Subjects -> CHEMISTRY (Total: 928 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: 8)
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: 181)
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: 10)
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  
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: 150)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 228)
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: 200)
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: 3)
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: 168)
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: 161)
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

Similar Journals
Journal Cover
Advanced Journal of Chemistry, Section B
Number of Followers: 1  

  This is an Open Access Journal Open Access journal
ISSN (Online) 2716-9634
Published by Sami Publishing Company Homepage  [3 journals]
  • Evaluation of the Stability of Compound 2-Fluoro-1, 3, 2-Dioxaphosphinane
           in Axial and Equatorial Conformations by NBO Analysis

    • Abstract: Cyclohexane and hetero cyclohexane are good models for studying stereo electronics. The derivatives of 1, 3-dioxane are the good examples of ground and transition states of hyper-conjugated reactions. The structural and thermodynamic parameters for 1, 3-dioxane derivatives are investigated by MP2 and B3LYP methods for axial and equatorial conformations. By NBO analysis, the stabilization energy electron delocalization associated with LP2O→σ*P-F is reported in the axial conformation 13.16 and equatorial conformations 1.93, 3.45 kcal/mol for the MP2 and B3LYP methods, respectively. The stabilization of energy electrons delocalization in the axial conformation is higher than that of the equatorial one, indicating that the electrons delocalization transfer occurs more in the axial conformation. The studies on vibrational frequency and bond lengths P-O and P-F have also confirmed this issue. By calculating HOMO and LUMO energy, the hardness and softness, electronegativity, electron affinity energy, ionization energy, and electrophilicity index are examined.
  • Isolation and Characterization of Neoduline from the Rhizome of Dolichos
           pachyrhizus Harm

    • Abstract: Dolichos is a genus of twining plants found in both the Northern and Southern hemispheres, with the most frequently grown and used species being Dolichos biflorus and Dolichos lablab. Antimicrobial, antioxidant, anticancer, anti-schistosomal, and anti-inflammatory properties have been reported in various parts of the Dolichos species, including the leaves, roots, bark, and stem. The rhizome of Dolichos pachyrhizus was cut, air-dried at ambient temperature, and macerated with n-hexane, dichloromethane, ethyl acetate, and methanol for 72 hours each using a conventional maceration procedure, with regular shaking at intervals. The mixture was decanted, filtered, and concentrated at 40 °C using a rotavapor to yield crude n-hexane, dichloromethane, ethyl acetate, and methanol extracts (R110). To obtain the pure isolate, a methanol crude extract of the rhizome of Dolichos pachyrhizus (D. pachyrhizus) was chromatographed on a silica gel column using various eluents. The preliminary phytochemical investigation of the methanolic rhizome extract of Dolichos pachyrhizus revealed the presence of seven (7) different phytochemicals, including; - alkaloids, flavonoids, glycosides, phenols, tannins, saponins and steroids. The structure of the pure isolate was successfully identified, characterized and confirmed using spectroscopic techniques such as; - Fourier transform spectroscopy (FT-IR), Gas chromatography-mass spectrometry (GC-MS) and Nuclear magnetic resonance (NMR) be Neoduline.
  • Investigation of physicochemical and fatty acid composition of oils from
           ripe and unripe Blighia fruit

    • Abstract: Blighia sapida, commonly known as ackee, is an inherent tree crop of West Africa which is prevalent in tropical and subtropical environments. Various parts of the ackee tree are employed in traditional medicine for treatment of several ailments. However, limited information exists on the health benefits and composition of the fruit oils, thus the need for scientific knowledge of the composition, nutritional, antioxidant, physicochemical parameters, and the other properties of the fruit oils for its efficient utilization/ developmental purposes. Physicochemical properties and fatty acid composition of oils from the arils and seeds of ripe and unripe Blighia sapida (ackee) were quantified using standard analytical techniques. The specific gravity of the seed oils ranged between 0.85 - 0.88; saponification value of the oil of the ripe arils (146.74 ± 0.71) was much higher than those of the other oils under investigation, while the oil of the unripe seed had the lowest saponification value (76.10 ± 2.32). The ripe aril oil had the lowest acid value of 11.20 ± 4.65 mg/g, and ripe seed oil recorded the highest acid value of 42.09 ± 0.01 mg/g. The other parameters investigated include the ester value, iodine value, peroxide value, and the % Free Fatty Acid. The fatty acid composition of the oil of the ripe aril are arachidic acid (4.9%), gondoic acid (7.76%), oleic acid (31.76%), palmitic acid (49.20%), palmitoleic acid (1.28%), and stearic acid (5.00%); while arachidic acid (8,58%), behenic acid (36.28%), oleic acid (8.75%), palmitic acid (36.05%), and stearic acid (10.34%) are the fatty acids present in the unripe aril oil. This study concludes that ackee oils may find usage as industrial oil. The results confirmed ackee fruit to be a moderately oily fruit that can be exploited, with proper refining, to produce edible oil, soap, cosmetics, and the other industrial products. 
  • Investigation of Standard Natural Gas Synthesis Technologies

    • Abstract: Natural gas is often associated with oil and pushes oil out of the soil into extraction wells. As the oil-gas mixture rises in the wells, gas is released and carries the mixture to the top of the well. In oils which are not saturated with gas and are only under water pressure, the amount of dissolved gas is less and in supersaturated oils, the amount of gas is higher. There are also streams which contain only natural gas and no oil. The term synthetic gas refers to the gas mixtures which contain Co and H2 in different proportions. H2 and Co are two important substances in the chemical industry and have many uses. Co is used in the production of paints, plastics, foams, insecticides, herbicides, acids, etc., including the use of hydrogen, ammonia production, hydrogenation, and hydrocracking. Synthesis gas is a very valuable raw material for the production of various chemical substances. Using this gas and various processes, it is possible to produce many different chemical substances which depending on the production method, different ratios of hydrogen to Co are obtained. Likewise in industrial use, different ratios are required depending on the process in which the gas is used. Synthetic gas feeds can be hydrocarbons, coal, oil, natural gas, and then vegetable and animal products.
  • A brief overview of the preparation and application of additives in
           lubricating oils in industry

    • Abstract: Mineral lubricants derived from crude oil are relatively inexpensive products used in very expensive engines and industrial machinery and have a direct impact on the efficiency and life of these devices, so it must be ensured to ensure the correct operation of machinery. The quality of oils used is quite good, but unfortunately it has been seen that this important issue is not paid enough attention even by technical experts and in our country much less than it should be valued the quality of oil and how to control it. Petroleum products are the most complex in terms of the relationship between physical and chemical properties and practical efficiency. We know that the type and ratio of different compounds that exist in crude oil in different parts of the world, a country or a region, is very variable. Even in an oil well, especially at different depths, there are different types and percentages of chemicals in crude oil. Petroleum lubricating oils therefore contain a wide variety of hydrocarbons and their derivatives, especially as the components of lubricating oils are generally composed of very large molecules (C15 to C30).
  • Chemical Evaluation of the Effects of Analgesics on the Body's Chemical

    • Abstract: Pain is a sensory state and indicates a disorder in the body. It can be affected in two ways. First, the sensitivity of the relevant receptors can be reduced to such an extent that their excitability is reduced or eliminated by pain waves, which results in a reduction or disappearance of the sensation of pain. It is also possible to induce analgesia by attenuating or eliminating pain waves which enter the thalamus and affect sensitive cortices in the brain. With the synthesis and discovery of new analgesics, the classification of analgesics into non-narcotic compounds and other narcotic compounds is no longer common, and today they are divided into two main groups in terms of potency: weak analgesics and strong analgesics. The first group consists of compounds which are suitable for the treatment of simple and moderate pain and most of them have antipyretic, anti-inflammatory (anti-inflammatory), and anti-rheumatic effects. Very severe pain such as pain from surgery, cancer pain, renal colic, and biliary cannot be relieved with the first group of compounds, and for this, strong analgesics are used which are mostly drugs. 
  • Phytochemical Screening and the Effect of Methanolic Leaves Extract of
           Senna mimosoides on Inflammatory Stimulus-Induced Leukocyte Mobilization

    • Abstract: In traditional medicine, the leaves of Senna mimosoides, has been used to cure oedema and breastfeeding poisoning in newborns. The animal model experiment included a total of twenty-five (25) Wistar albino rats of both sexes, with A (control) receiving 0.2 ml of normal saline. B, C and D received 100, 250 and 500 mg/kg of the methanolic extract respectively, and E receiving 25 mk/kg of the indomethacin standard drug. Preliminary phytochemical screening of the Senna mimisoides methanolic leaves extract indicated the presence of ten (10) different secondary metabolites, including; carbohydrates, glycosides, tannins, reducing sugars, phenols, steroids, terpenoids, saponins, alkaloids and flavonoids. When compared to the control, the total leukocyte count of the groups treated with various dosages of extracts increased in a dose-dependent manner, whereas the group treated with indomethacin fell dramatically. The extract dramatically increased leukocyte mobilization, according to the findings. The results of this investigation showed that the methanolic leaves extract of Senna mimosoides contains medically relevant bioactive components, indicating that it can be used in traditional medicine to treat ailments. The anti-inflammatory property of the extract is not at the level of leuckocyte mobilization. According to this study, however, the extract’s ability to stimulate leukocytes implies that it may have a function in immunological response. 
  • Green synthesis of Copper Nanoparticles and Investigation of its
           Antimicrobial Properties

    • Abstract: Nanoparticles containing copper metal ions and their derivatives are being used for different medical purposes to prevent infections, ulcers etc. The aim of this study was to qualitatively determine the phytochemicals present in the ethanolic extract of Kigelia africana fruit (which are responsible for the reduction of the copper ions as well as stabilization of the nanoparticles), the synthesis of copper nanoparticles (CuNPs) through a green synthesis route from the ethanolic extract of Kigelia africana fruit and the anti-microbial assessment of the synthesized CuNPs. The synthesized nanoparticles were characterized by UV-Vis Spectrophotometer. Phytochemical screening revealed the presence of alkaloids, glycosides, flavonoids, phenols, steroids, tannins, carbohydrate and terpenoids. The synthesized CuNPs were confirmed by the change in colour from dark yellow to dark green. The CuNPs displayed promising antibacterial activity on Pseudomonas aeruginosa, Shigella sp., Staphylococcus aureus, Salmonella typhi, E. coli. The highest inhibition activity was exhibited by Pseudomonas aeruginosa (17.0 ± 4.24 mm). The CuNPs showed considerable antifungal activity against Aspergillus flavus and Aspergillus niger with inhibition activity of 8.0 ± 2.83 mm and 3.0 ± 4.24 mm respectively. Conclusively, the synthesized CuNPs from Kigelia africana should be incorporated as a therapeutic drug for microbial infectious disease and other health associated disorders.
  • Strychnos innocua (Delile): Phytochemical and Antimicrobial Evaluations of
           its root bark extracts

    • Abstract: The antifungal and antibacterial effects of medicinal plants have long been known. The root bark decoction of Strychnos innocua (a Loganiaceae plant) has been used to treat skin infections, candidiasis, and other disorders. Hence, the aim of this study is to determine the phytochemical, antibacterial, and antifungal properties of root bark extracts of S. innocua. This is the first time a study of this nature is been conducted using the root bark of the plant. Maceration with n-hexane, ethyl acetate, and methanol as solvents was used in the extraction process, while the phytochemical analysis of the extracts followed a standard procedure. This confirmed the presence of flavonoids, coumarines, triterpenes, steroids, saponins, tannins, phenols, anthraquinones, quinones, carbohydrates, phlobatannins, glycosides, cardiac and alkaloids. The extracts exhibited antimicrobial activities against MRSA, B. subtilis, P. aeruginosa, S. aureus, C. krusei, A. fumigatus, C. albicans while no activity against E. coli, S. pyogenes, S. typhii, A. niger and K. Pneumoniae were observed. MIC and MBC/MFC were also determined. In conclusion, the root bark of S. innocua is thought to be rich in phytochemicals and has antifungal and antibacterial effects against some of the tested pathogens.
  • Synthesis, crystal structure, Hirshfeld surface, crystal voids, energy
           frameworks, DFT and molecular docking analysis of
           (2,6-dimethoxyphenyl)acetic acid

    • Abstract: (2,6-dimethoxyphenyl)acetic acid exists in the triclinic crystal system having space group P-1 and lattice  dimensions = 7.66(4) Å, b = 8.16(4) Å, c = 8.65(3) Å, V = 503(4) Å3 and Z = 2. The molecular and crystal structure was elucidated using X-ray crystallographic techniques. The refinement of all the structural parameters was done using the full-matrix least-squares method and it yielded the final R-factor as 0.0579 for 1711 observed reflections. In the crystal packing, molecules are consolidated by intermolecular O-H....O and intramolecular C-H....O interactions. The O-H….O interaction makes a dimer corresponding to R22 (8) graph-set motif. Hirshfeld surface (HS) analysis has been complemented to envisage the conformity of the molecular structure. The void-volume analysis has been made to obtain the mechanical strength of the crystal structure. The energy frameworks have been constructed to know the stability of the structure and the kind of dominant energy present in it. The optimized structure using density functional theory (DFT), HOMO–LUMO energy and the charge on the atoms has been examined using B3LYP method. The inhibitory activity of (2,6-dimethoxyphenyl)acetic acid against microbial targets has been assessed using the docking process.
School of Mathematical and Computer Sciences
Heriot-Watt University
Edinburgh, EH14 4AS, UK
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