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SYNTHESIS AND EVALUATION OF ORGANIC FUNCTIONALISED MESOPOROUS (MCM-41) MATERIALS AS NANO-CARRIERS FOR ANTITUBERCULAR HYDRAZONE DRUG DERIVATIVES
Get PDFThe use of conventional drug delivery systems for the treatment and management of tuberculosis comes with setbacks that require the development of advanced drug delivery systems for the improved delivery of anti-tubercular agents. Mesoporous silica nanoparticles (MCM-41) have been of great interest as they possess distinctive properties that give them an edge over conventional drug delivery systems. This study focuses on the sol-gel synthesis and amino functionalisation of mesoporous silica nanoparticles via co-condensation and post-grafting methods to deliver anti-tubercular agents such as isoniazid and its metal complexes. Non-functionalised and amino functionalised MCM-41 nano-carriers were synthesised from two silica sources (tetra ethyl orthosilicate and sodium silicate) and characterized with X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) surface analysis, Fourier-transform infrared spectroscopy (FT-IR), CHNS analysis, Scanning electron microscopy (SEM), Transmission Electron Microscopy (TEM) and Thermo-gravimetric analysis (TGA). The physical and morphological properties of the drug loading and release studies of the nano-carriers synthesised from different silica sources were compared. Non-functionalised and amino functionalised nano-carriers synthesised with Tetra Ethyl Ortho Silicate were revealed to have better well-ordered pores than those synthesised using sodium silicate from their XRD analysis. The morphological characterisation of the nano-carriers using SEM showed that the surfactant removal methods (calcination and acid/ethanol extraction) affected their structural properties. Nano-carriers, Cal-MCM-41t&s + Cu-INH and Post-NH2-Cal-MCM-41t&s + Cu-INH had high drug entrapment efficiencies of 87.65%, 76.23% and 92.82%, 90.2% with loading capacities of 17.53%, 15.25% and 18.66%, 18.05%. Amino-functionalised nano-carriers were shown to improve the drug loading and entrapment efficiency of the nano-carriers. The in-vitro release study revealed a steady release rate of anti-tubercular agents INH, Cu-INH, and Fe-INH. Cal-MCM-41t&s + Cu-INH and Post-NH2-Cal-MCM-41t&s + Cu-INH released the highest amount of INH and its metal complexes. Cal-MCM-41t + Cu-INH, Post-NH2-Cal-MCM-41t + Cu-INH, Cal-MCM-41s + Cu-INH and Post-NH2-Cal-MCM-41s + Cu-INH released 30.97%, 36.43%, 41.98% and 50.82% at a pH of 7.4 while at a pH of 5.4, they released 39.54%, 47.26%, 52.82% and 66.74% respectively after 14 days. The findings showed that using non-functionalised and amino-functionalised mesoporous silica nano-carriers is a promising drug delivery system for delivering isoniazid and its metal complexes. However, other surface-functionalised MCM-41 nano-carriers should also be studied
Economic and Social Implications of Nanochitosan
Get PDFResearchers who study aquaculture have been interested in diets
supplemented with feed additives, among which chitosan and chitosan
nanoparticles are the most relevant. Chitin, a naturally occurring polymer
found in the exoskeletons of insects, crustaceans, and fungi, is converted into
the cationic biopolymer chitosan [β-(1-4)-N-acetyl-D-glucosamine] by alkaline
deacetylation. Cross-linking, either chemical or physical, was used to create
chitosan nanoparticles. Because of its wide surface area, chitosan
nanoparticles have been chosen because of their bioavailability and deep
infiltration into the target locations. The biological features of chitosan and
chitosan nanoparticles are unique and provide a range of intriguing uses.
These properties include biosafety, biocompatibility, enhanced solubility, and
biodegradability. Their described characteristics allowed their usage in a
variety of fish aquaculture applications, including boosting the immune system
and growth performance. They are also frequently used in agriculture, water
treatment, and as safe feed additives and medicine carriers. The goal of
aquaculture is to safeguard fish against illness and stress while maintaining
the steady environmental conditions necessary for their growth. Well-balanced
diets should be taken into consideration to ensure a sustained output of fish
species. This review highlights interesting applications and economic and
societal implications of chitosan and chitosan nanoparticle
Antibacterial Potential of Trihydroxycyclohexa-2,4-Diene-1- Carboxylic Acid: Insight from DFT, Molecular Docking, and Molecular Dynamic Simulation
Get PDFIn this study, (z)-5-((3-(2,3-dihydroxyphenyl) acryloyl) oxy)- 1,3,4-trihydroxycyclohexa-
2,4-diene-1-carboxylic acid (chlorogenic acid) was isolated and characterized using UVVisible,
1H NMR and 13C NMR, FT-IR, along with detailed investigation using density
functional theory (DFT), in-silico molecular docking, and molecular dynamics (MD)
simulation. Results from DFT calculation indicates that the titled compound is very
stable with energy gap of 3.7–7.8 for variable functionals, and similarly, the structural
parameters show very close agreement with X-ray data for bond lengths and angles.
The FT-IR spectrum results revealed stretching vibration O–H (3366 cm−1), C=O
(1689 cm−1), C–H (1636, 1606, 1522, and 1442 cm−1), C–O (1192 and 1122 cm−1). The
drug-likeness analyses and ADME studies showed drug-likeness ability and good oral
behavior of the investigated compound as it obeys Lipinski, Ghose, Veber and Egan
rules. Hepatotoxic and immunotoxic activities were indicated for the toxicity/toxicological
endpoints of the studied compound. The molecular docking indicates a binding affinity
of −8.30 and 9.5 kcal/mol for the titled compound, which is higher than the standard
drug. From the molecular dynamic simulation results, chlorogenic-2H14 (complex B)
revealed variations in RMSD values of less than 3Å, indicating that the protein structure
underwent minor conformational changes throughout the simulation. Chlorogenicprotein
complexes had average RGyr values of 3.704 − 4.907Å, which indicates
compaction during the simulation. Therefore, it can be said that the titled compound has
potential to be effective as an agent for cholera management, and the results obtained
can be platform further in-vitro, vivo and clinical trials
Molecular structure, spectroscopy, molecular docking, and molecular dynamic studies of tetrahydroneoprzewaquinone as potent cervical cancer agent
Get PDFCervical cancer is one of the most prevalent cancer-related diseases, causing accelerated
morbidity and mortality rates in low-income countries and African states. This study
explores the potential of (3R,3′R)-2,2′,3,3′-tetrahydroneoprzewaquinone (TDN) as a
treatment for cervical cancer by investigating its structural and molecular properties using
molecular modelling technique, which include; DFT, molecular docking, molecular dynamic
simulation. The results are promising, with TDN demonstrating exceptional stability in the
energy gap (Eg) as well as through natural bond order analysis (NBO). π → σ* electronic
transitions were found to contribute mainly to the molecule’s stability, with an outstanding
total stabilization energy (E(2)). Docking exercises showed that TDN binds more favorably to
the pro-apoptotic receptor 4s0o with a stronger H-bond compared to the conventional DOX
drug, which interacted less effectively with TDN and more strongly with the anti-apoptotic
protein, forming an outstanding strong H-bond. Molecular dynamics simulations also
revealed that TDNʼs interaction with the pro-apoptotic protein (TDN_4S0o) was more
stable than the standard DOX drug (DOX_4s0o). The H-bond plot indicated that TDN could
effectively interact with both anti and pro-apoptotic receptors, forming approximately 1 to
4 hydrogen bonds between TDN_1g5M with respect to each picosecond (ps) ranging from 0
to 1000 ps. In contrast, the number of hydrogen bonds fluctuated when DOX interacted
with the anti-apoptotic protein (1g5M), ranging from 1 to 5 H-bonds. Overall, these results
suggest that TDN may be a promising drug candidate for cervical cancer treatment
Marine Green Microalgae Biomass Production and Application
Get PDFGreen marine microalgae are an important component of marine ecosystems and have significant
ecological, economic, and nutritional importance. Efforts to mitigate the impacts of climate change and
provide more environmentally sustainable alternatives have rightfully gained traction in recent times.
Hence, green marine microalgae and its extensive uses and applications have been brought to the
forefront. These organisms play a crucial role in carbon sequestration, nutrient cycling, and
bioremediation. They can also be used to produce biofuels, bioplastics, food supplements, and highvalue
compounds such as pigments, antioxidants, and pharmaceuticals. Strategies to improve the
biomass yield of these functional organisms have been implemented, including genetic engineering,
mixotrophic cultivation, nutrient recycling, and biofilm cultivation. Studying microalgae is essential for
advancing the understanding of fundamental biological processes, promoting environmental
sustainability, developing new biotechnologies, preserving biodiversity, and improving aquaculture. The
potential benefits of microalgae research are vast and have important implications for planet and human
well-being. This chapter encapsulates the physiology, ecology, cultivation and production,
bioprocessing, and applications of microalgae, which can help harness their potential to mitigate climate
change, promote sustainable agriculture, and restore degraded ecosystems
Feed Enhancement and Nutrition
Get PDFThis study investigates the utilization of nanochitosan as a novel feed additive
in the formulation of enhanced fish nutrition. Nanochitosan, characterized by
its reduced particle size, is incorporated into fish feed to assess its impact on
fish growth, immune response, and stress tolerance. The research focuses on
the benefits derived from nanochitosan supplementation and explores the
various aspects influencing its application, including feed formulation, costeffectiveness,
scalability, and environmental impact. The nanochitosanenhanced
feed demonstrates significant improvements in fish growth,
attributed to enhanced nutrient absorption and utilization. Moreover, the
incorporation of nanochitosan contributes to an augmented immune response
in fish, leading to increased disease resistance and overall health. Stress
tolerance, a crucial factor in aquaculture, is notably enhanced through the
inclusion of nanochitosan in the feed, providing a more robust and resilient
fish population. The study explores the formulation of nanochitosanincorporated
feeds, addressing aspects such as cost-to-benefit analysis and
scalability. The report also focuses on the economic feasibility of producing
nanochitosan-enhanced feeds on a large scale and assesses the
environmental impact associated with its manufacturing and application in
aquaculture practices. Key considerations include the source and quality of
nanochitosan, nutritional composition, and digestibility of the formulated feeds.
The study emphasizes the importance of maintaining optimal concentrations
of nanochitosan in the feed, ensuring its chemical stability for sustained
efficacy. Additionally, the particle size of nanochitosan is explored in relation
to its incorporation into feed matrices, aiming to maximize bioavailability and
facilitate efficient nutrient absorption by the fish. This report signifies the
potential of nanochitosan as a promising feed additive for advancing fish
nutrition. The comprehensive investigation covers critical aspects such as
cost-effectiveness, scalability, environmental impact, and the intricate details
of feed formulation. The findings contribute valuable insights into the
application of nanochitosan in aquaculture, opening avenues for further
research and development in the pursuit of sustainable and enhanced fish
farming practices
Nanoparticle-Based Remediation and Environmental Cleanup
Get PDFThe chapter entitled “Nanoparticle-Based Remediation and Environmental
Cleanup” provides a thorough examination of the utilization of designed
nanoparticles as effective instruments in mitigating environmental pollution
and resolving contamination issues in diverse ecosystems. The chapter
commences by providing a definition of nanoparticle-based remediation and
emphasizing its importance in augmenting the efficacy of environmental
remediation while mitigating the use of resource-intensive techniques. The
importance of promptly implementing novel remedial strategies is
emphasized, taking into account the constraints associated with conventional
methodologies. The chapter also explores different categories of
nanoparticles, namely, metallic nanoparticles, metal oxide nanoparticles,
carbon-based nanoparticles, and polymer nanoparticles. Each of these
categories possesses unique characteristics and finds specific utility in various
applications. This section delves into various mechanisms through which
nanoparticles can effectively target and eliminate contaminants, with a
particular focus on adsorption, absorption, and catalytic destruction. The aim
is to highlight the wide array of approaches that nanoparticles employ in order
to achieve successful contaminant removal. The chapter presents many
practical implementations, such as the remediation of groundwater and soil,
the management of air pollution, the purification of water, and the restoration
of marine ecosystems. These examples effectively illustrate the wide range of
uses and potential of nanoparticles in tackling pollution-related issues. The
significance of responsible implementation and mitigation measures is
underscored, with a particular emphasis on environmental safety and risk
assessment. The chapter examines prospective developments in the field,
including developing technology, regulatory factors, and ethical
considerations. It underscores the significance of public knowledge and
community engagement in influencing the responsible application of
nanoparticle-based remediation methods. In summary, the chapter presents a
vision for a planet that is cleaner, healthier, and more sustainable. This vision
is achieved through the responsible utilization of nanoparticle technologies in
environmental cleanup, driven by a dedication to environmental stewardship
and adherence to ethical principles
Aquatic Ecotoxicity of Nanoparticles
Get PDFNanotechnology is a cutting-edge, multidisciplinary field that encompasses a
vast array of fundamental and applied sciences for the creation and use of
nanoscale materials for novel solutions. However, nanoparticles (NPs) have
garnered significant attention due to their widespread applications in various
industries. However, their release into aquatic ecosystems has raised
concerns about potential adverse effects on aquatic organisms.
Nanoparticles, due to their unique properties, can enter water bodies and
interact with aquatic organisms, potentially disrupting their physiology,
metabolism, and growth. This can lead to ecological imbalances, affecting
aquatic species and ecosystems, and necessitates thorough assessment to
understand potential risks and mitigate harmful impacts. Given the findings of
several ecotoxicological studies documenting their negative consequences,
there is growing concern today regarding synthetic nanomaterials. This
chapter explores the adverse effects nanoparticles can have on aquatic
ecosystems, their exposure routes in aquatic systems and entry routes into
aquatic organisms, their toxicity mechanisms, environmental conditions that
affect their activities, and the ecological imbalances they result in. To mitigate
the potential for ecological imbalances, it is essential to understand the risks
associated with nanoparticle pollution and implement measures to minimize
their release and exposure in aquatic environments
Anthropometric Estimates and Comparative Evaluation of Diagnostic Methods for Malaria Parasitemia in Pregnant Women and newborn babies in Southwestern Nigerian Communities
Get PDFMalaria in low-birth-weight newborns affects the prognosis. The anthropometric estimates and comparative evaluation of diagnostic methods for malaria parasitemia in pregnant women and newborn babies in southwest Nigerian communities was investigated in this study. Demography, BMI of mothers and anthropometric data of the newborn children were analysed for malaria infection risk. Venous blood sample from pregnant mothers (n=112) attending routine antenatal clinics and the cord blood during delivery of the newborn (n=112) were analysed Plasmodium infection and comparative evaluation of the diagnostic performance of Rapid Diagnostic Test (RDT), Giemsa Microscopy and PCR assay were evaluated for specificity and sensitivity using the multivariate logistic analysis. Among the pregnant women from various tribes, 90.9% were of the Yoruba tribe, 70.2% had secondary school education, 63.6% belonged to mid-income class, 72.7% had received Intermittent preventive treatment (IRT) and 37.5% slept under ITN (p<0.05). A significant decrease in average BMI of the malaria positive mothers from all study locations (28.18 Kg/m2, 25.05 Kg/m2 and 26.30 Kg/m2) was observed compared to the average BMI of the non- infected pregnant mothers (p= 0.034). The anthropometric values of infected babies significantly decreased in chest circumference ranging between 20.44 to 21.83cm compared 23.15cm in uninfected babies (p<0.05). The average malaria parasite density in infected mothers and babies (18,345 and 6,486 per 200WBC) with higher prevalence of 11.78% and 8.00% respectively of Plasmodium falciparum was found in infected mothers and infected babies respectively, compared to other Plasmodium species. Higher Plasmodium detection rate by PCR (21.62%) for both mothers and babies compared to microscopy and RDT was recorded. Poor education, poverty and poor use of preventive measures are major risk factors for the high prevalence of malaria among pregnant women. PCR-based methods should be considered as part of diagnosis for early detection of mother-to-child transmission of malaria and reduction of risk of infection for the newborn particularly in endemic areas
Design of Potential Inhibitors of Pf5-ALAS in Liver Stage Plasmodium falciparum: A Sustainable Chemotherapeutic Approach to Address Antimalarial Resistance
Get PDFPlasmodium falciparum delta-aminolevulinate synthase (Pf5-ALAS) is the first enzyme in the
heme biosynthetic pathway, and it is a liver stage specific enzyme in the developmental stages of
Plasmodium falciparum. 8-amino quinoline derivatives have been reported to be active against liver stage
parasite and hence was used as a template in the design of 12 derivatives as sustainable chemotherapeutics
that were screened in this study designed as potential inhibitors of Pf5-ALAS. The target was modelled due
to the unavailability of its experimentally validated 3-dimensional (3D) structure. The binding energy of
all 12 designed compounds ranged from -7.9 to -9.1 Kcal/mol which all performed better than primaquine
a known inhibitor of liver stage malaria. All twelve designed compounds had comparatively good
pharmacokinetic profiles and did not present a toxicity risk, according to in silico ADMET prediction. The
position and presence of a functional group that introduces a synergistic impact and subsequently raises the
binding energy are highlighted in the qualitative structural assessment of the top three hits. This might pave
way to highly economical new antimalarial therapeutic for sustainability health and wellbeing in sub-
Saharan Africa and beyon