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Physical Chemistry

Scope: This section publishes articles in all areas of physical chemistry including catalysis, chemical kinetics, chemical physics, thermodynamics, quantum chemistry, surfaces and interfaces, electrochemistry, and photochemistry.

  2. Content type: Research article

    Pesticides and herbicides have been used extensively in agricultural practices to control pests and increase crop yields. Paraquat (PQT2+, 1,1-dimethyl-4,4-dipyridinium chloride) is one of the herbicide that belo...

    Authors: Shehdeh Jodeh, Ghadir Hanbali, Said Tighadouini, Smaail Radi, Othman Hamed and Diana Jodeh

    Citation: BMC Chemistry 2019 13:86

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  3. Content type: Research article

    Ru(bpy)2dppz2+ has been widely used as a probe for exploring the structure of double-stranded DNA (dsDNA). The flexibility change of DNA helix is important in many of its biological functions but not well underst...

    Authors: Fuchao Jia, Pascal Hébraud, Kezhen Han, Jing Wang, Xingguo Liang and Bo Liu

    Citation: BMC Chemistry 2019 13:68

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  4. Content type: Research article

    The Zika virus (ZIKV) has gained attention for the last few years due to the congenital microcephaly and Guillain–Barre Syndrome that resulted in humans. The non-structural protein-3 (NS3) helicase of ZIKV pla...

    Authors: Syed Lal Badshah, Nasir Ahmad, Ashfaq Ur Rehman, Khalid Khan, Asad Ullah, Abdulrhman Alsayari, Abdullatif Bin Muhsinah and Yahia N. Mabkhot

    Citation: BMC Chemistry 2019 13:67

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  5. Content type: Research article

    Many reports have also shown that the silver nanoparticles can effectively increase the anticancer drug activity and intensely enhance the drug curative effect. The adsorption of 6MP on nanomaterials has recei...

    Authors: Hongjiang Ren, Fan Chen, Xiaojun Li and Yaping He

    Citation: BMC Chemistry 2019 13:55

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  6. Content type: Research article

    The molecular structure of the 2-(4-oxo-3-phenylthiazolidin-2-ylidene) malononitrile (3) is calculated using DFT B3LYP/6-311G(d, p) method. The calculated geometric parameters are in good agreement with the exper...

    Authors: Yahia N. Mabkhot, Salim S. Al-Showiman, A. Barakat, S. M. Soliman, Nabila A. Kheder, Mohammed M. Alharbi, Abdulrahman Asayari, Abdullatif Bin Muhsinah, Asad Ullah and Syed Lal Badshah

    Citation: BMC Chemistry 2019 13:25

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  8. Content type: Research Article

    Theoretical simulations were designed by first principles approach of density functional theory to investigate the structural and optoelectronic properties of different structural classes of perylene; isolated...

    Authors: Mazmira Mohamad, Rashid Ahmed, Amirudin Shaari and Souraya Goumri-Said

    Citation: Chemistry Central Journal 2017 11:125

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  9. Content type: Research article

    Kinetics and a mechanistic investigation of the reaction between dimethyl acetylenedicarboxcylate (DMAD) and saccharin (N–H heterocyclic compound) has been spectrally studied in methanol environment in the presen...

    Authors: Sayyed Mostafa Habibi-Khorassani, Mehdi Shahraki and Mahdieh Darijani

    Citation: Chemistry Central Journal 2017 11:71

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  10. Content type: Research article

    Morphologically controlled synthesis of ferric oxide nano/micro particles has been carried out by using solvothermal route. Structural characterization displays that the predominant morphologies are porous hol...

    Authors: Muhammad Ramzan Saeed Ashraf Janjua, Saba Jamil, Nazish Jahan, Shanza Rauf Khan and Saima Mirza

    Citation: Chemistry Central Journal 2017 11:49

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  11. Content type: Research article

    Coumarin (2H-chromen-2-one) and its derivatives have a wide range of biological and pharmaceutical activities. They possess antitumor, anti-HIV, anticoagulant, antimicrobial, antioxidant, and anti-inflammatory ac...

    Authors: T. Beena, L. Sudha, A. Nataraj, V. Balachandran, D. Kannan and M. N. Ponnuswamy

    Citation: Chemistry Central Journal 2017 11:6

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  12. Content type: Research article

    Novel six organic donor-π-acceptor molecules (D-π-A) used for Bulk Heterojunction organic solar cells (BHJ), based on thienopyrazine were studied by density functional theory (DFT) and time-dependent DFT (TD-D...

    Authors: Mohamed Bourass, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi, Mohammed Hamidi, Si Mohamed Bouzzine and Mohammed Bouachrine

    Citation: Chemistry Central Journal 2016 10:67

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  13. Content type: Research article

    From studies using different experimental techniques employed to determine the presence of aggregates e.g. isothermal titration calorimetry, surface tension, electrical conductivity, UV–Vis spectrophotometry, ...

    Authors: Alejandro Marín-Medina, Juan Carlos García-Ramos, Lena Ruíz-Azuara and Ernesto Carrillo-Nava

    Citation: Chemistry Central Journal 2016 10:65

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  15. Content type: Short report

    The acid corrosion inhibition process of mild steel in 1 M HCl by 4-[(2-amino-1, 3, 4-thiadiazol-5-yl)methoxy]coumarin (ATC), has been investigated using weight loss technique and scanning electron microscopy ...

    Authors: Khalida F. Al-Azawi, Shaimaa B. Al-Baghdadi, Ayad Z. Mohamed, Ahmed A. Al-Amiery, Talib K. Abed, Salam A. Mohammed, Abdul Amir H. Kadhum and Abu Bakar Mohamad

    Citation: Chemistry Central Journal 2016 10:23

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  17. Content type: Research article

    Electrochemical oxidation considered to be among the best methods in waste water desalination and removing toxic metals and organic pesticides from wastewater like Methidathion. The objective of this work is t...

    Authors: Fatima Hachami, Mohamed Errami, Lahcen Bazzi, Mustapha Hilali, Rachid Salghi, Shehdeh Jodeh, Belkheir Hammouti and Othman A. Hamed

    Citation: Chemistry Central Journal 2015 9:59

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  18. Content type: Review

    This review reports on the application of charge density analysis in the field of crystal engineering, which is one of the most growing and productive areas of the entire field of crystallography.

    Authors: Anna Krawczuk and Piero Macchi

    Citation: Chemistry Central Journal 2014 8:68

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  19. Content type: Research article

    During liquid-phase synthesis of γ-Fe2O3 nanoparticles by chemically induced transition in FeCl2 solution, enhancement of surface modification by adding ZnCl2 was attempted by using NaOH. By using transmission el...

    Authors: Longlong Chen, Jian Li, Yueqiang Lin, Xiaodong Liu, Junming Li, Xiaomin Gong and Decai Li

    Citation: Chemistry Central Journal 2014 8:40

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  20. Content type: Research article

    The quantitative structure property relationship (QSPR) for octanol/air partition coefficient (KOA) of polybrominated diphenyl ethers (PBDEs) was investigated. Molecular distance-edge vector (MDEV) index was used...

    Authors: Long Jiao, Mingming Gao, Xiaofei Wang and Hua Li

    Citation: Chemistry Central Journal 2014 8:36

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  21. Content type: Research article

    The majority of well-known inhibitors are organic compounds containing multiple bonds and heteroatoms, such as O, N or S, which allow adsorption onto the metal surface. These compounds can adsorb onto the meta...

    Authors: Hasan R Obayes, Ghadah H Alwan, Abdul Hameed MJ Alobaidy, Ahmed A Al-Amiery, Abdul Amir H Kadhum and Abu Bakar Mohamad

    Citation: Chemistry Central Journal 2014 8:21

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  22. Content type: Research article

    The quasi-classical trajectory calculations for O(1D) + HCl → OH + Cl (R1) and O(1D) + HCl → ClO + H (R2) reactions have been performed at hyperthermal collision energies (60.0, 90.0, and 120.0 kal/mol) on the 1A...

    Authors: Meihua Ge, Huan Yang and Yujun Zheng

    Citation: Chemistry Central Journal 2013 7:177

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  24. Content type: Research article

    In fabrication of ZnO-based low voltage varistor, Bi2O3 and TiO2 have been used as former and grain growth enhancer factors respectively. Therefore, the molar ratio of the factors is quit important in the fabrica...

    Authors: Yadollah Abdollahi, Azmi Zakaria, Raba’ah Syahidah Aziz, Siti Norazilah Ahmad Tamili, Khamirul Amin Matori, Nuraine Mariana Mohd Shahrani, Nurhidayati Mohd Sidek, Masoumeh Dorraj and Seyedehmaryam Moosavi

    Citation: Chemistry Central Journal 2013 7:137

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  25. Content type: Research article

    The anomalous properties of water have been of great interest for generations of scientists. However the impact of small amount of deuterium content which is always present in water has never been explored bef...

    Authors: Vladyslav V Goncharuk, Alina A Kavitskaya, Iryna Yu Romanyukina and Oleksandr A Loboda

    Citation: Chemistry Central Journal 2013 7:103

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  26. Content type: Research article

    The complexity of reactions and kinetic is the current problem of photodegradation processes. Recently, artificial neural networks have been widely used to solve the problems because of their reliable, robust,...

    Authors: Yadollah Abdollahi, Azmi Zakaria, Mina Abbasiyannejad, Hamid Reza Fard Masoumi, Mansour Ghaffari Moghaddam, Khamirul Amin Matori, Hossein Jahangirian and Ashkan Keshavarzi

    Citation: Chemistry Central Journal 2013 7:96

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  27. Content type: Research article

    The title compound belongs to the class of bis-azomethine pigments. On thebasis of comparative studies on similar structures, insight into the complexexcited state dynamics of such compounds has been gained. I...

    Authors: Anife Ahmedova, Svilen P Simeonov, Vanya B Kurteva and Liudmil Antonov

    Citation: Chemistry Central Journal 2013 7:29

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  28. Content type: Research article

    The proton at position 5 of imidazo[1,2-a]pyridines substituted with an angular electron withdrawing group (EWG) at position 3, shows an unusual downfield chemical shift, which is usually explained in terms of...

    Authors: Manuel Velázquez-Ponce, Héctor Salgado-Zamora, Hugo A Jiménez-Vázquez, Maria Elena Campos-Aldrete, Rogelio Jiménez, Humberto Cervantes and Taibi Ben Hadda

    Citation: Chemistry Central Journal 2013 7:20

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  29. Content type: Software

    Particle tracking passive microrheology relates recorded trajectories of microbeads, embedded in soft samples, to the local mechanical properties of the sample. The method requires intensive numerical data pro...

    Authors: Timo Maier and Tamás Haraszti

    Citation: Chemistry Central Journal 2012 6:144

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  31. Content type: Research article

    Recently, various metallocenes were synthesized and analyzed by biological activity point of view (such as antiproliferative properties): ruthenocenes, cobaltoceniums, titanocenes, zirconocenes, vanadocenes, n...

    Authors: Adrian Riviş, Nicoleta G Hădărugă, Zeno Gârban and Daniel I Hădărugă

    Citation: Chemistry Central Journal 2012 6:129

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  32. Content type: Research article

    The optimization processes of photo degradation are complicated and expensive when it is performed with traditional methods such as one variable at a time. In this research, the condition of ortho-cresol (o-creso...

    Authors: Yadollah Abdollahi, Azmi Zakaria, Abdul Halim Abdullah, Hamid Reza Fard Masoumi, Hossein Jahangirian, Kamyar Shameli, Majid Rezayi, Santo Banerjee and Tahereh Abdollahi

    Citation: Chemistry Central Journal 2012 6:88

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  33. Content type: Research article

    Dibenzo-18-crown-6 (DB18C6) exhibits the binding selectivity for alkali metal cations in solution phase. In this study, we investigate the main forces that determine the binding selectivity of DB18C6 for the m...

    Authors: Chang Min Choi, Jiyoung Heo and Nam Joon Kim

    Citation: Chemistry Central Journal 2012 6:84

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  34. Content type: Research article

    Imidazo[1,2-a]pyridines and pyrimidines are important organic fluorophores which have been investigated as biomarkers and photochemical sensors. The effect on the luminescent property by substituents in the he...

    Authors: Stephania Velázquez-Olvera, Héctor Salgado-Zamora, Manuel Velázquez-Ponce, Elena Campos-Aldrete, Alicia Reyes-Arellano and Cuauhtémoc Pérez-González

    Citation: Chemistry Central Journal 2012 6:83

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  35. Content type: Research article

    Chitosan is the second most abundant nitrogen containing biopolymer in nature, obtained from the shells of crustaceans, particularly crabs, shrimp and lobsters, which are waste products of seafood processing i...

    Authors: Velyana Georgieva, Dilyana Zvezdova and Lyubomir Vlaev

    Citation: Chemistry Central Journal 2012 6:81

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  36. Content type: Research article

    Oxygen-base (O-base) oxidation in protein backbone is important in the protein backbone fragmentation due to the attack from reactive oxygen species (ROS). In this study, an alanine peptide was used model syst...

    Authors: Hsing-Yu Chen, Soonmin Jang, Tzyy-Rong Jinn, Jia-Yaw Chang, Hsiu-Feng Lu and Feng-Yin Li

    Citation: Chemistry Central Journal 2012 6:33

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  37. Content type: Research article

    Due to the extensive use of phosphates in industry, agriculture and households, the phosphate - γ-alumina interactions are important for understanding its detrimental contribution to eutrophication in lakes an...

    Authors: Ting-Ting Zheng, Zhong-Xi Sun, Xiao-Fang Yang and Allan Holmgren

    Citation: Chemistry Central Journal 2012 6:26

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  38. Content type: Research article

    In order to develop colloidal drug carriers with desired properties, it is important to determine physico-chemical characteristics of these systems. Bile salt mixed micelles are extensively studied as novel dr...

    Authors: Dejan M Ćirin, Mihalj M Poša and Veljko S Krstonošić

    Citation: Chemistry Central Journal 2011 5:89

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  40. Content type: Research article

    Considering the pharmaceutical importance of hydantoins, a set of 25 derivatives of phenytoin, nirvanol and 5-methyl-5-phenylhydantoin, the lipophilicities of which were gradually increased by the introduction...

    Authors: Nemanja Trišović, Nataša Valentić and Gordana Ušćumlić

    Citation: Chemistry Central Journal 2011 5:62

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  41. Content type: Research article

    The low-temperature heat capacities of nickel titanate (NiTiO3), cobalt titanate (CoTiO3), and cobalt carbonate (CoCO3) were measured between 2 and 300 K, and thermochemical functions were derived from the result...

    Authors: Stephan Klemme, Wilfried Hermes, Mathias Eul, Clazina H Wijbrans, Arno Rohrbach and Rainer Pöttgen

    Citation: Chemistry Central Journal 2011 5:54

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  43. Content type: Research article

    Electrodeposition of Ni-Co-Fe-Zn alloys was done in a chloride ion solution with the presence and absence of a Permanent Parallel Magnetic Field (PPMF). The PPMF was applied parallel to the cathode surface. Th...

    Authors: Mehdi Ebadi, Wan Jeffrey Basirun, Yatimah Alias and Mohammadreza Mahmoudian

    Citation: Chemistry Central Journal 2010 4:14

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  44. Content type: Research article

    In this paper, the kinetics of oxidation of [CrIII(HIDA)(Val)(H2O)2]+ and [CrIII(HIDA)(Arg)(H2O)2]+ (HIDA = iminodiacetic acid, Val = DL-valine and Arg = L-arginine) were studied. The choice of ternary complexes ...

    Authors: Hassan A Ewais, Faris D Dahman and Ahmed A Abdel-Khalek

    Citation: Chemistry Central Journal 2009 3:3

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  45. Content type: Research article

    Gram-negative bacteria use periplasmic-binding proteins (bPBP) to transport nutrients through the periplasm. Despite immense diversity within the recognized substrates, all members of the family share a common...

    Authors: Dennis R Livesay, Dang H Huynh, Sargis Dallakyan and Donald J Jacobs

    Citation: Chemistry Central Journal 2008 2:17

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  47. Content type: Research article

    The anticancer properties of cisplatin and palladium(II) complexes stem from the ability of the cis-MCl2 fragment to bind to DNA bases. However, cisplatin also interacts with non-cancer cells, mainly through bond...

    Authors: Pradip Kumar Ghosh, Sushanta Saha and Ambikesh Mahapatra

    Citation: Chemistry Central Journal 2007 1:23

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  48. Content type: Research article

    The prediction of ligand binding or protein structure requires very accurate force field potentials – even small errors in force field potentials can make a 'wrong' structure (from the billions possible) more ...

    Authors: Alexei V Finkelstein

    Citation: Chemistry Central Journal 2007 1:21

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  49. Content type: Commentary

    It is always promising and enticing to start a new editorial task in the scientific arena and the launch of the Chemistry Central Journal is no exception. The different thematic sections making up this journal...

    Authors: Eduardo A Castro

    Citation: Chemistry Central Journal 2007 1:6

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