Subjects -> CHEMISTRY (Total: 928 journals)
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    - CHEMISTRY (661 journals)
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CHEMISTRY (661 journals)                  1 2 3 4 | Last

Showing 1 - 200 of 735 Journals sorted alphabetically
Accounts of Materials Research     Hybrid Journal  
Accreditation and Quality Assurance: Journal for Quality, Comparability and Reliability in Chemical Measurement     Hybrid Journal   (Followers: 30)
ACS Applied Polymer Materials     Hybrid Journal   (Followers: 8)
ACS Catalysis     Hybrid Journal   (Followers: 52)
ACS Chemical Neuroscience     Hybrid Journal   (Followers: 23)
ACS Combinatorial Science     Hybrid Journal   (Followers: 21)
ACS Environmental Au     Open Access   (Followers: 9)
ACS Macro Letters     Hybrid Journal   (Followers: 25)
ACS Materials Letters     Open Access   (Followers: 2)
ACS Medicinal Chemistry Letters     Hybrid Journal   (Followers: 42)
ACS Nano     Hybrid Journal   (Followers: 182)
ACS Photonics     Hybrid Journal   (Followers: 14)
ACS Symposium Series     Full-text available via subscription   (Followers: 3)
ACS Synthetic Biology     Hybrid Journal   (Followers: 30)
Acta Chemica Malaysia     Open Access  
Acta Chimica Slovaca     Open Access   (Followers: 2)
Acta Chimica Slovenica     Open Access   (Followers: 2)
Acta Chromatographica     Full-text available via subscription   (Followers: 7)
Acta Metallurgica Sinica (English Letters)     Hybrid Journal   (Followers: 8)
Acta Scientifica Naturalis     Open Access   (Followers: 2)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 7)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 10)
Adsorption Science & Technology     Open Access   (Followers: 7)
Advanced Electronic Materials     Hybrid Journal   (Followers: 7)
Advanced Functional Materials     Hybrid Journal   (Followers: 71)
Advanced Journal of Chemistry, Section A     Open Access   (Followers: 3)
Advanced Journal of Chemistry, Section B     Open Access   (Followers: 1)
Advanced Science Focus     Free   (Followers: 6)
Advanced Theory and Simulations     Hybrid Journal   (Followers: 2)
Advanced Therapeutics     Hybrid Journal   (Followers: 1)
Advances in Chemical Engineering and Science     Open Access   (Followers: 109)
Advances in Chemical Science     Open Access   (Followers: 51)
Advances in Chemistry     Open Access   (Followers: 34)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 15)
Advances in Environmental Chemistry     Open Access   (Followers: 11)
Advances in Enzyme Research     Open Access   (Followers: 10)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 8)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 33)
Advances in Nanoparticles     Open Access   (Followers: 17)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 18)
Advances in Polymer Science     Hybrid Journal   (Followers: 51)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 18)
Advances in Quantum Chemistry     Full-text available via subscription   (Followers: 6)
Advances in Sample Preparation     Open Access   (Followers: 5)
Advances in Science and Technology     Full-text available via subscription   (Followers: 16)
Aerosol Science and Engineering     Hybrid Journal  
African Journal of Chemical Education     Open Access   (Followers: 5)
African Journal of Pure and Applied Chemistry     Open Access   (Followers: 6)
Aggregate     Open Access   (Followers: 1)
Agrokémia és Talajtan     Full-text available via subscription   (Followers: 2)
Al-Kimia : Jurnal Penelitian Sains Kimia     Open Access  
Alchemy : Journal of Chemistry     Open Access   (Followers: 4)
Alchemy : Jurnal Penelitian Kimia     Open Access  
Alotrop     Open Access  
AMB Express     Open Access   (Followers: 1)
Ambix     Hybrid Journal   (Followers: 3)
American Journal of Biochemistry and Biotechnology     Open Access   (Followers: 43)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 19)
American Journal of Chemistry     Open Access   (Followers: 37)
American Journal of Plant Physiology     Open Access   (Followers: 9)
Analyst     Hybrid Journal   (Followers: 35)
Analytical Science Advances     Open Access   (Followers: 1)
Angewandte Chemie     Hybrid Journal   (Followers: 152)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 230)
Annales Universitatis Mariae Curie-Sklodowska, sectio AA – Chemia     Open Access   (Followers: 1)
Annals of Clinical Chemistry and Laboratory Medicine     Open Access   (Followers: 6)
Annual Reports in Computational Chemistry     Full-text available via subscription   (Followers: 4)
Annual Reports Section A (Inorganic Chemistry)     Full-text available via subscription   (Followers: 5)
Annual Review of Chemical and Biomolecular Engineering     Full-text available via subscription   (Followers: 12)
Annual Review of Food Science and Technology     Full-text available via subscription   (Followers: 13)
Antiviral Chemistry and Chemotherapy     Open Access   (Followers: 1)
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 7)
Applied Spectroscopy     Full-text available via subscription   (Followers: 24)
Applied Surface Science     Hybrid Journal   (Followers: 31)
Arabian Journal of Chemistry     Open Access   (Followers: 4)
ARKIVOC     Open Access   (Followers: 1)
Asian Journal of Applied Chemistry Research     Open Access   (Followers: 1)
Asian Journal of Biochemistry     Open Access   (Followers: 2)
Asian Journal of Chemical Sciences     Open Access  
Asian Journal of Chemistry and Pharmaceutical Sciences     Open Access  
Asian Journal of Physical and Chemical Sciences     Open Access   (Followers: 2)
Australian Journal of Chemistry     Hybrid Journal   (Followers: 7)
Autophagy     Hybrid Journal   (Followers: 7)
Biochemical Pharmacology     Hybrid Journal   (Followers: 11)
Biochemistry     Hybrid Journal   (Followers: 201)
Biochemistry Insights     Open Access   (Followers: 6)
Biochemistry Research International     Open Access   (Followers: 5)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 5)
Biointerface Research in Applied Chemistry     Open Access  
Biointerphases     Open Access   (Followers: 1)
Biology, Medicine, & Natural Product Chemistry     Open Access   (Followers: 2)
Biomacromolecules     Hybrid Journal   (Followers: 23)
Biomass Conversion and Biorefinery     Partially Free   (Followers: 10)
Biomedical Chromatography     Hybrid Journal   (Followers: 6)
Biomolecular NMR Assignments     Hybrid Journal   (Followers: 3)
BioNanoScience     Partially Free   (Followers: 3)
Bioorganic & Medicinal Chemistry     Hybrid Journal   (Followers: 90)
Bioorganic & Medicinal Chemistry Letters     Hybrid Journal   (Followers: 66)
Bioorganic Chemistry     Hybrid Journal   (Followers: 9)
Biopolymers     Hybrid Journal   (Followers: 15)
Biosensors     Open Access   (Followers: 3)
Biotechnic and Histochemistry     Hybrid Journal   (Followers: 3)
Bitácora Digital     Open Access  
Boletin de la Sociedad Chilena de Quimica     Open Access  
Bulletin of Institute of Chemistry and Chemical Technology, Mongolian Academy of Sciences     Open Access  
Bulletin of the Chemical Society of Ethiopia     Open Access   (Followers: 1)
Bulletin of the Chemical Society of Japan     Full-text available via subscription   (Followers: 24)
Bulletin of the Korean Chemical Society     Hybrid Journal   (Followers: 1)
C - Journal of Carbon Research     Open Access   (Followers: 5)
Cakra Kimia (Indonesian E-Journal of Applied Chemistry)     Open Access  
Canadian Association of Radiologists Journal     Full-text available via subscription   (Followers: 1)
Canadian Journal of Chemistry     Hybrid Journal   (Followers: 12)
Canadian Mineralogist     Full-text available via subscription   (Followers: 5)
Carbohydrate Polymer Technologies and Applications     Open Access  
Carbohydrate Polymers     Hybrid Journal   (Followers: 9)
Carbohydrate Research     Hybrid Journal   (Followers: 24)
Carbon     Hybrid Journal   (Followers: 65)
Carbon Capture Science & Technology     Open Access  
Carbon Trends     Open Access   (Followers: 4)
Catalysis Reviews: Science and Engineering     Hybrid Journal   (Followers: 9)
Catalysis Science and Technology     Hybrid Journal   (Followers: 9)
Catalysis Surveys from Asia     Hybrid Journal   (Followers: 4)
Catalysts     Open Access   (Followers: 11)
Cell Reports Physical Science     Open Access  
Cellulose     Hybrid Journal   (Followers: 7)
Cereal Chemistry     Full-text available via subscription   (Followers: 4)
Chem     Hybrid Journal  
Chem Catalysis     Hybrid Journal  
ChemBioEng Reviews     Full-text available via subscription   (Followers: 3)
ChemCatChem     Hybrid Journal   (Followers: 8)
Chemical and Engineering News     Free   (Followers: 22)
Chemical Bulletin of Kazakh National University     Open Access  
Chemical Communications     Hybrid Journal   (Followers: 81)
Chemical Engineering Research and Design     Hybrid Journal   (Followers: 26)
Chemical Physics Impact     Full-text available via subscription  
Chemical Research in Chinese Universities     Hybrid Journal   (Followers: 4)
Chemical Research in Toxicology     Hybrid Journal   (Followers: 22)
Chemical Reviews     Hybrid Journal   (Followers: 169)
Chemical Science     Open Access   (Followers: 39)
Chemical Science International Journal     Open Access  
Chemical Technology     Open Access   (Followers: 75)
Chemical Thermodynamics and Thermal Analysis     Open Access   (Followers: 2)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 4)
Chemie in Unserer Zeit     Hybrid Journal   (Followers: 54)
Chemie-Ingenieur-Technik (Cit)     Hybrid Journal   (Followers: 22)
ChemInform     Hybrid Journal   (Followers: 5)
Chemistry     Open Access  
Chemistry & Biodiversity     Hybrid Journal   (Followers: 7)
Chemistry & Industry     Full-text available via subscription   (Followers: 6)
Chemistry - A European Journal     Hybrid Journal   (Followers: 121)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 19)
Chemistry Africa : A Journal of the Tunisian Chemical Society     Hybrid Journal  
Chemistry and Materials Research     Open Access   (Followers: 18)
Chemistry Central Journal     Open Access   (Followers: 4)
Chemistry Education Research and Practice     Free   (Followers: 6)
Chemistry Education Review     Open Access   (Followers: 1)
Chemistry in Education     Open Access   (Followers: 3)
Chemistry Letters     Full-text available via subscription   (Followers: 44)
Chemistry of Heterocyclic Compounds     Hybrid Journal   (Followers: 4)
Chemistry of Materials     Hybrid Journal   (Followers: 162)
Chemistry of Natural Compounds     Hybrid Journal   (Followers: 10)
Chemistry World     Hybrid Journal   (Followers: 20)
Chemistry-Didactics-Ecology-Metrology     Open Access  
ChemistryOpen     Open Access   (Followers: 1)
ChemistrySelect     Hybrid Journal  
Chemistry–Methods     Open Access   (Followers: 1)
Chemkon - Chemie Konkret, Forum Fuer Unterricht Und Didaktik     Hybrid Journal  
ChemNanoMat     Hybrid Journal   (Followers: 1)
Chemoecology     Hybrid Journal   (Followers: 2)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 13)
Chemosensors     Open Access   (Followers: 1)
ChemPhotoChem     Hybrid Journal  
ChemPhysChem     Hybrid Journal   (Followers: 12)
ChemPhysMater     Full-text available via subscription  
ChemPlusChem     Hybrid Journal   (Followers: 2)
Chempublish Journal     Open Access  
ChemSystemsChem     Hybrid Journal   (Followers: 1)
ChemTexts     Hybrid Journal   (Followers: 1)
CHIMIA International Journal for Chemistry     Open Access   (Followers: 2)
Chinese Journal of Chemistry     Hybrid Journal   (Followers: 6)
Chinese Journal of Polymer Science     Hybrid Journal   (Followers: 9)
Chromatographia     Hybrid Journal   (Followers: 22)
Chromatography     Open Access   (Followers: 2)
Chromatography Research International     Open Access   (Followers: 4)
Ciencia     Open Access  
Clay Minerals     Hybrid Journal   (Followers: 8)
Cogent Chemistry     Open Access   (Followers: 3)
Colloid and Interface Science Communications     Open Access  
Colloid and Polymer Science     Hybrid Journal   (Followers: 6)
Colloids and Interfaces     Open Access  
Colloids and Surfaces B: Biointerfaces     Hybrid Journal   (Followers: 8)
Combinatorial Chemistry & High Throughput Screening     Hybrid Journal   (Followers: 2)
Combustion Science and Technology     Hybrid Journal   (Followers: 26)
Comments on Inorganic Chemistry: A Journal of Critical Discussion of the Current Literature     Hybrid Journal   (Followers: 1)
Communications Chemistry     Open Access   (Followers: 2)
Communications Materials     Open Access  
Composite Interfaces     Hybrid Journal   (Followers: 6)
Comptes Rendus : Chimie     Open Access  
Comptes Rendus : Physique     Open Access   (Followers: 2)

        1 2 3 4 | Last

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Journal Cover
Advanced Journal of Chemistry, Section A
Number of Followers: 3  

  This is an Open Access Journal Open Access journal
ISSN (Print) 2645-7768 - ISSN (Online) 2645-5676
Published by Sami Publishing Company Homepage  [3 journals]
  • Phytosynthesis, Characterization and Antimicrobial Studies of Silver
           Nanoparticles Using Aqueous Extracts of Olax Subscorpioidea

    • Abstract: In this study, aqueous extracts of the leaf and root of Olax subscorpioidea were used as solvent, reducing and stabilizing agents in synthesizing silver nanoparticles (AgNPs). The change in color from colorless to dark brown indicated the AgNPs formation. The UV-Vis spectra showed active absorption at 460 nm for the root extract mediated AgNPs attributed to the surface plasmon resonance of the AgNPs. This absorbance is quite intense compared to that of the leaf, which is slightly shifted to a higher wavelength of 465 nm. The FTIR spectra showed absorption bands attributed to O-H and N-H stretching vibrations of the phenolic/amide groups. In addition, the bands due to symmetric stretching vibrations of C-H and carbonyl (C=O) groups are also observed. The bioactive molecules present in the plant extracts do stabilized not only the metal nanoparticles but also play the role of modifying the surface of the particles owing to their different functionalities. The textural properties studied using Brunauer-Emmett-Teller (BET) method gave a specific surface area of 22.84 and 39.8 m2/g, respectively for root and leaf mediated AgNPs. Scanning electron microscopy (SEM) revealed monodisperse microspheres AgNPs, while the transmission electron microscopy (TEM) showed particles in the nanosize regime. The results of the antimicrobial activities showed the Olax subscorpioidea mediated-AgNPs to be effective in inhibiting the growth of bacterial strains more than the antibiotic drugs under investigation.
  • In Silico Identification of Some Novel Ketoamides as Potential
           Pan-Genotypic HCV NS3/4A Protease Inhibitors with Drug-Likeness,
           Pharmacokinetic ADME Profiles and Synthetic Accessibility Predictions

    • Abstract: Hepatitis C virus (HCV) infection promotes death rates worldwide. As a result, there is a constant need to improve current HCV therapy and produce new drugs. The NS3/A4 enzyme plays a critical role in the HCV entire lifespan and proliferation. Consequently, inhibitors of the HCV NS3/A4 enzyme are a great spot to start exploring new drug candidates. In this study, the high throughput in silico screening of the Pubchem database was used to analyze a set of ketoamides as HCV NS3/A4 enzyme inhibitors to find a novel potential drug as a lead candidate. To Voxilaprevir as a reference medicine, our findings revealed that three HCV NS3/A4 protease inhibitors (Pubchem CID: 44158040, 44158107, and 11479303) were identified as the best drugs for blocking hepatitis C virus NS3/A4 protease. The QSAR was performed to study the relationships between the structural features of the targets and their binding affinity by developing statistical models. The reported compounds had a higher binding affinity for the target receptor than Voxilaprevir, the reference drug. This study could be important in understanding the physicochemical and binding affinity of HCV NS3/A4 inhibitors in order to find new and improved HCV antiviral drugs.
  • The Influence of Waste Tire Powder on Mechanical and Acoustic Properties
           of Autoclaved Aerated Concrete

    • Abstract: Waste tires left in the environment are now becoming a global problem. On the other hand, the use of minerals consumed in the construction industry, in addition to being expensive, may reduce the natural mineral reserves around us. Using waste tire powder to make Autoclaved Aerated Concrete (AAC) is cost-effective. The presence of rubber powder inside the AAC leads to the toughness of the concrete and increases the elongation at break, and gives the plastic behavior to the concrete. In this study, rubber powder of different sizes was used as a filler inside the autoclaved concrete. The presence of elastic rubber particles enhances the sound absorption of AAC. The results revealed that by changing the amount of aluminum added to the concrete mixture, the impact of rubber addition on the density of AAC could be controlled. Reducing the particle size of tire powder also increases the sound absorption of AAC.
  • Ternary NR/BR/SBR Rubber Blend in The Presence of Nano Additives

    • Abstract: A ternary nanocomposite containing natural rubber, butadiene rubber, and styrene-butadiene rubber (NR/BR/SBR blend) was prepared in 25/25/50 (phr), on which the effect of adding carbon black, nano clay )C15A), and nano-silica was examined. Rheometric, tensile, and hardness measurement tests were performed on the prepared samples. The nano silica-containing sample showed an inhibitory effect in curing, while the modified nano clay-containing sample showed an accelerating effect on the curing process. The results revealed that the presence of nano-silica caused higher elongation at break. TEM analysis was performed from cross-linked samples to ensure the exfoliation of nano additives in the matrix. The results confirmed the suitable distribution and dispersion of the nanoparticles in the composite samples.
  • Chemoinformatic Design of Phthalazinone Analogues as Novel Dengue Virus
           NS2B-NS3 Protease Inhibitors with Enhanced Pharmacokinetics

    • Abstract: Dengue fever is the most common and important arthropod-borne viral illness in humans. However, no effective medications or vaccinations exist to prevent this condition. The dengue viral (DENV) protease non-structural protein (NS) 2B-3 is a possible target for antiviral treatment. Based on the lead compound reported in our earlier study, eight phthalazinone analogues were designed using a structure-based drug design approach, which involved systematic alterations to the various positions of the benzyl ring bearing carbamate pharmacophore and carbamate terminal chain length of the lead. These compounds were also evaluated for in silico ADME properties and drug-likeness. The molecular docking scores of the design ligands were greater than the template’s binding score, ranging from-8.9 to-9.60 kcal/mol, and also higher than those of the Ribavirin and the co-crystalized protease ligand, which were -8.90, -6.10, and -8.10 kcal/mol, respectively. All of the developed ligands satisfied Lipinski's requirements with good synthetic accessibility (3.07–3.41) and a better ADME profile than the template, indicating that they were highly bioavailable and simple to synthesize in the laboratory. Phthalazinone derivatives with higher binding scores (-9.0 to -9.60 kcal/mol) were designed and found to interact well with the DENV NS2B-NS3 protease. The compounds also have significantly improved pharmacokinetic and ADME properties compared to their parent template. The designed compounds could be used as a starting point for developing potent DENV NS2B-NS3 protease inhibitors with suitable pharmacokinetic and ADME properties.
  • Investigation of Structural, Electronic, and Optical Properties of SrTiO3
           and SrTi0.94Ag0.06O3 Quantum Dots Based Semiconductor Using First
           Principle Approach

    • Abstract: Due to the legitimate crystal size of SrTiO3, in this work, a synthesized compound was introduced and structurally characterized as the quantum dots. The crystal of SrTiO3 was designed using computational tools. There is no obtainable information for hypothetical and conceptual studies, and computational studies. First, using the CASTAP code from material studio 8.0 the structural geometry was optimized using the generalized gradient approximation (GGA) with the hybrid functional, Perdew-Burke-Ernzerhof (PBE) to calculate the electronic structure, geometry, and optical properties for the SrTiO3. The crystal size of the optimized structure was 2.0 nm for both SrTiO3 and SrTi0.94Ag0.06O3, which stays in quantum dots. With the help of GGA with PBE,  the band gap was recorded at 1.77 eV, and for evaluating the nature of 5s, 4p, and 3d orbitals for a Sr atom, 4s, 3p and 3d orbitals for Ti atom, 5s, 4p, and 4d orbitals for Ag atom and 2s, and 2p orbitals for O atom for SrTiO3 are obtained. Density of state(DOS) and the partial Density of state(PDOS) of SrTi0.94Ag0.06O3 were replicated. The optical properties, like absorption, reflection, refractive index, and conductivity, were replicated, dielectric function and loss function was computed. By replacing the Ti atom on SrTiO3 6% Ag atom was doped to elaborate the demeanor nature, and because of this 0.00 eV band gap was obtained having a molecular formula by SrTi0.94Ag0.06O3 , as well as the optical conductivity and optical absorption was soared compared with parent SrTiO3. 
  • Complexation of Ag(I) with 8-Hydroxyquinoline: Synthesis, Spectral Studies
           and Antibacterial Activities

    • Abstract: In the present study, silver complex with 8-hydroxyquinoline (8-HQ) was synthesized and characterized by FT IR and UV-VIS spectroscopic methods. The stoichiometric ratio, molar absorptivity, and formation constant were evaluated using UV-VIS spectrophotometric method. Both oxygen and nitrogen atoms from 8-HQ were included in the complex formation as stated by the spectral data. The UV-VIS spectrophotometric data indicated the formation of (1:1) complex with a formation constant of 4.2x108. Also, the antimicrobial effects of the ligand and the complex were examined in vitro. The diffusion style was used to investigate the antimicrobial activity on some chosen gram-positive and gram-negative bacteria. The ligand and its metal complex possessed antibacterial activity for particular bacteria such as Staphylococcus aureus and Proteus spp. The antimicrobial activity of the complex was higher with gram-negative bacteria. Meanwhile, the 8-HQ was found to have an appreciably higher capability to inhibit the growth of the gram-positive bacteria.
  • Molecular Docking of Inhibitory Activities of Syzygium Cordatum against
           Mycobacterium Tuberculosis

    • Abstract: Tuberculosis remains a significant infectious disease-causing over 1.8 million deaths a year, making it one of the world’s most deadly human pathogens. Phytochemicals from natural products are intensely becoming alternative sources of antimicrobial agents with striking mechanisms of action and common side effects compared to synthetic drugs such as isoniazid (−4.7 kcal/mol), pyrazinamide (−4.4 kcal/mol), and ethambutol (−4.5 kcal/mol). Isolated phytochemicals from the bark of Syzygium cordatum were evaluated for antimicrobial activity against mycobacterium tuberculosis through molecular docking. It was observed that quite a number of the phytochemicals have good binding affinities much better than those of the commonly used first-line drugs. Pharmacokinetics analysis of these phytochemicals revealed that binding affinity alone is not enough to prove the potency of a promising drug candidate. Only 7 compounds among the 18 screened compounds passed all the analyses and are identified as potential mycobacterium tuberculosis (4RHT) inhibitors. This study thereby recommends Arjunolic acid (−8.2 kcal/mol), Caffeic acid (−5.8 kcal/mol), Cinnamic acid (−5.6 kcal/mol), Epifriedelinol (−8.9 kcal/mol), Friedelin (−8.8 kcal/mol), Hexahydroxydiphenic acid (−6.6 kcal/mol) and Sinapic acid (−5.3 kcal/mol) as potential inhibitors of mycobacterium tuberculosis (4 RHT) with better pharmacokinetics and bioavailability.
  • GC-MS Analysis of Methanol Extract of Strychnos Innocua (Delile) Root Bark

    • Abstract: The use of plant products as medicines could be traced as far back as the beginning of human civilization. The medicinal plant “Strychnos innocua (a Loganiaceae plant)” is a deciduous shrub growing 2-12 m tall. This study aimed at using GC-MS to determine the chemical composition and antifungal activity of a root bark methanol extract against Candida krusei. The plant sample was collected and identified at Ahmadu Bello University, Zaria. The maceration extraction method was used to obtain the methanol root bark extract. The chromatogram from the GC-MS analysis revealed sixty-four (64) peaks corresponding to fifty-five phytoconstituents from various organic groups. Among the significant compounds discovered are 9,12-Octadecadienoic acid (5.48%), Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans- (6.72%), Tetradecanoic acid, 12-methyl-, methyl ester (6.87%), Ethyl Oleate (8.29%), 1,2-Benzenedicarboxylic acid, butyl 8-methylnonyl ester (9.10%), Linoleic acid ethyl ester (10.31%) with 6-Octadecenoic acid, methyl ester and peak area of 11.42% being considered the highest peak area. In contrast, Bicyclo[13.1.0]hexadecan-2-one with a peak of 0.03% is considered the lowest peak area. It can be concluded that the phytocompounds discovered in the root bark methanol extract of Strychnos innocua could be valuable in treating some human ailments.
  • In-silico Design of Oxadiazole Hybrids as Potential Inhibitors of Dengue
           Virus NS2B-NS3 Protease

    • Abstract: This study aimed at designing highly potent dengue virus (DENV) inhibitors targeting the NS2B-NS3 protease from 1,2-benzisothiazol-3(2H)-one-1,3,4-oxadiazole (BTZO) hybrid through quantitative-structure-activity relationship (QSAR) and subsequently structure-based design, molecular docking, and ADMET (Adsorption-Distribution-Metabolism-Excretion Toxicity) of the designed BTZO derivatives. A QSAR model was developed to correlate the biological activity with the descriptor calculated from the BTZO hybrid using multiple linear regression. The model was validated and the information from the model was used to design more potent derivatives which were evaluated through molecular docking and ADMET prediction. The QSAR model showed good statistical quality (R2Training = 0.89228, R2predicted = 0.72734 R2adjusted = 0.87074, Q2LOO = 0.81896, and cR2p = 0.8154) leading to the design of nine active BTZO derivatives with better inhibitory activity than the lead compound (7n). A binding score of -23.731, -20.210, -23.568 kcal/mol better than Panduratin and Ribavirin (-14.1715, -17.2571 kcal/mol) for compounds C-148, C-205, and C-206 respectively were obtained, including good ADMET properties. This discovery not only aided in understanding the binding manner of BTZO hybrid to the NS2B-N3 targets but also provided information for the development of active NS2B-N3 protease inhibitors.
  • Synthesis and Biological Study of Substituted 2”-Hydoxy,
           2”,4”-dichloro Chalcones and Their Co(II), Cu(II) and Ni(II) Complexes
           for Their Antioxidant and Antimicrobial Potentials

    • Abstract: 2-methoxy-2-hydroxychalcone (2M2HC) and 4-methoxy-2,4-dichlorochalcone (4M24DC) and their metal complexes were synthesized, characterised and confirmed by melting point determination, Fourier transform infrared (FT-IR), UV-Visible, 1H-NMR, EI-MS and AAS spectroscopic techniques. Elemental analysis was carried out and found in agreement with the calculated values. Metal(II) complexes, [M(L1-2)2], [where M = Ni(II), Cu(II), Co(II); L=2-methoxy-2-hydroxychalcone (2M2HC) and 4-methoxy-2,4-dichlorochalcone (4M24DC)] were subsequently prepared. The biological evaluation of the synthesized chalcone derivatives and the metal complexes were carried out. The chalcones and their metal complexes were screened for antioxidant (DPPH; 2,2-diphenyl-1-picrylhydrazyl and ABTS; 2,2-azino-bis(3-alkylbenzothiazoline-6-sulphonic acid) and antimicrobial activities. Overall, the ligands (chalcones) and their metal complexes demonstrated good to moderate antioxidant and antimicrobial activities.
  • Assessment of Failure Mechanisms in an Industrial Firewater Pipeline: A
           Case Study

    • Abstract: In this case study, the major mechanisms contributing to failure of a petrochemical firewater (FW) pipeline were assessed. The outer surface of FW pipe exhibited general corrosion and formation of noticeable pits due to separation of wrapping coating. The results of XRF, EDS, and XRD analysis demonstrated the presence of Fe2O3, CaCO3, SiO2, and NaCl indicating the presence of iron oxide (Fe2O3) and silica (SiO2) as corrosion products, and CaCO3 and NaCl as sediments found in water. The formation of deposits (precipitates) on the whole internal surface of the pipe and occurrence of general corrosion, under-deposit corrosion, and tuberculation was confirmed by visual inspection and microscopic examination (SEM). The deposits formed in the pipe may originate and/or accelerate corrosion through forming oxygen depleted area under deposit, playing as anodic region compared to the surrounding area and lead to more aggressive corrosive attack under the deposit. Moreover, the tubercles were the main reason of formation of oxygen concentration cells as the oxygen-deficient sites beneath the tubercles playing as anodic regions and surrounding areas act as cathodic regions resulting in localized corrosion.
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