Cited By (per year )

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All Since 2017
Citations 950 950
h-index 26 26
i10-index 30 30

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RPG Interface Lab Projects

Published Projects

01.  Food loss and waste valorization offers a sustainable source of biopolymers in bioinks for 3D printing

ABSTRACT

Abstract:Food loss and waste (FLW) valorization remains challenging due to mixed properties and composition arising from seasonal and regional variations in food production. Here we examine the capacities of 3D printing for valorizing FLW streams, with a focus on FLW-based bioinks. We consider how waste management practices, 3D printing technology and emerging FLW valorization techniques could address challenges concerning raw material sourcing, improved material printability and suitable mechanical properties. Bioink ingredients incorporating biologically active compounds derived from FLW streams could offer tailored functionalities, supporting food preservation and economic, health and environmental sustainability benefits in line with the Sustainable Development Goals.

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02. Machine learning-driven optimization of biphasic pretreatment conditions for enhanced lignocellulosic biomass fractionation

ABSTRACT

Abstract:Biphasic pretreatment efficiently fractionates lignocellulosic biomass (LCB) and holds significant potential for industrial applications. While various studies have explored parameters to improve its efficiency, the lack of an optimal framework to balance these factors restricts scalability and compromises cost-effectiveness. This study introduces a machine learning (ML) model to optimize biphasic pretreatment conditions for LCB fractionation. By leveraging ML’s capacity to uncover intricate relationships within extensive datasets, we conducted a comprehensive analysis incorporating key parameters. Feature importance analysis highlighted the critical influence of these parameters on cellulose degradation, hemicellulose removal, and delignification. The Gradient Boosted Regression (GBR) model outperformed others, achieving robust predictive metrics with R2 values from 0.71 to 0.94 and demonstrating lower error levels (RMSE: 5.27–9.51; MAE: 3.73–7.49) compared to other models during validation. Solid loading and temperature were identified as the most influential factors, contributing 23.7 % and 21.3 % to cellulose degradation, respectively. For hemicellulose removal, solid loading accounted for 41.8 %, while temperature contributed 25.3 % to delignification. The GBR-based optimization achieved 10.7 % cellulose degradation, 98.9 % hemicellulose removal, and 91.2 % delignification, with relative errors of 5.6 %, −6.8 %, and −2.2 % upon experimental validation. This ML model can revolutionize optimizing processing conditions for LCB fractionation, significantly reducing experimental time and costs while enhancing bioenergy production efficiency.

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03. Transformative biorefinery model for biomass valorization into biofuel and renewable platform chemicals

ABSTRACT

Abstract:The increasing demand for sustainable energy solutions necessitates innovative approaches to biomass utilization. This study introduces a comprehensive biorefinery model that valorizes poplar biomass into high-value products, including ethanol, furfural, phenol, and biochar. These products not only serve as promising sources for biofuel and renewable chemicals but also contribute to pollution mitigation. The approach employs a biphasic pretreatment system utilizing p-toluenesulfonic acid, pentanol, and AlCl3 under optimized conditions (120 °C for 45 min), achieving remarkable efficiencies of 95.8% xylan removal, 90.2% delignification, and 90.7% glucan recovery. The underlying mechanism, elucidated through density functional theory, demonstrates how the disruption of lignin-carbohydrate complexes via electrostatic and hydrogen-bonding interactions enhances product yields. The cellulose-rich substrate yielded 71.3 g/L ethanol, while solubilized xylan converted to 86.7% furfural without additional acid. Furthermore, lignin pyrolysis produced bio-oil containing over 45.2% phenolic compounds, while biochar demonstrated significant adsorptive capacity for perfluorooctanoic acid. Scaling this biorefinery model to process 140 million tons of poplar biomass annually reduces CO2 emissions by 75.3 million tons and provides socioeconomic savings of $17.3 billion, supporting sustainable industrial transformation.

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04. Quantum Mechanical Insights into Lignocellulosic Biomass Fractionation through an NaOH-Catalyzed Triton-X 100 System: In Vitro and In Silico Approaches

ABSTRACT

Abstract:Despite the notable efficacy of the NaOH-catalyzed Triton-X 100 system in fractionating lignocellulosic biomass (LCB), a significant gap remains in understanding the mechanistic pathways that drive this process. This study uses a dual-faceted approach, combining laboratory experiments with computational simulations to elucidate the mechanisms of delignification and lignin-carbohydrate complex (LCC) disruption. Under optimized conditions, both cellulose and hemicellulose recoveries reached around 88.5%, with delignification attaining an impressive 92.3%. Substantial changes in the physicochemical properties of the pretreated substrates were observed, including the removal of lignin and LCC-associated linkages, an enhanced crystallinity index (1.2–1.9 times), and an increase in surface area (1.2–1.4 times) compared to controls.This pretreatment system also facilitated frequent lignin depolymerization, leading to pronounced dissolution of syringyl and ferulate units. Furthermore, mechanical analyses demonstrated that this system promoted the highest interaction energy formations during LCB fractionation compared to individual NaOH or Triton-X 100 treatments alone.

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05. The State-of-the-Art on Exploring Polysaccharide-Protein Interactions and Its Mechanisms, Stability, and Their Role in Food Systems

ABSTRACT

Abstract:The compatibility and assembly of dietary soft matter components are crucial in enhancing food products’ stability, nutrition, texture, flavor, and shelf life. This review emphasizes the importance of these interactions, particularly in natural polymers like polysaccharides and proteins, due to their biodegradability, versatility, and sensory contributions. The structural behavior of these polymers exhibits consolable interactions or phase separation depending on molecular arrangements, which is pivotal in determining the microstructure of food matrices. The delicate balance between attractive and repulsive forces facilitates effective self-assembly processes, while weak interactions enable essential structural adaptations. Conversely, excessive intermolecular forces or restricted molecular dynamics can result in functional instability, such as phase separation or structural collapse. This review provides an indepth examination of physical and chemical methodologies to investigate the compatibility and interactions of dietary soft matter components. Techniques such as phase modeling, turbidity analysis, microscopy, thermal analysis, rheology, and spectroscopy are employed to evaluate these materials’ suitability and assembly characteristics. By analyzing these methodologies, the review emphasizes the importance of understanding soft matter interactions for developing functional food products with improved performance and stability. Furthermore, it identifies the current challenges and limitations, offering insights into future directions for advancing food science and technology.

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06. Harnessing the potential of biphasic solvent systems in lignocellulosic biomass fractionation through computational insights

ABSTRACT

Abstract:Biphasic solvent systems have emerged as a transformative approach for the efficient fractionation of lignocellulosic biomass (LCB), driving substantial progress in biofuel and biochemical production. By precisely partitioning lignin into the organic phase and hemicellulose into the aqueous phase while maintaining cellulose within the solid fraction, biphasic systems present a sophisticated and integrative strategy for LCB processing. This dual-phase approach achieves superior product separation and significantly enhances economic viability through the recyclability of solvents and catalysts. Several biphasic systems, including those employing 2-methyltetrahydrofuran, immiscible alcohol-based systems (butanol, pentanol, and phenoxyethanol), and ketones (Methyl isobutyl ketone), have been developed for LCB fractionation. Among these, immiscible alcohol-based systems have emerged as the most effective, demonstrating the ability to minimize cellulose degradation (1.0–30.0%) while optimizing the removal of hemicellulose (80.0–98.0%) and lignin (65.0–92.0%).

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07. Machine learning-driven optimization of pretreatment and enzymatic hydrolysis of sugarcane bagasse: Analytical insights for industrial scale-up

ABSTRACT
Abstract:The conversion of sugarcane bagasse (SCB) into fermentable sugars via pretreatment and enzymatic hydrolysis is a promising pathway for biomass valorization. However, the process’s complexity and variable optimization have limited its efficiency. This study introduces an orthogonal experimental design (OED) combined with machine learning (ML) to optimize NaOH-catalyzed Triton-X 100 pretreatment and enzymatic hydrolysis. The optimal pretreatment conditions identified through rule-based ML modeling (100 g/L solid loading, 45 g/L NaOH, 13.8 pH, 200 mL Triton-X 100, 175 °C, and 45 min) resulted in cellulose and hemicellulose recoveries of 88.5 % and 81.8 %, respectively, and a delignification of 92.3 %. The relative errors from experimental validation were 1.42 %, 0.56 %, and 3.55 % for these metrics, respectively. In the enzymatic hydrolysis (50 g/L substrate loading, 6 FPU/g enzyme loading, and 72 h hydrolysis), glucose and xylose yields reached 84.3 % and 63.3 %, with relative experimental validation errors of 1.11 % and 2.26 %, respectively. Key factors included time (26.2 % contribution to cellulose recovery), temperature (37.5 % to hemicellulose recovery), and solid loading (19.6 % to delignification).

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08. Role of in situ surfactant modification of lignin structure and surface properties during glycerol pretreatment in modulating cellulase-lignin binding affinities

ABSTRACT
Abstract: Surfactants are effective agents for enhancing lignocellulosic pretreatment, synergistically modifying lignin with polyols to improve substrate hydrolyzability while achieving comparable delignification. However, the mechanisms underlying the multiple modifications from dual in situ surfactant/polyols grafting that passivate lignin-cellulase interactions and their core affecting factors remain unclear. Following the previously developed polyethylene glycol (PEG) and Triton-assisted pretreatment, the intrinsic correlation among lignin structures, physical barriers, and cellulase interactions was analyzed in this study. The surfactant grafting onto lignin can significantly decrease non-productive cellulase adsorption by 5–59 % compared to the initial glycerol-modified lignin. Structurally, the changes in lignin aliphatic –OH (r > 0.93), H–OH (r > 0.98), and G–OH (r > 0.74) showed strong correlations with cellulase adsorption; the –COOH and C=O were not well-valiadted for assessing the non-productive interaction. Physically, surfactant modification also induced changes in lignin surface structure, with variations in specific surface area, pore size, and pore volume showing positive correlations (r > 0.71).

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09. In-depth recognition of mixed surfactants maintaining the enzymatic activity of cellulases through stabilization of their spatial structures

ABSTRACT
Abstract: Mixed surfactants improve the enzymatic hydrolysis of lignocellulosic substrates by enhancing cellulase stability against heat, pH, shear, and air–liquid interface stress. Under conditions of multiple factorial stresses (50 °C, pH 4.8, 180 rpm, and 15.5 cm2 air–liquid interface), cellulase with ternary surfactants (Tween 60/Triton X-114/CTAB, the molar ratio 14:5.5:1) retained 84 % of its activity after 48 h of incubation, representing 1.15 and 1.29 folds that of the cellulase activity with the single Tween 60 and with no surfactants, respectively. This is attributed to the fact that ternary surfactants possess better rheology modulation and air–liquid interface competitiveness.

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10. Unveiling the mechanisms of mixed surfactant synergy in passivating lignin-cellulase interactions during lignocellulosic saccharification

ABSTRACTenzymatic hydrolysis of lignocellulosic biomass
Abstract: Surfactants can synergistically enhance the enzymatic hydrolysis of lignocellulosic biomass, achieving higher sugar yields at lower enzyme loading. However, the exact mechanism by which mixed surfactants passivate lignin-cellulase interactions is not fully understood. This study found that the combination of ternary non-ionic and cationic surfactants (Tween 60, Triton X-114, and CTAB) significantly reduced the non-productive adsorption of lignin, with decreases of 35.4 %−55.4 % in equilibrium adsorption (We, 23.2 mg/g) compared to the single surfactant and the control

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11. The experimental significance of isorhamnetin as an effective therapeutic option for cancer: A comprehensive analysis

ABSTRACTisorhamnetin
Abstract: Isorhamnetin (C16H12O7), a 3′-O-methylated derivative of quercetin from the class of flavonoids, is predominantly present in the leaves and fruits of several plants, many of which have traditionally been employed as remedies due to its diverse therapeutic activities. The objective of this in-depth analysis is to concentrate on Isorhamnetin by addressing its molecular insights as an effective anticancer compound and its synergistic activity with other anticancer drugs

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12. Unraveling the mechanisms underlying lignin and xylan dissolution in recyclable biphasic catalytic systems

ABSTRACT
Abstract: Despite the exceptional performance of recyclable biphasic pretreatment systems (i.e., p-toluenesulfonic acid (TsOH)/pentanol, H2SO4/butanol, and AlCl3/MTHF) in the holistic fractionation of lignocellulosic biomass (LCB), there remains a significant gap in understanding of the intricate mechanisms governing the rapid dissolution of lignin and xylan from LCB. This study conducts comparative analyses using laboratory experiments and computational simulations to gain insights into the mechanism behind removing lignin and xylan in these systems. Under identical pretreatment conditions (140 °C, 45 min), three systems exhibited distinct levels of delignification and xylan removal. TsOH/pentanol showcased the highest levels of both delignification (83.3%) and xylan removal (98.1%), followed by H2SO4/butanol (77.9% delignification and 83.0% xylan removal), and AlCl3/MTHF (73.5% delignification and 97.2% xylan removal). Lignin characterization revealed that TsOH/pentanol and AlCl3/MTHF lignin samples boasted well-preserved β-O-4 bonds (42.4/100 Ar, 40.4/100 Ar, respectively), uniform molecular weights, and <1% sugar content.

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13. New trends in microbial lipid-based biorefinery for fermentative bioenergy production from lignocellulosic biomass

ABSTRACT
Abstract: Using oleaginous microbial lipid-based biorefinery from lignocellulosic biomass (LCB) to produce fermentative bioenergy (i.e., biodiesel) represents an innovative second-generation fuel production technology. These lipids are predominantly intracellular triglycerides that accumulate through the metabolism of sugars in fermentation following pretreatment and enzymatic hydrolysis of LCB. This review investigates the recent advances in the microbial lipid production from LCB, focusing on the factors influencing the lead microbial lipid producers, different pretreatment methods (i.e., physical, chemical, biological, and combined pretreatment), enzymatic hydrolysis approaches, novel bioprocessing strategies (i.e., microbes-specific and fermentation model specific), and engineering techniques of the oleaginous microbes (i.e., genetic and metabolic alterations). The study demonstrates that oleaginous yeasts can synthesize significantly higher quantities of lipids when incorporated into the system, known as separated hydrolysis and lipid production, following various combined pretreatment methods. Interestingly, CRISPR is found to be the most suitable way of engineering microbes genetically and metabolically for increased lipid synthesis.

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14. WGS-based screening of the co-chaperone protein DjlA-induced curved DNA binding protein A (CbpA) from a new multidrug-resistant zoonotic mastitis-causing Klebsiella pneumoniae strain: a novel molecular target of selective flavonoids

ABSTRACT
Objective: The research aimed to establish a multidrug-resistant Klebsiella pneumoniae-induced genetic model for mastitis considering the alternative mechanisms of the DjlA-mediated CbpA protein regulation. The Whole Genome Sequencing of the newly isolated K. pneumoniae strain was conducted to annotate the frequently occurring antibiotic resistance and virulence factors following PCR and MALDI-TOF mass-spectrophotometry. Co-chaperon DjlA was identified and extracted via restriction digestion on PAGE. Based on the molecular string property analysis of different DnaJ and DnaK type genes, CbpA was identified to be regulated most by the DjlA protein during mastitis. Based on the quantum tunnel-cluster profiles, CbpA was modeled as a novel target for diversified biosynthetic, and chemosynthetic compounds.

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15. Target-specificity of different amyrin subunits in impeding HCV influx mechanism inside the human cells considering the quantum tunnel profiles and molecular strings of the CD81 receptor: a combined in silico and in vivo study

ABSTRACT
Objective: HCV is a hepatotropic RNA virus recognized for its frequent virulence and fatality worldwide. Despite many vaccine development programs underway, researchers are on a quest for natural bioactive compounds due to their multivalent efficiencies against viral infections, considering which the current research aimed to figure out the target-specificity and therapeutic potentiality of a, ß, and d subunits of amyrin, as novel bioactive components against the HCV influx mechanism. Initially, the novelty of amyrin subunits was conducted from 203 pharmacophores, comparing their in-silico pharmacokinetic and pharmacodynamic profiles. Besides, the best active site of CD81 was determined following the quantum tunneling algorithm. The molecular dynamic simulation was conducted (100 ns) following the molecular docking steps to reveal the parameters- RMSD (Å); Ca; RMSF (Å); MolSA (Å2); Rg (nm); PSA (Å); SASA (Å2), and the MM-GBSA dG binding scores. Besides, molecular strings of CD81, along with the co-expressed genes, were classified, as responsible for encoding CD81-mediated protein clusters during HCV infection, resulting in the potentiality of amyrins as targeted prophylactics in HCV infection.

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16. Oncoinformatic screening of the gene clusters involved in the HER2-positive breast cancer formation along with the in silico pharmacodynamic profiling of selective long-chain omega-3 fatty acids as the metastatic antagonists

ABSTRACT
The HER2-positive patients occupy?~?30% of the total breast cancer patients globally where no prevalent drugs are available to mitigate the frequent metastasis clinically except lapatinib and neratinib. This scarcity reinforced researchers’ quest for new medications where natural substances are significantly considered. Valuing the aforementioned issues, this research aimed to study the ERBB2-mediated string networks that work behind the HER2-positive breast cancer formation regarding co-expression, gene regulation, GAMA-receptor-signaling pathway, cellular polarization, and signal inhibition. Following the overexpression, promotor methylation, and survivability profiles of ERBB2, the super docking position of HER2 was identified using the quantum tunneling algorithm. Supramolecular docking was conducted to study the target specificity of EPA and DHA fatty acids followed by a comprehensive molecular dynamic simulation (100 ns) to reveal the RMSD, RMSF, Rg, SASA, H-bonds, and MM/GBSA values.

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17. Target specificity of selective bioactive compounds in blocking a-dystroglycan receptor to suppress Lassa virus infection: an in silico approach

ABSTRACT

Lassa hemorrhagic fever, caused by Lassa mammarenavirus (LASV) infection, accumulates up to 5000 deaths every year. Currently, there is no vaccine available to combat this disease. In this study, a library of 200 bioactive compounds was virtually screened to study their drug-likeness with the capacity to block the a-dystroglycan (a-DG) receptor and prevent LASV influx. Following rigorous absorption, distribution, metabolism, and excretion (ADME) and quantitative structure-activity relationship (QSAR) profiling, molecular docking was conducted with the top ligands against the a-DG receptor. The compounds chrysin, reticuline, and 3-caffeoylshikimic acid emerged as the top three ligands in terms of binding affinity. Post-docking analysis revealed that interactions with Arg76, Asn224, Ser259, and Lys302 amino acid residues of the receptor protein were important for the optimum binding affinity of ligands.

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18. In ovo inoculation of duck embryos with different strains of Bacillus cereus to analyse their synergistic post-hatch anti-allergic potentialities

ABSTRACT

Background: Bacillus cereus is a Gram-positive, facultative anaerobic bacteria with few strains reported to be used as probiotics for animals and birds in recent times if the doses are formulated properly.

Objectives: To analyse the synergistic anti-allergic potentiality of different Bacillus cereus strains on experimental in ovo and in vitro duck model, as probiotic immune stimulant.

Materials and methods: Different strains of Bacillus cereus from 29 isolates were identifiedthrough 16S rRNA gene sequencing from the milk samples of buffalo breeds of South Asia. The probiotic properties were tested in aspects of gram staining, catalase test, coagulase, test, bile salt tolerance, pH tolerance and phenol tolerance test.

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19. Molecular identification of a Bacillus cereus strain from Murrah buffalo milk showed in vitro bioremediation properties on selective heavy metals

ABSTRACT

Objective:

This study aims for molecular identification of naturally growing Bacillus cereus strain from a unique source, able to survive, and alleviate heavy metals from the nature.

Materials and Methods:

Pure isolate from Murrah buffalo milk was prepared in B. cereus selective Polymyxin pyruvate egg-yolk mannitol–bromothymol blue agar (PEMBA) medium through a cascade of contamination free subcultures. The morphological and biochemical tests were done prior to 16S rRNA gene sequencing for strain identification and further physiological tests. The test strain was inoculated in both solid and suspension culture medium supplemented individually with Cd, Cu, Ag, and Zn to reveal the qualitative and quantitative heavy metal tolerance properties, respectively. Finally, the data collected from the in vitro assessment was statistically analyzed.

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20. Molecular optimization, docking, and dynamic simulation profiling of selective aromatic phytochemical ligands in blocking the SARS-CoV-2 S protein attachment to ACE2 receptor: an in silico approach of targeted drug designing

ABSTRACT
The comprehensive in silico study aims to figure out the most effective aromatic phytochemical ligands among a number from a library, considering their pharmacokinetic efficacies in blocking “angiotensin-converting enzyme 2 (ACE2) receptor–severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) S protein” complex formation as part of a target-specific drug designing. A library of 57 aromatic pharmacophore phytochemical ligands was prepared from where the top five ligands depending on Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) and quantitative structure-activity relationship (QSAR)-based pharmacokinetic properties were considered. The selected ligands were optimized for commencing molecular docking and dynamic simulation as a complex with the ACE2 receptor to compare their blocking efficacy with the control drug. The ligand–receptor complexes’ accuracy in preventing the Spike (S) protein of SARS-CoV-2 penetration inside the host cells has been analyzed through hydrogen–hydrophobic bond interactions, principal component analysis (PCA), root mean square deviation (RMSD), root mean square fluctuation (RMSF), and B-Factor. Advanced in silico programming language and bioanalytical software were used for high throughput and authentic results.

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21. A Comprehensive Analysis and Anti-Cancer Activities of Quercetin in ROS-Mediated Cancer and Cancer Stem Cells

ABSTRACT
Reactive oxygen species (ROS) induce carcinogenesis by causing genetic mutations, activating oncogenes, and increasing oxidative stress, all of which affect cell proliferation, survival, and apoptosis. When compared to normal cells, cancer cells have higher levels of ROS, and they are responsible for the maintenance of the cancer phenotype; this unique feature in cancer cells may, therefore, be exploited for targeted therapy. Quercetin (QC), a plant-derived bioflavonoid, is known for its ROS scavenging properties and was recently discovered to have various antitumor properties in a variety of solid tumors. Adaptive stress responses may be induced by persistent ROS stress, allowing cancer cells to survive with high levels of ROS while maintaining cellular viability. However, large amounts of ROS make cancer cells extremely susceptible to quercetin, one of the most available dietary flavonoids. Because of the molecular and metabolic distinctions between malignant and normal cells, targeting ROS metabolism might help overcome medication resistance and achieve therapeutic selectivity while having little or no effect on normal cells. The powerful bioactivity and modulatory role of quercetin has prompted extensive research into the chemical, which has identified a number of pathways that potentially work together to prevent cancer, alongside, QC has a great number of evidences to use as a therapeutic agent in cancer stem cells.

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22. ANTIVIRAL EFFECTS OF BACTERIOCIN AGAINST ANIMAL-TO-HUMAN TRANSMITTABLE MUTATED SARS-COV-2: A SYSTEMATIC REVIEW

ABSTRACT
The COVID-19 infections caused by SARS-CoV-2 have resulted in millions of people being infected and thousands of deaths globally since November 2019. To date, no unique therapeutic agent has been developed to slow the progression of this pandemic. Despite possessing antiviral traits the potential of bacteriocins to combat SARS-CoV-2 infection has not been fully investigated. This review summarizes the mechanisms by which bacteriocins can be manipulated and implemented as effective virus entry blockers with infection suppression potential properties to highly transmissible viruses through comprehensive immune modulations that are potentially effective against COVID-19. These antimicrobial peptides have been suggested as effective antiviral therapeutics and therapeutic supplements to prevent rapid virus transmission.

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23. Employment-related musculoskeletal complications experienced by the physical therapists in Bangladesh: a comprehensive cross-sectional case study

ABSTRACT
Dentists, nurses, and physical therapists have all been associated with an increased risk of work-related diseases. The findings of studies in these different occupations might aid in the development of preventative measures. In Bangladesh, however, no comparable evidence has been recorded among physical therapists. The study’s goal was to find out the prevalence of work-related physical problems at different anatomical locations, as well as the link between these disorders and treatment strategies across Bangladeshi physical therapists. A physical and online survey of Bangladeshi physical therapists was done. A total of 300 questionnaires were given out, with work-related discomfort or pain detected in nine locations of the body: (1) neck, (2) shoulder, (3) elbow, (4) wrists, (5) upper back, (6) lumbar, (7) thighs, (8) knee, and (9) ankle. 85.5% of Bangladeshi physical therapists suffer musculoskeletal problems, according to the results of this research. The neck (25.7%), lower back (15.2%), elbow (12.3%), ankle (8.6%), and shoulder (8.6%) were the most often affected locations (7.1%). Upper back (3.0%) and hips (2.2%) ailments had the lowest prevalence.

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24. Catabolic profiling of selective enzymes in the saccharification of non-food lignocellulose parts of biomass into functional edible sugars and bioenergy: An in silico bioprospecting

ABSTRACT
The research aims to analyze the catabolic strength of different hydrolytic enzymes in assessing the biological conversion potential of lignocellulose parts of agricultural biomass wastes into functional edible sugars and biofuels. The enzymes’ hydrolytic properties—versatile peroxidase, manganese peroxidase, and lignin peroxidase were used to identify their complexing strength with the lignin substrate, whereas endoglucanase cel12A, acidocaldarius cellulase, and Melanocarpus albomyces endoglucanase were tested on the cellulose gel substrate. Because the biodegradation properties are heavily influenced by the “enzyme-substrate complexing energy level,” proper molecular optimization and energy minimization of the enzymes and substrates were carried out, as well as the identification of the enzyme’s active sites prior to complexing.comprehensive molecular dynamic simulation was run to study their—alpha carbon, root-mean-square deviation (Å), molecular surface area (Å2), root-mean-square fluctuation (Å), radius of gyration (nm), hydrogen bonds with hydrophobic interactions, and solvent accessible surface area (Å2) values for 50 ns. The simulated data mining was conducted using advanced programming algorithms to establish the final enzyme-substrate complexing strength in binding and catalysis.

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25. Point-specific interactions of isovitexin with the neighboring amino acid residues of the hACE2 receptor as a targeted therapeutic agent in suppressing the SARS-CoV-2 influx mechanism

ABSTRACT
Despite the development of several vaccines against severe acute respiratory syndrome coronavirus-2, the need for an additional prophylactic agent is evident. In recent in silico studies, isovitexin exhibited a higher binding affinity against the human angiotensin converting-enzyme 2 (hACE2) receptor than existing antiviral drugs. The research aimed to find out the point specificity of isovitexin for the hACE2 receptor and to assess its therapeutic potential, depending on the stability of the isovitexin–hACE2 complex. The pharmacokinetic profile of isovitexin was analyzed. The crystal structure of the hACE2 receptor and the ligand isovitexin were docked to form a ligand–protein complex following molecular optimization. To determine the isovitexin–hACE2 complex stability, their binding affinity, hydrogen bonding, and hydrophobic interactions were studied. Lastly, the root mean square deviation (RMSD), root mean square fluctuation, solvent accessible surface area, molecular surface area, radius of gyration (Rg), polar surface area, and principal component analysis values were found by simulating the complex with molecular dynamic (MD).

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26. Quantitative analysis of the factors influencing IDA and TSH downregulation in correlation to the fluctuation of activated vitamin D3 in women

ABSTRACT
Anemia and thyroid disorders are global health issues that affect all ages but are more apparent in women. In this case, some serological components responsible for iron deficiency anemia (IDA) and thyroid-stimulating hormone (TSH) downregulation in women have been found actively regulated through a complex vitamin D3 mediated mechanism. This research has been investigated the correlation between activated vitamin D3 and the serological components responsible for IDA and dysregulation of TSH in childbearing and non-child-bearing women of different health conditions. Experimental sampling from 482 women suffering from both IDA and TSH dysregulation was taken, aged between 0 and 70 years. Serological parameters, such as iron, total ironbinding capacity, and ferritin, were assessed for IDA profiling, whereas thyroid-stimulating hormone and free thyroxin were for TSH profiling based on the individual’s serum vitamin D3 concentration. The resulting serological data were interpreted using sophisticated computer programming language and algorithms for quantitative biochemical analysis. The study resulted in a significant correlation between FT4 and vitamin D3 (p < 0.0001) for all age groups. TSH also showed strong interactions with the fluctuation of vitamin D3 levels (p < 0.0001), except for the children aged below 10 years (p < 0.063). The iron, TIBC, TSH, and FT4 showed phenomenal regulation with the steroidal-vitamin D3 concentration for congenital patients

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27. Active site-specific quantum tunneling of hACE2 receptor to assess its complexing poses with selective bioactive compounds in co-suppressing SARS-CoV-2 influx and subsequent cardiac injury

ABSTRACT
This research aims to study the target specificity of selective bioactive compounds in complexing with the human angiotensin-converting enzyme (hACE2) receptor to impede the severe acute respiratory syndrome coronavirus 2 influx mechanism resulting in cardiac injury and depending on the receptor’s active site properties and quantum tunneling. A library of 120 phytochemical ligands was prepared, from which 5 were selected considering their absorption, distribution, metabolism, and excretion (ADMET) and quantitative structure–activity relationship (QSAR) profiles. The protein active sites and belonging quantum tunnels were defined to conduct supramolecular docking of the aforementioned ligands. The hydrogen bond formation and hydrophobic interactions between the ligand–receptor complexes were studied following the molecular docking steps. A comprehensive molecular dynamic simulation (MDS) was conducted for each of the ligand–receptor complexes to figure out the values – root mean square deviation (RMSD) (Å), root mean square fluctuation (RMSF) (Å), H-bonds, Cα, solvent accessible surface area (SASA) (Å2), molecular surface area (MolSA) (Å2), Rg (nm), and polar surface area (PSA) (Å). Finally, computational programming and algorithms were used to interpret the dynamic simulation outputs into their graphical quantitative forms.

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28. An experimental analysis of different point specific musculoskeletal pain among selected adolescent-club cricketers in Dhaka City

ABSTRACT
Introduction. Musculoskeletal disorders (MSDs) are considered to be among the most stressful events of human body considering their onset, symptoms and the ultimate consequences. Aim. This study was conducted to provide a concise overview of cricket-related musculoskeletal pain of the upper limb and lower limb region in male adolescent cricketers. Material and methods. Data was collected from three clubs in Dhaka city, and the participant’s age group was 10-19 years. Data was collected through oral conversations with participants and physical testing. This process was continued over six months, which repeated monthly between same subjects. Results. 97 cricketers experienced musculoskeletal pain, where maximum reported upper limb musculoskeletal pain was 33.3% shoulder, 21.6% elbow, 27.5% wrist, and 17.6% hand pain. In contrast, 46 candidates were found in the lower limb musculoskeletal pain category containing 19.6%, 30.4%, 30.4% and 19.6% hip joint, knee joint, ankle joint and foot joint musculoskeletal pain, respectively.

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29. The Pros and Cons of Selective Renewable Energy Technologies for Generating Electricity in the Perspective of Bangladesh: A Survey-Based Profiling of Issues

ABSTRACT
Energy consumption is the indicator of the development of a country. An adequate power supply is a prerequisite of sustainable development, where Bangladesh has been struggling. This study focuses on the technological barriers of renewable energy implementation in Bangladesh, which has salient renewable energy sources: biomass, solar power, solar photovoltaic (PV) cells, wind energy, and hydroelectricity. Despite having rich renewable energy resources, the country still depends on its gas and oil reserve for power generation. The geographic significance of installing new sustainable technologies like wind power and biomass power plants has been studied in this research. Besides, to profile the socio-economic barriers provoking behind the insurance of renewable energy sources for the mass population, a comprehensive survey was conducted with 200 individuals, including 50 experts on renewable energy research.

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30. Original Article Effect of physical exercise and routine intervals on LBP assessment using VAS, OLBPDQ, and RMQ among professional motorbike riders in Dhaka city

ABSTRACT
Low back pain (LBP) issues have become very acute in the health status of Dhaka City motorbike riders. As per the ergonomic study, a routine interval and therapeutic exercise especially stretching exercise has a surprising outcome that’s why a study was conducted with motorbike riders in Dhaka City. Three established parameters were used for the assessment of LBP. This research conducted aiming to assess the significance of stretching exercises and routine-intervals upon severe low back pain sufferers among the professional motorbike riders.A “quasi-experimental interventional study” conducted with some specific criteria and a 12 week summery represented by the three times assessment, where 70 participants were included among the professional motorbike riders from Dhaka City. Two groups were divided by equal number participants where either groupcandidate was prescribed complete guidance to perform in conditional intervals. Those three assessments were accessed considering parameters namely visual analog scale (VAS), oswestry low back pain disability questionnaire (OLBPDQ), and roland morris questionnaire (RMQ).The results of this study reflect the significant analysis between stretching exercises, routine-intervals and body mass index (BMI) with LBP.

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31. Molecular identification, characterization, and antagonistic activity profiling of Bacillus cereus LOCK 1002 along with the in-silico analysis of its presumptive bacteriocins

ABSTRACT

Objectives: This research aimed to isolate, identify, and characterize a new strain of Bacillus cereus through different molecular biology approaches so that it could be further studied for therapeutic purposes against selective enteric pathogens.

Materials and Methods: Pure isolates of B. cereus were prepared from buffalo yogurt samples in REMBA medium. Initially, the morphological, physiological, and biochemical properties were studied accordingly. Following the tests, the molecular identification for the strain identification was conducted through plasmid DNA extraction, PCR, agarose gel electrophoresis, and 16S rRNA sequencing up to 1.37 kb. Afterward, the antibiotic sensitivity [Epsilometer test (E-Test)] and anti fungal activity were tested considering different concentrations. Being classified from the aforementioned tests, a comprehensive antimicrobial activity test was conducted using the cell-free-su pernatant (CFS) of the test strain against selective enteric pathogens in humans in vitro

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