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1.
Prep Biochem Biotechnol ; : 1-10, 2024 May 07.
Article in English | MEDLINE | ID: mdl-38713771

ABSTRACT

α-Galactosidase (α-GAL) is a class of hydrolase that releases galactose from galacto-oligosaccharides and synthetic substrates such as pNPG. In this study, the production of α-GAL by Actinoplanes utahensis B1 in submerged fermentation was enhanced by using statistical methods. The effects of temperature, pH, and inoculum percentage on enzyme secretion were optimized using BBD of RSM. The optimized process was scaled up from the shake flask to the laboratory scale (5 L) and to pilot scale (30 L) using KLa based scale-up strategy. By using BBD, a maximum yield of 62.5 U/mL was obtained at a temperature of 28 °C, a pH of 6.9, and an inoculum of 6.4%. Scale-up was performed successfully and achieved a yield of 74.4 U/mL and 76.8 U/mL in laboratory scale and pilot scale fermenters. The TOST was performed to validate the scale-up strategy and the results showed a confidence level of 95% for both scales indicating the perfect execution of scale-up procedure. Through the implementation of BBD and scale-up strategy, the overall enzyme yield has been significantly increased to 76%. This is the first article to explore the scale-up of α-GAL from the A. utahensis B1 strain and provide valuable insights for industrial applications.

2.
Mycology ; 15(1): 70-84, 2024.
Article in English | MEDLINE | ID: mdl-38558844

ABSTRACT

In India, the incidence of mucormycosis reached high levels during 2021-2022, coinciding with the COVID-19 pandemic. In response to this, we established a multicentric ambispective cohort of patients hospitalised with mucormycosis across India. In this paper, we report their baseline profile, clinical characteristics and outcomes at discharge. Patients hospitalized for mucormycosis during March-July 2021 were included. Mucormycosis was diagnosed based on mycological confirmation on direct microscopy (KOH/Calcofluor white stain), culture, histopathology, or supportive evidence from endoscopy or imaging. After consent, trained data collectors used medical records and telephonic interviews to capture data in a pre-tested structured questionnaire. At baseline, we recruited 686 patients from 26 study hospitals, of whom 72.3% were males, 78% had a prior history of diabetes, 53.2% had a history of corticosteroid treatment, and 80% were associated with COVID-19. Pain, numbness or swelling of the face were the commonest symptoms (73.3%). Liposomal Amphotericin B was the commonest drug formulation used (67.1%), and endoscopic sinus surgery was the most common surgical procedure (73.6%). At discharge, the disease was stable in 43.3%, in regression for 29.9% but 9.6% died during hospitalization. Among survivors, commonly reported disabilities included facial disfigurement (18.4%) and difficulties in chewing/swallowing (17.8%). Though the risk of mortality was only 1 in 10, the disability due to the disease was very high. This cohort study could enhance our understanding of the disease's clinical progression and help frame standard treatment guidelines.

3.
ACS Omega ; 9(10): 11110-11128, 2024 Mar 12.
Article in English | MEDLINE | ID: mdl-38497022

ABSTRACT

Energy-efficient refrigeration technology needs to advance ineluctably due to rising energy consumption and diminishing fossil fuel and primitive hydrocarbon reserves. Further, the existing gas compression method releases huge amount of chlorofluorocarbons (CFCs) that deplete the ozone layer. This is a global concern, which demands an immediate remedial technology. As a potential solution to the problem of sustainability and a means of meeting the ever-increasing demand for energy, environmentally friendly and socially responsible renewable energy sources could serve as an ideal replacement for traditional refrigeration technology. Solid-state refrigeration using magnetocaloric materials is one prominent technique that can be adopted for clean and economical refrigeration or cooling requirements. In this review, we briefly introduce the present understanding on magnetocaloric LaFe13-xSix alloys with a specific emphasis on their application in magnetic refrigeration. This paper deals with the advantages and disadvantages of different synthesis methods for producing LaFe13-xSix and enhancing its magnetocaloric effects. Annealing time, yield, composition, and relative cooling power are examined as prospective industrial implementation factors for the La(Fe,Si)13 synthesis process. The initial sections have been devoted to an overview of the magnetocaloric effect and its different types and history. Further, the article reviews the evolution of a new preparation method called melt spinning, other synthesizing methods, and some developments around the world for the prototypes of La(Fe,Si)-based magnetic refrigeration methods. According to the findings in the scholarly literature, the synthesis process of melt spinning has the potential to be commercialized because of its capacity to create huge quantities of La(Fe,Si)13 with a high purity in a very short amount of time.

4.
World J Microbiol Biotechnol ; 40(3): 91, 2024 Feb 12.
Article in English | MEDLINE | ID: mdl-38345638

ABSTRACT

α-Galactosidase is an important exoglycosidase belonging to the hydrolase class of enzymes, which has therapeutic and industrial potential. It plays a crucial role in hydrolyzing α-1,6 linked terminal galacto-oligosaccharide residues such as melibiose, raffinose, and branched polysaccharides such as galacto-glucomannans and galactomannans. In this study, Actinoplanes utahensis B1 was explored for α-galactosidase production, yield improvement, and activity enhancement by purification. Initially, nine media components were screened using the Plackett-Burman design (PBD). Among these components, sucrose, soya bean flour, and sodium glutamate were identified as the best-supporting nutrients for the highest enzyme secretion by A. Utahensis B1. Later, the Central Composite Design (CCD) was implemented to fine-tune the optimization of these components. Based on sequential statistical optimization methodologies, a significant, 3.64-fold increase in α-galactosidase production, from 16 to 58.37 U/mL was achieved. The enzyme was purified by ultrafiltration-I followed by multimode chromatography and ultrafiltration-II. The purity of the enzyme was confirmed by Sodium Dodecyl Sulphate-Polyacrylamide Agarose Gel Electrophoresis (SDS-PAGE) which revealed a single distinctive band with a molecular weight of approximately 72 kDa. Additionally, it was determined that this process resulted in a 2.03-fold increase in purity. The purified α-galactosidase showed an activity of 2304 U/mL with a specific activity of 288 U/mg. This study demonstrates the isolation of Actinoplanes utahensis B1 and optimization of the process for the α-galactosidase production as well as single-step purification.


Subject(s)
Actinoplanes , Oligosaccharides , alpha-Galactosidase , alpha-Galactosidase/chemistry , Molecular Weight , Hydrogen-Ion Concentration
5.
Mar Pollut Bull ; 194(Pt B): 115339, 2023 Sep.
Article in English | MEDLINE | ID: mdl-37517279

ABSTRACT

In order to better understand the distribution pattern, pollution degree and the submarine groundwater discharge (SGD) of dissolved heavy metals, 15 subterranean estuaries (STEs) along southwest Indian coast were sampled over three contrasting seasons. The average concentration of metals were ranked as, pre-monsoon > monsoon > post-monsoon with 3 to 12-fold higher groundwater metal concentrations than the adjacent seawater. Average SGD derived essential metal fluxes were five times higher than the toxic metal fluxes of which Fe and Zn together contributed >90 %. Using the Single Factor Contamination Index, the majority of sites were minimally contaminated with only two sites indicating moderate ecological risk due to As. Higher fluxes of Fe, Cu and Zn were likely a result of rising anthropogenic activities. The SGD derived nutrient fluxes were an important source of DIP for primary production in coastal waters and represented 30 % and 44 % of the DIN and DIP inputs respectively.


Subject(s)
Groundwater , Metals, Heavy , Estuaries , Seasons , Seawater , Nutrients , India , Environmental Monitoring
6.
Micron ; 166: 103401, 2023 Mar.
Article in English | MEDLINE | ID: mdl-36587488

ABSTRACT

The Electron Backscatter Diffraction (EBSD) method has been characterized as a potential tool for analysing the microstructural changes that occur during the sintering processes and it possesses the ability to depict misorientation diagrams, pole figures and grain size distribution. The present work focuses on observing the microstructure evolution of the prepared 316 stainless steel with 10 wt% of B4C samples sintered at the temperatures of 800, 900, and 1000 °C using the Spark Plasma Sintering (SPS) method. The samples are in the equiaxed form of recrystallized grains and they are elongated. Further, the samples sintered at 900 °C are equally recrystallized compared to other samples sintered at 800 and 1000 °C, where the microstructure is partially recrystallized with a high fraction. The result is explicable, by increasing the carbon content it causes the reduction of grain boundaries as well as decreases the migration rate of twin boundary generation. Hence, twin character loss is accelerated by the increase of carbon content with low-angle boundaries, and because of the typical drag effect, it has been discovered that the dynamically recrystallized grain size is reduced. The partitioning of these microstructures is done to differentiate the sintered sample and the recrystallized grains, based on the Grain Orientation Spread (GOS) map. The experimental investigation has suggested that the samples sintered at 900 °C has a more favourable microstructure analysis than the other samples sintered at 800 °C and 1000 °C, respectively.

7.
Ber Wiss ; 45(4): 561-580, 2022 Dec.
Article in English | MEDLINE | ID: mdl-36442859

ABSTRACT

This essay will discuss the hegemonic role that texts have come to play in the historiography of subcontinental mathematical traditions. It will argue that texts need to be studied as records of practices of people's working lives, grounded in social hierarchies. We will take particular mathematical texts to show how different occupational registers have come to shape practices that defy the binaries of concrete and abstract, high and low mathematics or the pure and applied conundrum. Measuring, counting and accounting practices as part of the routine work of practitioners performing their caste occupations then provide us with a spectrum of the computational activities that controlled and regulated the lives of people in the past. In the process the act of computing itself gained certain political values such as cunning and manipulation, identified with professions of village accountant and merchant, for example. Drawn from my earlier work on these records, I discuss the occupational role of the accountant as a political functionary who assessed and authenticated the measurements of land and produce in the village, making values of the labor performed by others, and creating avenues for his own proficiency as a mathematical practitioner.


Subject(s)
Hierarchy, Social , Social Class , Humans , India
8.
Article in English | MEDLINE | ID: mdl-35845582

ABSTRACT

In the medical field, some specialized applications are currently being used to treat various ailments. These activities are being carried out with extra care, especially for cancer patients. Physicians are seeking the help of technology to help diagnose cancer, its dosage, its current status, cancer classification, and appropriate treatment. The machine learning method developed by an artificial intelligence is proposed here in order to effectively assist the doctors in that regard. Its design methods obtain highly complex cancerous inputs and clearly describe its type and dosage. It is also recommending the effects of cancer and appropriate medical procedures to the doctors. This method ensures that a lot of doctors' time is saved. In a saturation point, the proposed model achieved 93.31% of image recognition, 6.69% of image rejection, 94.22% accuracy, 92.42% of precision, 93.94% of recall rate, 92.6% of F1-score, and 2178 ms of computational speed. This shows that the proposed model performs well while compared with the existing methods.

9.
Sci Total Environ ; 832: 154900, 2022 Aug 01.
Article in English | MEDLINE | ID: mdl-35367545

ABSTRACT

Mangrove forests sequester organic carbon, nutrients and toxic metals sorbed to fine sediment, and thus restrict the mobility of pollutants through estuarine environments. However, mangrove removal and environmental degradation caused by industrial activity and urban growth can impact the ability of mangrove communities to provide these critical ecosystem services. Here, we use sediment profiles from an impacted tropical estuary in southwest India to provide a c. 70-year record of carbon, nutrient and trace metal burial in the context of rapid urban development and the systemic removal of mangrove communities. Our results show that carbon and nutrient accumulation rates increase sharply during the 1990's in accordance with the high rates of deforestation. Nitrogen and phosphorus accumulation rates increased fourfold and twofold, respectively, during the same period. Organic carbon accumulation was fivefold higher than the global average during this period, reflecting intense deforestation during the last three decades. The enrichment of Hg, Zn, Pb, Mo, Ni, Cu and Mn demonstrate clear anthropogenic impact starting in the 1950's and peaking in 1990. Mercury, the trace metal with the highest enrichment factor, increased sevenfold in the most recent sediments due to increased fossil fuel emissions, untreated water and incineration of medical waste and/or fertilizers used in aquaculture. Organic carbon isotope (δ13C) and C:N molar ratios indicate shifts to more terrestrial-derived source of organic matter in the most recent sediments reflecting growing deforestation of which may be prevalent in southeast Asia due to increasing development. This study emphasizes the critical role played by mangrove ecosystems in attenuating anthropogenically-derived pollutants, including carbon sequestration, and reveals the long-term consequences of mangrove deforestation in the context of rapidly developing economies.


Subject(s)
Mercury , Metals, Heavy , Trace Elements , Water Pollutants, Chemical , Asia , Carbon/analysis , Ecosystem , Environmental Monitoring/methods , Estuaries , Geologic Sediments , Mercury/analysis , Metals, Heavy/analysis , Nutrients , Trace Elements/analysis , Water Pollutants, Chemical/analysis , Wetlands
10.
Sci Total Environ ; 807(Pt 3): 151888, 2022 Feb 10.
Article in English | MEDLINE | ID: mdl-34822901

ABSTRACT

Developed coastal regions are the hotspots for contaminated groundwater discharge, affecting sensitive marine ecosystems. The present study aims to identify submarine groundwater discharge (SGD) locations and quantify the contaminant load reaching to the western coast of India (Gujarat coast) using stable isotopes, seepage meter, heat and solute transport model. The coastal aquifers are highly enriched in trace metals due to various active natural processes and anthropogenic activities across the coast. Terrestrial and recirculated SGD was a significant contributor to flow and metal load, which ranged from 1.04 to 181.1 m3.year-1 and 0-77.41 kg.year-1, respectively. The highest estimated SGD in the Gujarat coast was relatively less than the SGD reported in the Bay of Bengal and comparable to the South Chennai coast. The order of metal flux found in the study was Zn > Fe > Cr > Pb > Ni > Cu > Mn, whereas the highest flux of Zn (77.41 kg. year-1) was reported at Fansa beach, which was 7x Fe-flux and 45 x Cr-flux, respectively. Higher micronutrients (Fe and Zn) load in the southern coast leads to increased vulnerability of eutrophication, algal blooms and biotic ligand formation in aquatic species. This enrichment of micronutrients in the coastal ecosystem was evident by the growth of seaweeds on the seabed at SGD identified locations.


Subject(s)
Groundwater , Salinity , Anthropogenic Effects , Ecosystem , Hot Temperature , India , Temperature
11.
Mar Pollut Bull ; 174: 113233, 2022 Jan.
Article in English | MEDLINE | ID: mdl-34902766

ABSTRACT

Application of natural tracers such as radon isotope mass balance has been useful in estimating the submarine groundwater discharge (SGD). This study used 222Rn and evaluated the magnitude of SGD at Tiruchendur coast of southeast India in the Gulf of Mannar (Indian Ocean). Higher magnitudes of 222Rn in the porewater and seawater in comparison with the groundwater suggest simultaneous SGD with fluxes of 0.1-0.25 m3 m-2 d-1 at offshore and 0.4-0.20 m3 m-2 d-1 at the near shore. These baseline data would contribute to the management and protection of the Gulf of Mannar region in near future.


Subject(s)
Groundwater , Radon , Environmental Monitoring , India , Radon/analysis , Seawater , Ships
12.
Chemosphere ; 290: 133348, 2022 Mar.
Article in English | MEDLINE | ID: mdl-34922960

ABSTRACT

Mixed industrial wastewater treatment efficiency of combined electro-Fenton (EF) and electrocoagulation (EC) processes was investigated in the present study. Alkali modified laterite soil was used as a heterogeneous EF catalyst and found superior performance than the raw laterite soil. Initially, the effect of catalyst dosage, initial pH, and applied voltage on the performance of EF process was carried out. A total of 54.57% COD removal was observed after 60 min of the EF treatment. Further treatment was carried out with EC process at different voltages. A total of 85.27% COD removal after 2 h treatment was observed by combining two electrochemical processes. Performance of EF followed by EC (EF + EC) process was compared with EC followed by EF (EC + EF) process. Even though efficiency is the same, EF + EC is a better strategy than EC + EF as it nullifies the neutralization requirement after EF process in addition to high mineralization efficiency, enhanced biodegradability, and lesser sludge generation.


Subject(s)
Water Pollutants, Chemical , Water Purification , Electrocoagulation , Hydrogen Peroxide , Oxidation-Reduction , Waste Disposal, Fluid , Wastewater
13.
J Genet Eng Biotechnol ; 19(1): 39, 2021 Mar 12.
Article in English | MEDLINE | ID: mdl-33710435

ABSTRACT

BACKGROUND: Extracellular polysaccharides (ECPs) produced by biofilm-producing marine bacterium have great applications in biotechnology, pharmaceutical, food engineering, bioremediation, and bio-hydrometallurgy industries. The ECP-producing strain was identified as Acinetobacter indicus M6 species by 16S rDNA analysis. The polymer produced by the isolate was quantified and purified and chemically analyzed, and antioxidant activities have been studied. The face-centered central composite design (FCCCD) was used to design the model. RESULTS: The results have clearly shown that the ECP was found to be endowed with significant antioxidative activities. The ECP showed 59% of hydroxyl radical scavenging activity at a concentration of 500 µg/mL, superoxide radical scavenging activity (72.4%) at a concentration of 300 µg/mL, and DPPH˙ radical scavenging activity (72.2%) at a concentration of 500 µg/mL, respectively. Further, HPLC and GC-MS results showed that the isolated ECP was a heteropolymer composed of glucose as a major monomer, and mannose and glucosamine were minor monomers. Furthermore, the production of ECP by Acinetobacter indicus M6 was increased through optimization of nutritional variables, namely, glucose, yeast extract, and MgSO4 by "Response Surface Methodology". Moreover the production of ECP reached to 2.21 g/L after the optimization of nutritional variables. The designed model is statistically significant and is indicated by the R2 value of 0.99. The optimized medium improved the production of ECP and is two folds higher in comparison with the basal medium. CONCLUSIONS: Acinetobacter indicus M6 bacterium produces a novel and unique extracellular heteropolysaccharide with highly efficient antioxidant activity. GC-MS analyses elucidated the presence of quite uncommon (1→4)-linked glucose, (1→4)-linked mannose, and (→4)-GlcN-(1→) glycosidic linkages in the backbone. The optimized medium improved the production of ECP and is two folds higher in comparison with the basal medium. The newly optimized medium could be used as a promising alternative for the overproduction of ECP.

14.
J Biomol Struct Dyn ; 39(15): 5799-5803, 2021 Sep.
Article in English | MEDLINE | ID: mdl-32627715

ABSTRACT

In the present study, we explored phytochemical constituents of Tinospora cordifolia in terms of its binding affinity targeting the active site pocket of the main protease (3CL pro) of SARS-CoV-2 using molecular docking study and assessed the stability of top docking complex of tinosponone and 3CL pro using molecular dynamics simulations with GROMACS 2020.2 version. Out of 11 curated screened compounds, we found the significant docking score for tinosponone, xanosporic acid, cardiofolioside B, tembetarine and berberine in Tinospora cordifolia. Based on the findings of the docking study, it was confirmed that tinosponone is the potent inhibitor of main protease of SARS-CoV-2 with the best binding affinity of -7.7 kcal/mol. Further, ADME along with toxicity analysis was studied to predict the pharmacokinetics and drug-likeness properties of five top hits compounds. The molecular dynamics simulation analysis confirmed the stability of tinosponone and 3CL pro complex with a random mean square deviation (RMSD) value of 0.1 nm. The computer-aided drug design approach proved that the compound tinosponone from T. cordifolia is a potent inhibitor of 3CL main protease of SARS-CoV-2. Further, the in vitro and in vivo-based testing will be required to confirm its inhibitory effect on SARS-CoV-2.Communicated by Ramaswamy H. Sarma.


Subject(s)
COVID-19 , Tinospora , Humans , Molecular Docking Simulation , Molecular Dynamics Simulation , Phytochemicals , SARS-CoV-2
15.
J Environ Manage ; 277: 111362, 2021 Jan 01.
Article in English | MEDLINE | ID: mdl-32949950

ABSTRACT

Submarine groundwater discharge (SGD) is an important process driven by marine and terrestrial forces. Low tide affects SGD the most, therefore the ideal time to detect SGD is the low tide, especially during spring tide. Techniques to detect and quantify SGD along with the understanding of the related aquifer characteristics is discussed in this study. Scientific community across the world is realizing the importance of studying and mapping SGD because in the scenario of climate change, this part of the global hydrological cycle is an important process and is known to have a significant effect on the marine ecosystem due to nutrient and metal inputs around the region of discharge. Therefore, understanding the processes governing SGD becomes very important. In this review, various components and processes related to SGD (e.g. Submarine Groundwater Recharge, Deep Porewater Upwelling, Recirculated Saline Groundwater Discharge), along with detailed discussion on impacts of SGD for marine ecosystem is presented. Also, it highlights the future research direction and emphasis is put on more research to be done keeping in mind the changing climate and its impacts on SGD.


Subject(s)
Ecosystem , Groundwater , Environmental Monitoring , Seawater , Ships
16.
Chemosphere ; 263: 127907, 2021 Jan.
Article in English | MEDLINE | ID: mdl-32835972

ABSTRACT

Electrocoagulation (EC) process is found as effective water and wastewater treatment method, as it can able to remove a variety of pollutants, treat various industrial wastewater, and able to handle fluctuations in pollutant quality and quantity. The performance of EC process can be improved significantly in combination with degradation processes. Different combinations of EC process with Fenton, electro-Fenton, photo-Fenton, photocatalysis, sonochemical treatment, ozonation, indirect electrochemical oxidation, anodic oxidation and sulfate radical based advanced oxidation process are found very effective for the treatment of water and wastewater. Enhanced performance of EC process in combination with degradation process was reported in most of the articles.


Subject(s)
Waste Disposal, Fluid/methods , Wastewater/chemistry , Water Pollutants, Chemical/analysis , Electrocoagulation , Electrodes , Hydrogen Peroxide , Oxidation-Reduction , Sulfates , Water
17.
Mar Pollut Bull ; 162: 111767, 2021 Jan.
Article in English | MEDLINE | ID: mdl-33172621

ABSTRACT

The nutrient discharge associated with submarine groundwater discharge (SGD) into the Arabian Sea has been investigated for the first time using the Radon isotope (222Rn) mass balance model at three sites along the southwest coast of India. The SGD flux varied in the range of 49.48×104 - 335.84×104 m3/day, with high (low) discharge during the low (high) tide. SGD delivers a considerable amount of the nutrient into the Arabian Sea with 2.10×104 to 11.66×104 mol/day dissolved inorganic nitrogen (DIN), 1.23×102 to 56.31×102 mol/day dissolved inorganic phosphate (DIP), and 7.28×104 to 24.44×104 mol/day dissolved silicate (DSi). This significant nutrient input to the coastal waters through SGD is mainly attributed to the land-use practices like agricultural activities, improper waste disposal, and thickly populated coastal settlement zones. The increase in the nutrient discharge may lead to phytoplankton bloom in the nearshore environment and can accelerate seasonal coastal hypoxia over the western Indian shelf. This evidence of considerably high nutrient flux through SGD advocates the importance of understanding SGD associated flux along the southwest coast of India to maintain a sustainable ecological balance.


Subject(s)
Groundwater , Seawater , Environmental Monitoring , India , Nutrients
18.
Sci Rep ; 10(1): 17927, 2020 Oct 21.
Article in English | MEDLINE | ID: mdl-33087736

ABSTRACT

We present GPS velocities in Kashmir valley and adjoining regions from continuous Global Positioning System (cGPS) network during 2008 to 2019. Results indicate total arc normal shortening rates of ~ 14 mm/year across this transect of Himalaya that is comparable to the rates of ~ 10 to 20 mm/year reported else-where in the 2500 km Himalaya Arc. For the first time in Himalayas, arc-parallel extension rate of ~ 7 mm/year was recorded in the Kashmir valley, pointing to oblique deformation. Inverse modeling of the contemporary deformation rates in Kashmir valley indicate oblique slip of ~ 16 mm/year along the decollement with locking depth of ~ 15 km and width of ~ 145 km. This result is consistent with the recorded micro-seismicity and low velocity layer at a depth of 12 to 16 km beneath the Kashmir valley obtained from collocated broadband seismic network. Geodetic strain rates are consistent with the dislocation model and micro-seismic activity, with high strain accumulation (~ 7e-08 maximum compression) to the north of Kashmir valley and south of Zanskar ranges. Assuming the stored energy was fully released during 1555 earthquake, high geodetic strain rate since then and observed micro-seismicity point to probable future large earthquakes of Mw ~ 7.7 in Kashmir seismic gap.

19.
Inform Med Unlocked ; 19: 100345, 2020.
Article in English | MEDLINE | ID: mdl-32395606

ABSTRACT

The aim of this study was to develop an appropriate anti-viral drug against the SARS-CoV-2 virus. An immediately qualifying strategy would be to use existing powerful drugs from various virus treatments. The strategy in virtual screening of antiviral databases for possible therapeutic effect would be to identify promising drug molecules, as there is currently no vaccine or treatment approved against COVID-19. Targeting the main protease (pdb id: 6LU7) is gaining importance in anti-CoV drug design. In this conceptual context, an attempt has been made to suggest an in silico computational relationship between US-FDA approved drugs, plant-derived natural drugs, and Coronavirus main protease (6LU7) protein. The evaluation of results was made based on Glide (Schrödinger) dock score. Out of 62 screened compounds, the best docking scores with the targets were found for compounds: lopinavir, amodiaquine, and theaflavin digallate (TFDG). Molecular dynamic (MD) simulation study was also performed for 20 ns to confirm the stability behaviour of the main protease and inhibitor complexes. The MD simulation study validated the stability of three compounds in the protein binding pocket as potent binders.

20.
Chemosphere ; 251: 126437, 2020 Jul.
Article in English | MEDLINE | ID: mdl-32171129

ABSTRACT

Treatment of mixed industrial wastewater is a challenging task due to its high complexity. This work scrutinizes the electrochemical treatment of mixed industrial wastewater, specifically electrocoagulation and indirect electrochemical oxidation processes through COD and color removal studies. Both processes are found to be more efficient at the wastewater pH. Monopolar connection was found more effective than bipolar connection for the removal of COD and color from wastewater. The monopolar connection removed COD up to 55% and color 56% whereas bipolar connection leads to the removal of 43% and 48% respectively at wastewater pH with an applied voltage 1.5 V in the course of 1 h of electrolysis. In the case of indirect electrochemical oxidation process using graphite electrodes, the COD and color abatement efficiencies of the indirect electrochemical oxidation process were found as 55% and 99.8%, respectively within 1 h of electrolysis conducted at pH 7.7, applied voltage 4 V, and NaCl concentration 1 g L-1. This work also highlights the importance of the presence of electrolytes in the indirect electrochemical oxidation process as the external addition of sodium chloride significantly enhanced both COD and color elimination efficiency.


Subject(s)
Waste Disposal, Fluid , Color , Electrocoagulation , Electrodes , Electrolysis , Graphite , Industrial Waste/analysis , Oxidation-Reduction , Wastewater
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