دانلود کتاب Sustainable Chemistry Research. Volume 1: Chemical and Biochemical Aspects

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Sustainable Chemistry Research. Volume 1: Chemical and Biochemical Aspects
Copyright
Preface of the Book of Proceedings of the Virtual Conference on Chemistry and its Applications (VCCA-2022)
Contents
List of contributing authors
1. Dipeptidyl peptidase IV: a multifunctional enzyme with implications in several pathologies including cancer
Abstract
1.1 Introduction: cancer is coming and we need more and more effective weapons to stop or ameliorate it
1.2 DPP-IV general characteristics: an interesting peptidase that is more than just an enzyme
1.2.1 DPP-IV gene and protein expression: a vast picture across human tissues
1.2.2 DPP-IV active site structure: catalytic triad, residues of interest and substrate specificity
1.2.3 DPP-IV β-propeller domain: a singular structure from a singular protein
1.2.4 DPP-IV cellular expression: a very wide spread molecule
1.3 DPP-IV main functions: how versatile protein is DPP-IV!
1.3.1 DPP-IV and metabolism: an old and well-documented story
1.3.2 DPP-IV and the immune system: a story of a dual role and multiple effects
1.3.3 DPP-IV and viral infections: the deadly MERS-CoV and SARS-Cov-2
1.3.4 DPP-IV and asthma: promising evidences (but in mice)
1.3.5 DPP-IV and pulmonary hypertension: a field not very explored
1.3.6 DPP-IV and pulmonary fibrosis: is this a story of inflammation, senescence or or both?
1.3.7 DPP-IV and cardiovascular system: cardio-protector effects of its inhibitions and possible causes
1.4 DPP- IV and cancer: friend or foe?
1.4.1 DPP-IV and leukemia: a protein often linked to worst prognosis
1.4.2 DPP-IV in skin malignancies: a protein that vanishes in melanoma and rises in keratinocyte tumours
1.4.3 DPP-IV in lung cancer: a voluble expression pattern
1.4.4 DPP-IV and endometrial adenocarcinoma: an unsolved question
1.4.5 DPP-IV in ovarian cancer: the importance of fibronectin
1.4.6 DPP-IV in prostate cancer: a possible dependency on DPP-IV levels
1.4.7 DPP-IV and thyroid gland: a very useful tool to discriminate among neoplasias, papillary and follicular carcinomas
1.4.8 DPP-IV and neural tissue: gliomas, meningiomas and neuroblastomas
1.4.9 DPP-IV and mesothelioma: a promising field to be explored
1.4.10 DPP-IV and hepatocarcinoma: a rising not only in cancer, but precancerous pathologies
1.4.11 DPP-IV and gastro-oesophageal junction adenocarcinoma (EGJA): a shortcut to early diagnosis
1.4.12 DPP-IV and colorectal cancers: a protein that remains upregulated from early stages to metastasis
1.4.13 DPP-IV and extracellular matrix proteins or cytoskeleton proteins: a possible way into metastasis
1.4.14 DPP-IV, GLP-1 and cancer: concerns about pancreas
1.4.15 DPP-IV inhibitors and cancer: a tenue light at the end of the tunnel
1.5 Conclusions
References
2. A mini review on the prospects of Fagara zanthoxyloides extract based composites: a remedy for COVID-19 and associated replica?
Abstract
2.1 Introduction
2.2 The state of Covid-19, mode of transmission and treatment
2.3 Herbal remedies
2.4 Fagara zanthoxyloides extracts
2.5 The broad biomedical application of fagara extracts
2.5.1 Antibacterial activities
2.5.2 Antiviral activities
2.6 Composites of Fagara zanthoxyloides extracts
2.7 Conclusion and prospects
References
3. Triterpenoids of antibacterial extracts from the leaves of Bersama abyssinica Fresen (Francoaceae)
3.1 Introduction
3.2 Material and methods
3.2.1 Chemical reagents and equipment
3.2.2 Bacterial strains
3.2.3 Plant material
3.2.4 Extraction and isolation of secondary metabolites
3.2.5 Determination of total polyphenols by the Folin–Ciocalteu method
3.2.6 Antibacterial activity
3.2.7 Data analysis
3.3 Results and discussion
3.3.1 Results of extraction, screening phytochemical and total polyphen
3.3.2 Result of isolation
3.3.3 Result of antibacterial activity
References
4. Physicochemical assessment and insilico studies on the interaction of 5-HT2c receptor with herbal medication bioactive compounds used in the treatment of premature ejaculation
4.1 Introduction
4.2 Methods
4.2.1 Sampling of herbal medicine
4.2.2 Proximate analysis
4.2.2.1 Total ash
4.2.2.2 Moisture
4.2.2.3 Crude fiber
4.2.2.4 Crude fat
4.2.2.5 Crude protein
4.2.2.6 Carbohydrate determination
4.2.3 Phytochemical analysis
4.2.3.1 Ethanolic Extract
4.2.3.2 Phytochemical Screening
4.2.3.2.1 Detection of alkaloids (Wagner’s reagent test)
4.2.3.2.2 Detection of glycosides: (Keller–Killani analysis)
4.2.3.2.3 Flavonoid detection (Alkaline Reagent analysis)
4.2.3.2.4 Test for saponins (Foam indicator)
4.2.3.2.5 Test for phenols (Ferric Chloride reagent)
4.2.3.2.6 Test for tannins
4.2.3.2.7 Test for steroids
4.2.3.2.8 Test for terpenoids
4.2.4 Heavy metal analysis
4.2.5 Gas Chromatography–Mass Spectrometry Analysis (GC-MS)
4.2.5.1 Extraction of crude extracts for gas chromatography-mass spectroscopy
4.2.5.1.1 Method of analysis
4.2.5.1.2 Identification of chemical constituents
4.2.6 In Silico Docking (Molecular Docking)
4.2.6.1 Ligand identification and preparation
4.2.6.2 Molecular Target Identification and preparation
4.2.6.3 Determination of active sites on 5-HT2c receptor proteins
4.2.6.4 Protein–ligand interactions
4.2.6.5 Prediction of admet by computational analysis
4.2.6.6 Statistical analysis
4.3 Results and discussions
4.3.1 Proximate analysis
4.3.2 Phytochemical analysis
4.3.3 Heavy metals analysis
4.3.4 Chemical constituents analysis
4.3.5 Molecular docking analysis
4.3.6 ADMET Studies
4.4 Conclusions
References
5. Xanthoangelol, geranilated chalcone compound, isolation from pudau leaves (Artocarpus kemando Miq.) as antibacterial and anticancer
5.1 Introduction
5.2 Methods
5.2.1 General
5.2.2 Sample preparation
5.2.3 Anti-bacterial and anti-cancer test
5.3 Results and discussions
5.3.1 Isolation of flavonoid compounds
5.3.2 Structural analysis
5.3.3 Antibacterial bioactivity test
5.3.4 Anticancer bioactivity test
5.4 Conclusions
References
6. Exploration of bioactive compounds from Mangifera indica (Mango) as probable inhibitors of thymidylate synthase and nuclear factor kappa-B (NF-Κb) in colorectal cancer management
6.1 Introduction
6.2 Materials and methods
6.2.1 Preparation of the target receptor: Thymidylate synthase (PDB ID: 6QXH) and (NF–κB) (PDB ID: 1A3Q)
6.2.2 Preparation of ligands and geometry optimization
6.2.3 Determination of active sites of the target receptors
6.2.4 ADMET predictions
6.2.5 Drug–likeness predictions
6.2.6 Molecular docking protocol
6.2.7 Oral bioavailability and PASS predictions
6.3 Results and discussions
6.3.1 Validation of the active sites of the receptors
6.3.1.1 Thymidylate synthase (TS) (PDB ID: 6QXG)
6.3.1.2 Nuclear Factor-Kappa B (NF–κB) (PDB ID: 1A3Q)
6.3.2 ADMET/pharmacokinetic prediction analysis
6.3.3 Drug–likeness prediction
6.3.4 Molecular docking analysis
6.3.5 Oral bioavailability analysis
6.3.6 Prediction of activity spectra for substances (PASS)
6.4 Conclusions
References
7. Identification of potential inhibitors of thymidylate synthase (TS) (PDB ID: 6QXH) and nuclear factor kappa-B (NF–κB) (PDB ID: 1A3Q) from Capsicum annuum (bell pepper) towards the development of new therapeutic drugs against colorectal cancer (CRC)
Abstracr
7.1 Introduction
7.2 Materials and methods
7.2.1 Preparation of target receptors
7.2.2 Preparation and geometry optimization of the ligands
7.2.3 Determination of active sites of the target receptors
7.2.4 Predictions of ADMET properties of the compounds
7.2.5 Drug-likeness predictions of the compounds
7.2.6 Oral bioavailability and PASS analysis
7.2.7 Molecular docking studies
7.3 Result and discussions
7.3.1 Validation of the active sites in the target receptors
7.3.1.1 Thymidylate synthase (TS) (PDB ID: 6QXG)
7.3.1.2 Nuclear factor-kappa B (NF–κB)
7.3.2 ADMET predictions
7.3.3 Drug-likeness analysis
7.3.4 Molecular docking analysis
7.3.5 Oral bioavailability of the ligands and standard drugs
7.3.6 Bioactivity of the selected compounds and standard drugs
7.3.7 PASS analysis
7.4 Conclusions
References
8. Synthesis, characterization and in vitro activity study of some organotin(IV) carboxylates against leukemia cancer cell, L-1210
8.1 Introduction
8.2 Experimental
8.2.1 Materials
8.2.2 Characterization techniques
8.2.3 Preparation of organotin(IV) carboxylates
8.2.4 Bioassay anticancer activity test against leukemia cancer cell, L-120
8.3 Results and discussion
8.4 Conclusions
References
9. Phytochemicals from Annona muricata (Sour Sop) as potential inhibitors of SARS-CoV-2 main protease (Mpro) and spike receptor protein: a structure-based drug design studies and chemoinformatics analyses
Abstract
9.1 Introduction
9.2 Materials and methods
9.2.1 Ligand preparation
9.2.2 Protein structure preparation
9.2.3 Drug-likeliness and ADMET profiling analysis
9.2.4 Prediction of activity spectra for substances (PASS) and oral bioactivity assessment
9.2.5 Molecular docking studies
9.3 Results and discussion
9.3.1 ADMET and drug-likeness analyses
9.3.2 Bioactivity and oral-bioavailability assessment
9.3.3 Virtual screening analysis
9.4 Conclusion
References
10. Identification of novel inhibitors of P13K/ AKT pathways: an integrated in-silico study towards the development of a new therapeutic agent against ovarian cancer
10.1 Introduction
10.2 Materials and methods
10.2.1 Ligand preparation
10.2.2 Preparation of target receptor
10.2.3 Determination of (5DXT and 2JDR) active sites
10.2.4 Molecular docking simulation
10.2.5 Prediction of Activity Spectra for Substances (PASS)
10.2.6 Assessment of pharmacokinetic properties
10.3 Results and discussion
10.3.1 Protein kinase B (PKB Beta/Akt2) and Phosphoinositide- 3-kinase (PI3K) structure and active site analysis
10.3.2 ADMET assay of the ligands
10.3.3 Drug likeness analysis of the selected compounds
10.3.4 Molecular docking analysis
10.3.5 Oral bioavailability of the passed compounds
10.3.6 Prediction of activity spectra for substances (PASS)
10.3.7 Bioactivity of the selected compounds
10.3.8 Binding mode and Molecular interactions
10.4 Conclusions
References
11. Immobilization of α-amylase from Aspergillus fumigatus using adsorption method onto zeolite
Abstract
11.1 Introduction
11.2 Materials and methods
11.2.1 Materials
11.2.2 Research Procedures
11.2.2.1 Production, isolation, and purification of α-amylase
11.2.2.2 Determination of enzyme activity and protein content
11.2.2.3 Immobilization of native enzymes
11.2.2.4 Characterization of native and immobilized enzymes
11.2.2.4.1 Optimum temperature determination
11.2.2.4.2 Determination of KM and Vmax values
11.2.2.4.3 Thermal stability
11.2.2.4.4 Determination of t½, ki and ΔGi
11.2.2.4.5 Reusability assay
11.2.2.4.6 Statistic analysis
11.3 Results and discussions
11.3.1 Determination of optimum temperature
11.3.2 Determination of KM and Vmax values
11.3.3 Thermal stability
11.3.4 Reusability assay
11.4 Conclusions
References
12. Phytochemical components and GC–MS analysis of Petiveria alliaceae L. fractions and volatile oils
12.1 Introduction
12.2 Materials and methods
12.2.1 Materials
12.2.2 Methods
12.2.2.1 Plant collection and preparation
12.2.2.2 Phytochemical screening
12.2.2.3 Extraction of volatile oils
12.2.2.4 Gas chromatography–mass spectrometry analysis
12.3 Results and discussion
12.4 Conclusions
References
13. Characterization of crude saponins from stem bark extract of Parinari curatellifolia and evaluation of its antioxidant and antibacterial activities
13.1 Introduction
13.2 Methodology
13.2.1 Collection, identification and preparation
13.2.2 Extraction of crude saponins
13.2.3 Solubility study
13.2.4 Phytochemical screening for saponins
13.2.4.1 Foaming test
13.2.4.2 Determination of foaming index
13.2.4.3 Haemolysis test and microscopy
13.2.4.4 Determination of the nature of glycone and aglycone moieties
13.2.5 Thin layer chromatography
13.2.6 Fluorescence analysis of crude saponins
13.2.7 UV finger and FTIR finger printing
13.2.8 Synthesis of silver nanoparticles
13.2.8.1 UV spectroscopy of the silver nanoparticle solution
13.2.8.2 FTIR spectroscopy of synthesized silver nanoparticle
13.2.8.3 Scanning electron microscope (SEM) X-ray diffraction (XRD)
13.2.9 Antioxidant studies
13.2.9.1 Qualitative TLC screening of free radical scavenging compounds using DPPH
13.2.9.2 Quantitative screening of antioxidant activity using DPPH and H2O2 scavenging assays
13.2.10 Antibacterial studies
13.2.11 Statistical analysis
13.3 Results and discussion
13.3.1 Extraction and solubility of crude saponins
13.3.2 Phytochemical studies
13.3.3 Fluorescence analysis and thin layer chromatographic separation profile of the crude saponins
13.3.4 UV finger printing of crude saponin and FTIR finger printing crude saponin
13.3.5 Synthesis of silver nanoparticles and characterization of nanoparticles
13.3.5.1 UV spectrum of silver nanoparticle solution
13.3.5.2 IR spectrum of silver nanoparticle
13.3.5.3 Scanning electron microscope (SEM)
13.3.5.4 X-ray diffraction
13.3.6 Antioxidant studies
13.3.6.1 TLC qualitative screening of free radical scavenging compounds using DPPH
13.3.6.2 Quantitative antioxidant activity using DPPH and hydrogen peroxide radical assay
13.3.7 Antibacterial activity
13.4 Conclusions
References
14. Physicochemical and free radical scavenging activity of Adansonia digitata seed oil
14.1 Introduction
14.2 Methodology
14.2.1 Collection and identification of Adansonia digitata seeds
14.2.2 Preparation of seed for oil extraction
14.2.3 Organoleptic evaluation of powdered sample of Adansonia digitata
14.2.4 Physicochemical Studies
14.2.5 Extraction of oil
14.2.6 Evaluation of organoleptic characters of the fixed oil
14.2.7 Solubility testing
14.2.8 Specific gravity determination
14.2.9 Qualitative phytochemical screening on the oil
14.2.10 Oil Analyses
14.2.11 GC-MS analysis
14.2.12 Antioxidant studies
14.2.12.1 Thin layer chromatography/qualitative antioxidant assay using
14.2.12.2 In vitro antioxidant assay using 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging capacity
14.2.13 Toxicity study
14.2.13.1 Experimental animals
14.2.13.2 Oral acute toxicity study
14.2.14 Data analysis
14.3 Results and discussion
14.3.1 Organoleptic evaluation of powdered sample of Adansonia digitata
14.3.2 Physicochemical evaluation
14.3.3 Extraction of oil
14.3.4 Organoleptic evaluation of the oil
14.3.5 Solubility studies
14.3.6 Qualitative phytochemical screening
14.3.7 TLC profile of Adansonia digitata oil
14.3.8 GC-MS analysis of Adasonia digitata oil
14.3.9 Oil analyses
14.3.10 Acute toxicity (LD50) studies
14.3.11 Antioxidant studies
14.3.11.1 Qualitative and quantitative free radical scavenging activity using DPPH
14.4 Conclusions
References
15. Photoprotection strategies with antioxidant extracts: a new vision
Abstract
15.1 Introduction
15.2 Material and methods
15.3 Results and discussions
15.3.1 Photostability
15.3.2 Adverse effects in human beings
15.3.3 Adverse effects on environment and marine organisms
15.3.4 Plant extracts as sustainable ingredients for sunscreens and cosmetic formulations
15.3.5 Antioxidant polyphenols as photoprotective agents
15.3.6 Application of green extraction processes for the cosmetic industries
15.3.7 Green extraction, green chemistry, and green cosmetics
15.4 Conclusions
References
16. A systematic DFT study of arsenic doped iron cluster AsFen (n =1-4)
16.1 Introduction
16.2 Computational details
16.3 Results and discussion
16.3.1 Equilibrium geometry
16.3.2 CDFT based descriptors
16.4 Conclusions
References
17. Effect of case-based learning, team-based learning and regular teaching methods on secondary school students’ self-concept in chemistry in Maara sub-county, Tharaka Nithi county, Kenya
Abstracr
17.1 Introduction
17.2 Purpose of the study
17.3 Objective of the study
17.4 Hypotheses of study
17.5 Research design
17.6 Population of study
17.7 Instrumentation
17.8 Students’ self-concept questionnaire (SSCQ)
17.9 Validity of instrument
17.10 Reliability of instrument
17.11 Treatment of study
17.12 Data collection procedures
17.13 Analysis of data
17.14 Effects of CBL, TBL and RTM on students’ chemistry self-concept
17.15 Summary of findings
17.16 Conclusions
17.17 Recommendations for improvement
17.18 Suggestions for further rlesearch
References
18. Random and block architectures of N-arylitaconimide monomers with methyl methacrylate
18.1 Introduction
18.2 Conventional FRP
18.3 Conventional FRP of IIs
18.4 RDRPs
18.5 ATRP
18.5.1 Kinetics of ATRP
18.6 Components of ATRP and their effects on KATRP and kp
18.6.1 Monomers
18.6.2 Initiators
18.6.3 Catalysts
18.6.4 Temperature and Solvents
18.6.5 Modifications on ATRP
18.7 Synthesis of IIs
18.8 Mechanism of copolymerization
18.8.1 Terminal model
18.8.2 Penultimate model
18.8.3 Complex participation model
18.8.4 Discrimination between TM and PM
18.8.5 Microstructure analysis of copolymers of NAI and MMA
18.9 Mechanism and kinetics of copolymerizations of IIs
18.10 MIs and their copolymerization via RDRPs
18.11 ATRP of MIs
18.12 Living polymerizations of IIs
18.12.1 Anionic polymerization
18.12.2 RDRPs of IIs
18.13 Computational study on FRP
18.13.1 Methods of molecular modeling
18.13.2 DFT methods
18.13.3 Basis sets
18.14 Summary and future directions
References
19. Evaluation of phytochemicals and amino acid profiles of four vegetables grown on a glyphosate contaminated soil in Southwestern Nigeria
19.1 Introduction
19.2 Materials and methods
19.2.1 Materials
19.2.2 Methods
19.3 Results and discussion
19.4 Discussion
19.5 Conclusion and recommendation
References
Index