBC5 (9.83) > OBC6 (9.60) > RBC6 (7.24) > LBC5 (6.32) > LBC6 (5.98). The adsorption kinetics for adsorption of Cr(VI) on to modified biochar fits pseudo second order (PSO), Elovich and intraparticle diffusion kinetics, showing a chemisorptions in case of biochar L/O/RBC4-6. The lower temperature modified biochar O/RBC4 show better Cr(VI) adsorption. X-ray Photoelectron Spectroscopy (XPS) studies establish optimum OFGs for reduction of Cr(VI) and chelation of the reduced Cr(III). Adsorption and stripping cycles show the oxidized and reduced biochar as better adsorbents with excellent stripping of Cr up to >98 % upon desorption with 1 M NaOH. � 2023
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    From 2011 to 2022: The development of pyrazole derivatives through the ?,?-unsaturated carbonyl compounds
    (HeteroCorporation, 2023-11-25T00:00:00) Sharma, Shubham; Singh, Virender; Vaishali; Kumar, Rakesh; Jamra, Rahul; Banyal, Naveen; Jyoti
    The synthesis of pyrazole derivative using ?,?-unsaturated carbonyl compounds has attracted increasing attention of the synthetic organic chemist community. Interestingly, the simplicity of the synthetic method, high reactivity, and ease of incorporating diversity into the desired prototype have contributed a lot toward the exploration of ?,?-unsaturated carbonyl compounds by various research groups. Due to the tremendous pharmacological significance of pyrazole derivatives, their synthesis has been one of the leading research frontiers in recent years. As prime examples, sildenafil, zometapin, Celebrex, and rimonabant have been successfully commercialized in the market to treat various life-challenging diseases. Considering the great profile of ?,?-unsaturated carbonyl compound in the synthesis of biologically active pyrazole derivatives, this review incorporates contemporary literature (2011�2022) on the synthesis of pyrazole and its derivatives using ?,?-unsaturated carbonyl compound as a starting precursor. � 2023 Wiley Periodicals LLC.
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    Tetracycline removal via three-way synergy between pistachio shell powder, zerovalent copper or iron, and peroxymonosulfate activation
    (Elsevier B.V., 2023-10-20T00:00:00) Kaur, Parminder; Kumar, Atul; Babu, J. Nagendra; Kumar, Sandeep
    Pistachio shell powder (PS) immobilized zerovalent iron and zerovalent copper (ZVI@PS and ZVC@PS) were investigated for the tetracycline (TCH) removal via sulfate radical based advanced oxidation process (S-AOP's). Eco-efficient ZVI@PS and ZVC@PS nanocomposite prepared by one-pot redox precipitation method were characterized by using FTIR, XRD, SEM, BET, TGA/DTA, and XPS techniques. The EDX, TGA, and AAS analysis techniques confirmed the loading of 44 % Fe and 40 % Cu (w/w %) onto the pistachio shell biomass in ZVI@PS and ZVC@PS nanocomposites, respectively. This report comprehensively discusses the effect of various contributing factors for the TCH removal via advanced oxidation processes such as catalytic dosage, initial pH, PMS dosage and initial TCH concentrations, etc. Besides that, the role of reactive oxygen species (SO4?,.OH, O2?, and 1O2) in the TCH degradation process was investigated using radical scavenging experiments. A three-way synergistic approach was established between adsorption efficiencies of pistachio shell powder, heterogeneous ZVI or ZVC mediated Fenton-process and enhanced PMS activation process, for the observed enhanced TCH degradations. The observed rate constant (kobs.) values of ZVI@PS-PMS (0.34 min?1) and ZVC@PS-PMS (0.16 min?1) processes for TCH removal suggests that the ZVI@PS was more efficient in TCH removal compared to ZVC@PS. � 2023 The Author(s)
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    Single-molecule analysis of osmolyte-mediated nanomechanical unfolding behavior of a protein domain
    (Elsevier B.V., 2023-09-16T00:00:00) Bajaj, Manish; Muddassir, Mohd; Choi, Bumjoon; Singh, Priyanka; Park, Jong Bum; Singh, Surjeet; Yadav, Manisha; Kumar, Rajesh; Eom, Kilho; Sharma, Deepak
    The small organic molecules, known as osmolytes being ubiquitously present in different cell types, affect protein folding, stability and aggregation. However, it is unknown how the osmolytes affect the nanomechanical unfolding behavior of protein domain. Here, we show the osmolyte-dependent mechanical unfolding properties of protein titin immunoglobulin-27 (I27) domain using an atomic force microscopy (AFM)-based single-molecule force spectroscopy. We found that amines and methylamines improved the mechanical stability of I27 domain, whereas polyols had no effect. Interestingly, glycine betaine (GB) or trimethylamine-N-oxide (TMAO) increased the average unfolding force of the protein domain. The kinetic parameters analyzed at single-molecule level reveal that stabilizing effect of osmolytes is due to a decrease in the unfolding rate constant of I27, which was confirmed by molecular dynamics simulations. Our study reveals different effects that diverse osmolytes have on the mechanical properties of the protein, and suggests the potential use of osmolytes in modulating the mechanical stability of proteins required for various nano-biotechnological applications. � 2023 Elsevier B.V.
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    Synthesis and Characterization of Novel Pd@rGO?CuFe2O4 Magnetic Nanoparticles: A Recyclable Catalyst for C?C Coupling Reaction in Biomass-Derived Organic Solvent
    (John Wiley and Sons Inc, 2023-10-06T00:00:00) Teli, Yaqoob A.; Reetu, Reetu; Singh, Priyanka Gurdev; Patel, Mayur Jagdishbhai; Dash, Sonali; Paine, Snehangshu; Prabhakar, Poornachandra Shamanna; Singh, Virender; Keremane, Kavya S.; Al-Zaqri, Nabil; Mukherjee, Kalisadhan; Dutta, Saikat; Malakar, Chandi C.
    Development of new, cost effective, stable heterogeneous catalyst for the organic transformations is an important thematic area of research. Present work describes the development of new Pd@rGO?CuFe2O4 catalyst and demonstrates its effectiveness for Suzuki-Miyaura type coupling reactions. The additional advantage of this reaction is its feasibility using biomass-derived solvent like ?-Valerolactone (GVL) in aqueous media. The catalyst is prepared hydrothermally and characterized using XRD, FESEM, EDX, and XPS analysis. The catalyst exhibits excellent activity and recyclability (up to six times) in the C?C coupling reaction to deliver the corresponding biaryl molecules in yields up to 90 %. High efficiency for the conversion of nitriles to amides is also revealed by the prepared catalyst. � 2023 Wiley-VCH GmbH.
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    Efficient synthesis and mechanistic insights for the formation of imidazo[1,2-a]pyridines via multicomponent decarboxylative coupling using chitosan-supported copper catalysts
    (Elsevier B.V., 2023-10-03T00:00:00) Kaur, Pavneet; Gurjar, Kamlesh K.; Arora, Tania; Bharti, Divya; Kaur, Manpreet; Kumar, Vinod; Parkash, Jyoti; Kumar, Rakesh
    An efficient multicomponent decarboxylative coupling of 2-aminopyridines, aldehydes and alkynoic acids for the synthesis of imidazo[1,2-a]pyridines was developed using recyclable chitosan-supported copper (chit@CuSO4) as a heterogeneous catalyst. Computational and experimental evidence revealed that in situ generated propargylamine undergoes cyclization to the desired imidazopyridine via prototropic isomerization involving allene type intermediates. Control experiments on isolated propargylamine demonstrated that cyclization could proceed without any metal catalyst. In literature, the cyclization step is assumed to be facilitated by metal catalyst and experimental proof for the involvement of actual intermediates is not available. The synthesized imidazopyridines were further evaluated for antiproliferative activity against human neuroblastoma cells (SHSY-5Y) using MTT assay. � 2023 Elsevier B.V.
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    Electrochemical Biosensors for the Detection of Antibiotics in Milk: Recent Trends and Future Perspectives
    (Multidisciplinary Digital Publishing Institute (MDPI), 2023-09-01T00:00:00) Singh, Baljit; Bhat, Abhijnan; Dutta, Lesa; Pati, Kumari Riya; Korpan, Yaroslav; Dahiya, Isha
    Antibiotics have emerged as ground-breaking medications for the treatment of infectious diseases, but due to the excessive use of antibiotics, some drugs have developed resistance to microorganisms. Because of their structural complexity, most antibiotics are excreted unchanged, polluting the water, soil, and natural resources. Additionally, food items are being polluted through the widespread use of antibiotics in animal feed. The normal concentrations of antibiotics in environmental samples typically vary from ng to g/L. Antibiotic residues in excess of these values can pose major risks the development of illnesses and infections/diseases. According to estimates, 300 million people will die prematurely in the next three decades (by 2050), and the WHO has proclaimed �antibiotic resistance� to be a severe economic and sociological hazard to public health. Several antibiotics have been recognised as possible environmental pollutants (EMA) and their detection in various matrices such as food, milk, and environmental samples is being investigated. Currently, chromatographic techniques coupled with different detectors (e.g., HPLC, LC-MS) are typically used for antibiotic analysis. Other screening methods include optical methods, ELISA, electrophoresis, biosensors, etc. To minimise the problems associated with antibiotics (i.e., the development of AMR) and the currently available analytical methods, electrochemical platforms have been investigated, and can provide a cost-effective, rapid and portable alternative. Despite the significant progress in this field, further developments are necessary to advance electrochemical sensors, e.g., through the use of multi-functional nanomaterials and advanced (bio)materials to ensure efficient detection, sensitivity, portability, and reliability. This review summarises the use of electrochemical biosensors for the detection of antibiotics in milk/milk products and presents a brief introduction to antibiotics and AMR followed by developments in the field of electrochemical biosensors based on (i) immunosensor, (ii) aptamer (iii) MIP, (iv) enzyme, (v) whole-cell and (vi) direct electrochemical approaches. The role of nanomaterials and sensor fabrication is discussed wherever necessary. Finally, the review discusses the challenges encountered and future perspectives. This review can serve as an insightful source of information, enhancing the awareness of the role of electrochemical biosensors in providing information for the preservation of the health of the public, of animals, and of our environment, globally. � 2023 by the authors.
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    Metal- and Hazardous Reagent-Free Transamidation Process: the NH2OH?HCl Promoted N-Formylation and N-Acylation Reaction under Solvent-Less Conditions
    (Taylor and Francis Ltd., 2023-09-14T00:00:00) Devi, Elangbam Pinky; Kant, Kamal; Kaldhi, Dhananjaya; Ghanta, Susanta; Sengupta, Ragini; Al-Zaqri, Nabil; Singh, Virender; Malakar, Chandi C.
    An efficient transamidation process has been described under solvent-less conditions. The transformation has been accomplished by employing NH2OH?HCl as a reagent and amines as substrates. The developed method is achieved in the absence of metals and hazardous reagents. A series of amines were explored to obtain the N-formylation and N-acylation reactions with excellent yields (81-96%) of products. The DFT analysis was also performed, which provides a clear understanding of the described N-formylation process. The postulated mechanism is well supported by the control experiments. � 2023 Taylor & Francis Group, LLC.
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    Bifunctional electrochemical OER and HER activity of Ta2O5 nanoparticles over Fe2O3 nanoparticles
    (Royal Society of Chemistry, 2023-08-23T00:00:00) Ahmed, Imtiaz; Burman, Vishal; Biswas, Rathindranath; Roy, Ayan; Sharma, Rohit; Haldar, Krishna Kanta
    Hydrogen production via electrocatalytic water splitting offers encouraging innovations for sustainable and clean energy production as an alternative to conventional energy sources. The improvement of extraordinarily dynamic electrocatalysts is of great interest for work on the performance of gas generation, which is firmly blocked due to the sluggish kinetics of the oxygen evolution reaction (OER). The development of highly efficient base metal catalysts for electrochemical hydrogen and oxygen evolution reactions (HER and OER) is a challenging and promising task. In the present work, a particle over particles of Fe2O3 and Ta2O5 was successfully produced by hydrothermal treatment. The prepared composite shows promising catalytic performance when used as an electrochemical catalyst for OER and HER in alkaline and acidic electrolytes with low overpotentials of 231 and 201 mV at 10 mV cm?2, small Tafel slopes of 71 and 135 mV dec?1, respectively, and good stability properties. The calculated electrochemical surface area (ECSA) for composites is five times higher than that of the original oxides. The result of the OER is significantly better than that of commercial IrO2 catalysts and offers a promising direction for the development of water-splitting catalysts. � 2023 The Royal Society of Chemistry.
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    Design, synthesis, and unraveling the antibacterial and antibiofilm potential of 2-azidobenzothiazoles: insights from a comprehensive in vitro study
    (Frontiers Media SA, 2023-09-07T00:00:00) Qadir, Tanzeela; Kanth, Saadat A.; Aasif, Mohammad; Fadul, Abdalla N.; Yatoo, Gulam N.; Jangid, Kailash; Mir, Mushtaq A.; Shah, Wajahat A.; Sharma, Praveen K.
    The present study reports the synthesis of 2-azidobenzothiazoles from substituted 2-aminobenzothiazoles using sodium nitrite and sodium azide under mild conditions. All the synthesized compounds were examined for their antibacterial activity against Gram (+) bacteria, Staphylococcus aureus (ATCC 25923), Enterococcus faecalis (ATCC 51299), Bacillus cereus (ATCC 10876) and Gram (?) bacteria, Escherichia coli (ATCC 10536), Pseudomonas aeruginosa (ATCC 10145), Klebsiella pneumonia (ATCC BAA-2146)and clinical isolates of Gram (+) Methicillin Resistant S. aureus (MRSA) and Multi Drug Resistant E. coli. The Minimum Inhibitory Concentration (MIC) and Minimum Bactericidal Concentration (MBC) values by broth dilution method revealed that compound 2d exhibited significant antibacterial potential against E. faecalis and S. aureus with MIC of 8�?g/mL, while other synthesized compounds had only moderate effects against all the tested species. The compound significantly inhibited the biofilm formation of the bacterial strains below its MIC. The selective cytotoxicity of Compound 2d towards bacterial cells was evidenced on extended exposure of Human Embryonic Kidney-293 cell line to higher concentrations of the compound. Hence, the present study confirmed that compound 2d can be a potential drug candidate for future development as an antibacterial drug. Copyright � 2023 Qadir, Kanth, Aasif, Fadul, Yatoo, Jangid, Mir, Shah and Sharma.