Subjects -> CHEMISTRY (Total: 1001 journals)
    - ANALYTICAL CHEMISTRY (59 journals)
    - CHEMISTRY (726 journals)
    - CRYSTALLOGRAPHY (23 journals)
    - ELECTROCHEMISTRY (28 journals)
    - INORGANIC CHEMISTRY (45 journals)
    - ORGANIC CHEMISTRY (49 journals)
    - PHYSICAL CHEMISTRY (71 journals)

CHEMISTRY (726 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: 36)
ACS Applied Polymer Materials     Hybrid Journal   (Followers: 14)
ACS Catalysis     Hybrid Journal   (Followers: 77)
ACS Chemical Neuroscience     Hybrid Journal   (Followers: 25)
ACS Combinatorial Science     Hybrid Journal   (Followers: 25)
ACS Macro Letters     Hybrid Journal   (Followers: 34)
ACS Materials Letters     Open Access   (Followers: 3)
ACS Medicinal Chemistry Letters     Hybrid Journal   (Followers: 49)
ACS Nano     Hybrid Journal   (Followers: 448)
ACS Photonics     Hybrid Journal   (Followers: 19)
ACS Symposium Series     Full-text available via subscription   (Followers: 3)
ACS Synthetic Biology     Hybrid Journal   (Followers: 40)
Acta Chemica Iasi     Open Access   (Followers: 8)
Acta Chemica Malaysia     Open Access  
Acta Chimica Slovaca     Open Access   (Followers: 4)
Acta Chimica Slovenica     Open Access   (Followers: 2)
Acta Chromatographica     Full-text available via subscription   (Followers: 9)
Acta Facultatis Medicae Naissensis     Open Access   (Followers: 1)
Acta Metallurgica Sinica (English Letters)     Hybrid Journal   (Followers: 10)
Acta Scientifica Naturalis     Open Access   (Followers: 3)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 9)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 10)
Adsorption Science & Technology     Open Access   (Followers: 9)
Advanced Electronic Materials     Hybrid Journal   (Followers: 7)
Advanced Functional Materials     Hybrid Journal   (Followers: 81)
Advanced Journal of Chemistry, Section A     Open Access   (Followers: 15)
Advanced Journal of Chemistry, Section B     Open Access   (Followers: 14)
Advanced Science Focus     Free   (Followers: 7)
Advanced Theory and Simulations     Hybrid Journal   (Followers: 5)
Advanced Therapeutics     Hybrid Journal   (Followers: 1)
Advances in Chemical Engineering and Science     Open Access   (Followers: 108)
Advances in Chemical Science     Open Access   (Followers: 50)
Advances in Chemistry     Open Access   (Followers: 39)
Advances in Chemistry     Full-text available via subscription   (Followers: 6)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 21)
Advances in Drug Research     Full-text available via subscription   (Followers: 27)
Advances in Environmental Chemistry     Open Access   (Followers: 11)
Advances in Enzyme Research     Open Access   (Followers: 13)
Advances in Fluorine Science     Full-text available via subscription   (Followers: 8)
Advances in Fuel Cells     Full-text available via subscription   (Followers: 20)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 11)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 35)
Advances in Nanoparticles     Open Access   (Followers: 20)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 20)
Advances in Polymer Science     Hybrid Journal   (Followers: 53)
Advances in Protein Chemistry     Full-text available via subscription   (Followers: 19)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 22)
Advances in Quantum Chemistry     Full-text available via subscription   (Followers: 7)
Advances in Science and Technology     Full-text available via subscription   (Followers: 17)
Aerosol Science and Engineering     Hybrid Journal  
African Journal of Bacteriology Research     Open Access  
African Journal of Chemical Education     Open Access   (Followers: 6)
African Journal of Pure and Applied Chemistry     Open Access   (Followers: 7)
Aggregate     Open Access   (Followers: 3)
Agrokémia és Talajtan     Full-text available via subscription   (Followers: 3)
Al-Kimia : Jurnal Penelitian Sains Kimia     Open Access  
Alchemy : Journal of Chemistry     Open Access   (Followers: 5)
Alchemy : Jurnal Penelitian Kimia     Open Access   (Followers: 2)
Alkaloids: Chemical and Biological Perspectives     Full-text available via subscription   (Followers: 2)
Alotrop     Open Access  
AMB Express     Open Access   (Followers: 1)
Ambix     Hybrid Journal   (Followers: 3)
American Journal of Biochemistry and Biotechnology     Open Access   (Followers: 71)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 24)
American Journal of Chemistry     Open Access   (Followers: 41)
American Journal of Plant Physiology     Open Access   (Followers: 13)
Analyst     Full-text available via subscription   (Followers: 40)
Analytical Science Advances     Open Access   (Followers: 2)
Angewandte Chemie     Hybrid Journal   (Followers: 235)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 353)
Annales Universitatis Mariae Curie-Sklodowska, sectio AA – Chemia     Open Access   (Followers: 1)
Annals of Clinical Chemistry and Laboratory Medicine     Open Access   (Followers: 8)
Annual Reports in Computational Chemistry     Full-text available via subscription   (Followers: 4)
Annual Reports Section A (Inorganic Chemistry)     Full-text available via subscription   (Followers: 6)
Annual Reports Section B (Organic Chemistry)     Full-text available via subscription   (Followers: 9)
Annual Review of Chemical and Biomolecular Engineering     Full-text available via subscription   (Followers: 13)
Annual Review of Food Science and Technology     Full-text available via subscription   (Followers: 16)
Antiviral Chemistry and Chemotherapy     Open Access   (Followers: 2)
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 12)
Applied Spectroscopy     Full-text available via subscription   (Followers: 27)
Applied Surface Science     Hybrid Journal   (Followers: 33)
Arabian Journal of Chemistry     Open Access   (Followers: 6)
ARKIVOC     Open Access   (Followers: 1)
Asian Journal of Applied Chemistry Research     Open Access   (Followers: 2)
Asian Journal of Biochemistry     Open Access   (Followers: 3)
Asian Journal of Chemical Sciences     Open Access   (Followers: 1)
Asian Journal of Chemistry and Pharmaceutical Sciences     Open Access   (Followers: 2)
Asian Journal of Physical and Chemical Sciences     Open Access   (Followers: 3)
Atomization and Sprays     Full-text available via subscription   (Followers: 8)
Australian Journal of Chemistry     Hybrid Journal   (Followers: 7)
Autophagy     Hybrid Journal   (Followers: 7)
Avances en Quimica     Open Access  
Biochemical Pharmacology     Hybrid Journal   (Followers: 11)
Biochemistry     Hybrid Journal   (Followers: 484)
Biochemistry Insights     Open Access   (Followers: 7)
Biochemistry Research International     Open Access   (Followers: 6)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 11)
Biointerface Research in Applied Chemistry     Open Access   (Followers: 3)
Biointerphases     Open Access   (Followers: 1)
Biology, Medicine, & Natural Product Chemistry     Open Access   (Followers: 4)
Biomacromolecules     Hybrid Journal   (Followers: 27)
Biomass Conversion and Biorefinery     Partially Free   (Followers: 11)
Biomedical Chromatography     Hybrid Journal   (Followers: 6)
Biomolecular NMR Assignments     Hybrid Journal   (Followers: 4)
BioNanoScience     Partially Free   (Followers: 6)
Bioorganic & Medicinal Chemistry     Hybrid Journal   (Followers: 214)
Bioorganic & Medicinal Chemistry Letters     Hybrid Journal   (Followers: 88)
Bioorganic Chemistry     Hybrid Journal   (Followers: 10)
Biopolymers     Hybrid Journal   (Followers: 18)
Biosensors     Open Access   (Followers: 4)
Biotechnic and Histochemistry     Hybrid Journal   (Followers: 1)
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: 26)
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: 2)
Canadian Journal of Chemistry     Hybrid Journal   (Followers: 13)
Canadian Mineralogist     Full-text available via subscription   (Followers: 7)
Carbohydrate Polymer Technologies and Applications     Open Access   (Followers: 3)
Carbohydrate Polymers     Hybrid Journal   (Followers: 13)
Carbohydrate Research     Hybrid Journal   (Followers: 26)
Carbon     Hybrid Journal   (Followers: 76)
Catalysis Reviews: Science and Engineering     Hybrid Journal   (Followers: 9)
Catalysis Science and Technology     Hybrid Journal   (Followers: 13)
Catalysis Surveys from Asia     Hybrid Journal   (Followers: 4)
Catalysts     Open Access   (Followers: 14)
Cell Reports Physical Science     Open Access  
Cellulose     Hybrid Journal   (Followers: 17)
Cereal Chemistry     Full-text available via subscription   (Followers: 6)
ChemBioEng Reviews     Full-text available via subscription   (Followers: 3)
ChemCatChem     Hybrid Journal   (Followers: 11)
Chemical and Engineering News     Free   (Followers: 25)
Chemical Bulletin of Kazakh National University     Open Access  
Chemical Communications     Full-text available via subscription   (Followers: 88)
Chemical Engineering Research and Design     Hybrid Journal   (Followers: 28)
Chemical Physics Letters : X     Open Access   (Followers: 4)
Chemical Research in Chinese Universities     Hybrid Journal   (Followers: 4)
Chemical Research in Toxicology     Hybrid Journal   (Followers: 25)
Chemical Reviews     Hybrid Journal   (Followers: 265)
Chemical Science     Open Access   (Followers: 44)
Chemical Science International Journal     Open Access   (Followers: 1)
Chemical Technology     Open Access   (Followers: 71)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 5)
Chemie in Unserer Zeit     Hybrid Journal   (Followers: 56)
Chemie-Ingenieur-Technik (Cit)     Hybrid Journal   (Followers: 23)
ChemInform     Hybrid Journal   (Followers: 9)
Chemistry     Open Access  
Chemistry & Biodiversity     Hybrid Journal   (Followers: 7)
Chemistry & Biology     Full-text available via subscription   (Followers: 31)
Chemistry & Industry     Full-text available via subscription   (Followers: 8)
Chemistry - A European Journal     Hybrid Journal   (Followers: 224)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 20)
Chemistry Africa : A Journal of the Tunisian Chemical Society     Hybrid Journal  
Chemistry and Materials Research     Open Access   (Followers: 24)
Chemistry Central Journal     Open Access   (Followers: 5)
Chemistry Education Research and Practice     Free   (Followers: 8)
Chemistry Education Review     Open Access   (Followers: 5)
Chemistry in Education     Open Access   (Followers: 9)
Chemistry Letters     Full-text available via subscription   (Followers: 49)
Chemistry of Heterocyclic Compounds     Hybrid Journal   (Followers: 4)
Chemistry of Materials     Hybrid Journal   (Followers: 336)
Chemistry of Natural Compounds     Hybrid Journal   (Followers: 10)
Chemistry World     Full-text available via subscription   (Followers: 20)
Chemistry-Didactics-Ecology-Metrology     Open Access   (Followers: 1)
ChemistryOpen     Open Access   (Followers: 1)
ChemistrySelect     Hybrid Journal  
Chemistry–Methods     Open Access   (Followers: 2)
Chemkon - Chemie Konkret, Forum Fuer Unterricht Und Didaktik     Hybrid Journal  
ChemNanoMat     Hybrid Journal   (Followers: 1)
Chemoecology     Hybrid Journal   (Followers: 3)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 14)
Chemosensors     Open Access   (Followers: 1)
ChemPhotoChem     Hybrid Journal  
ChemPhysChem     Hybrid Journal   (Followers: 14)
ChemPlusChem     Hybrid Journal   (Followers: 2)
Chempublish Journal     Open Access   (Followers: 1)
ChemSystemsChem     Hybrid Journal   (Followers: 2)
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: 13)
Chromatographia     Hybrid Journal   (Followers: 22)
Chromatography     Open Access   (Followers: 3)
Chromatography Research International     Open Access   (Followers: 5)
Ciencia     Open Access   (Followers: 1)
Clay Minerals     Hybrid Journal   (Followers: 9)
Cogent Chemistry     Open Access   (Followers: 3)
Colloid and Interface Science Communications     Open Access  
Colloid and Polymer Science     Hybrid Journal   (Followers: 12)
Colloids and Interfaces     Open Access  
Colloids and Surfaces B: Biointerfaces     Hybrid Journal   (Followers: 8)
Combinatorial Chemistry & High Throughput Screening     Hybrid Journal   (Followers: 4)
Combustion Science and Technology     Hybrid Journal   (Followers: 24)
Comments on Inorganic Chemistry: A Journal of Critical Discussion of the Current Literature     Hybrid Journal   (Followers: 2)

        1 2 3 4 | Last

Similar Journals
Journal Cover
Advanced Journal of Chemistry, Section A
Number of Followers: 15  

  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]
  • Thermodynamic and Exergy Analysis of Cogeneration Cycles of Electricity
           and Heat Integrated with a Solid Oxide Fuel Cell Unit

    • Abstract: Among the items that have been widely used as a solution to reduce energy consumption and air pollution are cycles of simultaneous generation of electricity and heat or CHP. In such cycles, the gas turbine’s exhaust gases enter the steam production unit to produce the required steam or hot water. In the meantime, and due to the increasing use of oxidized fuel cells, combined circuits including fuel cells, gas turbines, and recovery boilers have been considered. In this paper, the combined cycle, including fuel, gas turbine, and recovery boiler, was thermodynamically analyzed, and its performance results are compared with a normal CHP cycle. Electrochemical and chemical modeling of fuel cells and exergy and thermodynamic analysis of all cycle components have been performed. In the cycle, performance changes with basic cycle parameters such as the temperature of the combustion products entering the gas turbine, the boiler steam pressure, the pinch point, the flow intensity, and the fuel cell stack temperature were analyzed. According to the results, the efficiency of the combined cycle with a fuel cell, is much higher, 61% compared with the 50% of the normal CHP.
  • Conductometric Approach to the Thermodynamic of Micellization of Anionic
           Surfactants in the Presence of Procaine Hydrochloride

    • Abstract: This study underscores the teleology of micellization behaviours of sodium dodecyl sulphate (SDS) and sodium lauroyl sarcosinate (SLS), an anionic surfactant. The configuration of SDS/SLS water soluble in the presence of 4.0 x 10-5 moldm-3 aqueous solution of procaine hydrochloride within the temperature range of 293.15 K to 313.15 K was observed. Critical micelle concentration (CMC), and degree of counter ion binding (β) were determined from conductivity data. The CMC of SDS and SLS decreased to reach a minimum (T= 308.15 K and 303.15 K for SDS and SLS) and then increased with increasing temperature. On applying mass action model, the obtained CMC values were used to determine the thermodynamic parameters (i.e. free energy of micellization (ΔG°m), enthalpy of micellization (ΔH°m) and entropy of micellization (ΔS°m)). As a function of temperature, the  value was negative and the negativity was enhanced in surfactants-PHC medium as compared with aqueous medium.  This is an indication that spontaneity increases in micelle formation in the SDS+PHC and SLS+PHC systems than water. Entropy-enthalpy compensation were observed on applying Lumry-Rajender-entropy compensation model. The observed compensation temperatures, Tc, for SDS and SLS, were not the same with and without PHC. SDS had Tc values of 302.8±3.14 and 307.7±1.63, while for SLS, Tc=305.46±3.14 and 307.33±2.18.  A clear indication of enthalpy–entropy compensation phenomenon was observed.
  • Effective Removal of Methyl Green from Aqueous Solution Using
           Epichlorohydrine Cross-Linked Chitosan

    • Abstract: Epichlorohydrin cross-linked chitosan (EP-Cs) was prepared was characterized using Fourier transform infrared spectroscopy (FT-IR), X-ray powder diffraction (XRD), thermal gravimetry (TG-DTA) and differential calorimetric analysis (DSC), and used as adsorbent for methyl green (MG) removal. Epy-Chit was soaked in methyl green solution with concentration of 40 mg/L using a batch adsorption system, to measure the adsorption capacity of the EP-Cs and the percentage of MG removed from the aqueous solution. The optimum MG adsorption on EP-Cs occurred at pH 7.8, agitation time of 60 minute and adsorbent dosage of 0.02 g were observed. Adsorption results show that the EP-Cs exhibited the excellent performance for the MG removal from aqueous solution. This study suggests that EP-Cs could be explored as an adsorbent for removing other organic pollutants.
  • Action of
           4-[(Z)-(4-Methoxybenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol as
           Chemosensor for the Trace Amount of Copper in Aqueous Media

    • Abstract: This research study evaluates a novel, sensitive, and selective spectrophotometric method for the estimation of copper(II) by using a new chromogenic reagent 4-[(Z)-(4-methoxybenzylidene) amino]-5-methyl-4H-1,2,4-triazole-3-thiol (MAMTT) (Schiff base). The maximum absorbance was found to be at 613 nm. Experimental conditions were optimized. Beer’s law was seen in 12.7-50.83 µg/mL of copper concentration range. Calculated molar absorptivity, detection limit and quantification limit of the complex were 0.307x104 L, 6.328 µg/cm3 and 19.177 µg/cm3, respectively. The study of interference of common ions was carried out. The current process was enforced for the estimation of copper in water samples.
  • Investigation of Amino Chalcone Derivatives as Anti-Proliferative Agents
           against MCF-7 Breast Cancer Cell Lines-DFT, Molecular Docking and
           Pharmacokinetics Studies

    • Abstract: Breast cancer is one of the most lethal diseases that has resulted in many deaths in the world. Development of new compounds and repurposing of approved drugs have become very attractive in the field of drug design. Computer-aided drug design has become popular because it is cost effective and time saving. In this work, the molecular descriptors of some amino chalcone derivatives were derived using the density functional theory; some of the optimized molecules were also docked at the active site of a human serine/threonine-protein kinase receptor, 3FC2, to obtain their binding affinities. The potential surface energies for all compounds range from -190.4 kJ/mol to -172.3 kJ/mol for low energy regions and 199.8 kJ/mol to 263.3 kJ/mol for high energy regions indicating that the ligands would bind well with receptors. All compounds have higher binding energy than the standard drug, 5-Fu (-6.19 kcal/mol) when docked into the active site of 3FC2 and their mode of interaction are just like it was in 5-Fu. Our observations are still subject to confirmation via clinical and pre-clinical investigations.
  • Synthesis of New Polyurethanes Based on 2,3-Dihidro-1,4-Phthalazinedione

    • Abstract: In this work, to synthesis the 2-(2-hydroxy ethyle)-2,3-dihydro-1,4-phthalazinedione and 2,3-bis(2-hydroxyethyle)-2,3-dihydro-1,4-phthalazinedione, 2-boromoethanol was reacted with phthalhydrazide in DMAc at presence of triethylamine in mole ratio of 1.5:1 and 3:1 respectively. The structure of the monomers was evaluated using the IR and 1H-NMR spectra. New polyurethanes were synthesized by reaction of the monomers with various diisocyanates including, tolylene diisocyanate, isophorane diisocyanate and hexamethylene diisocyanate. The measured viscosity for these polymers was found to be at the range of 0.45-0.6 dlg-1. The structure of the polymers was proved by IR, 1HNMR spectra and CHN analysis. The TGA and DTG results confirmed high thermal stability for the synthesized polymers.
  • Medicinal Value of Some Bioactive Compounds from Three Species of Striga
           Grass (S. hermontheca, S. aciatica and S. gesnerioides) Extractions

    • Abstract: The control of Striga infestation in agricultural produce proved to be difficult especially in Africa. This study therefore aimed at finding a way of making the plant useful. The results revealed that all the plants contain flavonoids, glycosides, tannins, phenols, oxalate and carbohydrates. Alkaloid and saponnins were only found to be present in S. gesnerioides. A relative high amount of flavonoids (6.86+0.42 mgRutin/g) and phenols in the stem (9.36+0.55 mgGAE/g) of S. gesnerioides closely followed by leaves of S. hermontheca 4.06+0.25 mgRutin/g, 13.06+0.32 mgGAE/g respectively. The presence of these bioactive components indicates the plant’s potential as a source of major secondary metabolites that may serve as novel medicines. The percentage inhibition concentration at 50% (IC50) of S. hermontheca stem, root and leaves were 73.13 µg/g, 41.39 µg/g and 207.01 µg/g respectively. The stem, roots and haustorium of S. gesneriodes indicated an IC50 of 70.39 µg/g, 55.33 µg/g and 55.07 µg/g respectively while S. aciatica 52.35 µg/g, and 72.71 µg/g respectively. Compared to standard ascorbic acid with IC50 of 57.78 µg/g, the three species have relative significant antioxidant activity. Further successive extraction, purification and characterization of the bioactive components found present in this research will make further research interesting.
  • α-Fe2O3 Nanoparticles: Synthesis, Characterization, Magnetic Properties
           and Photocatalytic Degradation of Methyl Orange

    • Abstract: α-Fe2O3 magnetic nanoparticles (MNPs) (Fe-1, Fe-2 and Fe-3) were prepared by a simple wet chemical precipitation route and characterized by Fourier transform infrared spectroscopy (FT‑IR), X‑ray diffraction (XRD) and transmission electron microscopy (TEM). The magnetic behaviors of the as‑prepared Fe3O4 nanoparticles were done using vibrating sample magnetometer (VSM). In addition, the as‑prepared α‑Fe2O3 nanoparticles were used as photocatalyst for degradation and removal of methyl orange (MO) dye under visible light irradiation from aqueous solution. The influence of various parameters such as contact time and dosage of catalyst have been examined and discussed. The studies revealed that the degradation of MO reached to 95% (Fe‑1), 88% (Fe‑2) and 62% (Fe‑3) within 120 min by increasing of catalyst dosage from 0.02 g to 0.06 g.  Degradation rates of MO by Fe‑1, Fe‑2 and Fe‑3 were 0.0249, 0.0177 and 0.0081 min‑1, respectively, indicating that the degradation depends on the crystalline size and morphology of the α‑Fe2O3 magnetic nanoparticles.
  • Synthesis and Molecular Docking Studies of Some Thiohydantoin Derivatives
           as Potential Anticancer and Antimicrobial Agents

    • Abstract: 2-Thiohydantoin derivatives are most remarkably known because of their extensive applications including, hypolipidemic, anticarcinogenic, antimutagenic, antifungal, and antibacterial. For this reason, three of 5-aryl-2-thiohydantion derivatives (3-5) and the conversion of 2-thiohydantoin to thiol ether (7) by alkylation with methyl bromoacetate are successfully synthesized. To evaluate and understand the interactions and the orientation between the synthesized compounds and binding pocket of cancer and bacterial protein receptor, molecular docking studies using the Auto dock Vina were performed against three proteins including; isocitrate dehydrogenase (IDH1, PDB: 4UMX) and two bacterial proteins (LasR-OC12 HSL complex PDB:3IX3, and β-ketoacyl-acyl carrier protein synthase, PDB:1FJ4). The docking results demonstrated that lower free energy of binding (FEB) was obtained from the synthesized compounds ranging from −5.1 to −9.6 kcal/mol for 3IX3, −4.9 to −7.8 kcal/mol for 1FJ4, and −4.4 to −8.5 kcal/mol for 4UMX. 
  • ESKAPE Pathogens: Structure-Activity Relationships of 2,4-Diarylquinolines

    • Abstract: Drug resistance by persisters is a global issue that requires urgent attention. Quinolines and quinolones have proven to be important cores in several bioactive organic chemotypes, based on this, the antimicrobial activity of six derivatives of 2,4-diarylquinolines was evaluated using the disc diffusion method at 5-20 µM/mL. The bioactivity evaluation was conducted on four bacteria examples, two of which are ESKAPE bacteria (Staphylococcus aureus, Streptococcus pneumonia, Escherichia coli and Pseudomonas aeruginosa). The results indicated promising minimum inhibitory concentrations (5 and 10 µM/mL in some cases) and encouraging zones of inhibition against the 4 germs while interesting and reasonable structure-activity relationships were established at the end of the study.
  • Copper Nanomaterials Derived Preventive Technologies for COVID-19
           Pandemic: A Review

    • Abstract: Copper has been well-known for its antimicrobial properties, killing microorganisms and viruses. Scientific evidence attests the potential of copper and copper nanoparticle’s derived surfaces to combat microorganisms and viruses in the surrounding environment. Coronavirus disease 2019 has affected people’s life and undermined the economy worldwide. There are many preventive measures in practice to combat coronavirus disease as per local, national and/or World Health Organization (WHO) guidelines. However, with reference to the antibacterial and antiviral potential of copper and copper nanoparticles, respiratory face masks, phone cases and hand sanitizers are developed by incorporating copper and copper nanoparticles and made available in pandemic time. In this review, copper and copper nanoparticle’s derived preventive technologies are summarised and discussed in detail.
  • Molecular Structure, Optical Properties and Frontier Molecular Orbitals
           for Some of the 4-Substituted Cinnolines: Ab initio Calculations

    • Abstract: In this paper, quantum chemical calculations were performed on urea, cinnoline, and some cinnoline derivatives (1-8) at ab initio/HF/6-311G (d, p) level of theory using Gaussian09 and Gussview05 programs. Calculated optimized molecular structure, dipole moment (μ), polarizability (α), molecular electrostatic potential (MEP), and the first order hyperpolarizability (β) for hetero-aromatics 1 to 8, and urea (as a standard molecule) in three phases (gas phase, in presence of water and ethanol) were calculated. The effects of water and ethanol as solvents were taken into account with the aid of the polarizable continuum model (IEF-PCM). The optical properties of studied molecules are increasing in presence of solvents and their values have a direct relationship with the electric constants of solvents. There is a relationship between optical property and energy of the frontier molecular orbitals (FMOs), so these orbitals and the HOMO-LUMO energy gap (ΔE) were investigated. The nonlinear optical (NLO) materials are applied in optical devices, so they are very important. Since experimentally measurement of NLO property is hard, theoretical chemistry is useful in designing new NLO materials.
School of Mathematical and Computer Sciences
Heriot-Watt University
Edinburgh, EH14 4AS, UK
Tel: +00 44 (0)131 4513762

Your IP address:
Home (Search)
About JournalTOCs
News (blog, publications)
JournalTOCs on Twitter   JournalTOCs on Facebook

JournalTOCs © 2009-