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38,694 Newest Publications about the topic concentration


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Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case study

19-Jan-2018 | Jesús Jover, Physical Chemistry Chemical Physics, 2018

DFT calculations are widely used for computing properties, reaction mechanisms and energy profiles in organometallic reactions. A qualitative agreement between the experimental and the calculated results seems to usually be enough to validate a computational methodology but recent advances in ...


Controlling the magnetic and optical responses of a MoS2 monolayer by lanthanide substitutional doping: a first-principles study

19-Jan-2018 | Cecil N. M. Ouma; Sobhit Singh; Kingsley O. Obodo; George O. Amolo; Aldo H. Romero, Physical Chemistry Chemical Physics, 2018

The electronic, magnetic and optical properties of lanthanide substitutional doping (∼2% concentration) on the MoS2 monolayer have been investigated within the density functional theory formalism together with the Hubbard correction (DFT+U). The dopants investigated include Ce, Eu, Gd, Lu and Tm. ...


Cannabis through the looking glass: chemo- and enantio-selective separation of phytocannabinoids by enantioselective ultra high performance supercritical fluid chromatography

19-Jan-2018 | G. Mazzoccanti; O. H. Ismail; I. D’Acquarica; C. Villani; C. Manzo; M. Wilcox; A. Cavazzini; F. Gasparrini, Chemical Communication, 2018

By using the Inverted Chirality Columns Approach (ICCA) we have developed an enantioselective UHPSFC method to determine the enantiomeric excess (ee) of (−)-Δ9-THC in medicinal marijuana (Bedrocan®). The ee was high (99.73%), but the concentration of the (+)-enantiomer (0.135%) was not ...


Stimuli-responsive circularly polarized luminescence from an achiral perylenyl dyad

19-Jan-2018 | Junfeng Li; Chenglong Yang; Xuelei Peng; Qi Qi; Yonghua Li; Wen-Yong Lai; Wei Huang, Organic & Biomolecular Chemistry, 2018

Stimuli-responsive circularly polarized luminescence (CPL) was successfully achieved through fine-tuning the conformation of a perylenyl dyad by using external stimuli. Monomer CPL was clearly detected from an inherent achiral monochromophore system in a simple perylene–carbazole dyad, and ...


3D electrochemical and ion current imaging using scanning electrochemical–scanning ion conductance microscopy

18-Jan-2018 | Yasufumi Takahashi; Hiroki Ida; Yoshiharu Matsumae; Hirokazu Komaki; Yuanshu Zhou; Akichika Kumatani; Makoto Kanzaki ..., Physical Chemistry Chemical Physics, 2018

Local cell-membrane permeability and ionic strength are important factors for maintaining the functions of cells. Here, we measured the spatial electrochemical and ion concentration profile near the sample surface with nanoscale resolution using scanning electrochemical microscopy (SECM) combined ...


A New Metal-free Catalytic Degradation System with Carbon Dots for Thymol Blue

17-Jan-2018 | Cui Zheng; Xueqin An; Tianxiang Yin, New Journal of Chemistry, 2018

New metal-free catalytic systems with carbon dots (CDs) have been presented for the degradation of thymol blue at room temperature. It was found that degradation efficiency was influenced by the pH value, the concentration of H2O2 and the addition of KI. The degradation mechanisms of catalytic ...


Kinetic and mechanistic studies on adsorption of Cu(II) in aqueous medium onto montmorillonite K10 and its modified derivative

17-Jan-2018 | Himani Medhi; Krishna G. Bhattacharyya, New Journal of Chemistry, 2018

Copper is a widely used metal and known as a micronutrient; however, it is poisonous to the living organisms and has a permissible concentration of 1.3 mg L−1 in aqueous solutions. Thus, it is necessary to provide a suitable, environmentally friendly, and cost-effective copper removal process to ...


An inert 3D emulsification device for individual precipitation and concentration of amorphous drug nanoparticles

16-Jan-2018 | Thomas Lorenz; Stanislav Bojko; Heike Bunjes; Andreas Dietzel, Lab on a Chip, 2018

Nanosizing increases the specific surface of drug particles, leading to faster dissolution inside the organism and improving the bioavailability of poorly water-soluble drugs. A novel approach for the preparation of drug nanoparticles in water using chemically inert microfluidic emulsification ...


Concentration Dependent Supramolecular Interconversions of Triptycene-Based Cubic, Prismatic, and Tetrahedral Structures

16-Jan-2018 | sourav chakraborty; Kevin R Endres; Ranajit Bera; Lukasz Wojtas; Charles N. Moorefield; Mary Jane Saunders; Neeladri ..., Dalton Transactions, 2018

The quantitative, single step, self-assembly of a shape-persistent, three-dimensional C3v-symmetric, triptycene-based tris-terpyridinyl ligand initially gives a platonic-based cubic architecture, which was unequivocally characterized by 1D and 2D NMR spectroscopy, mass spectrometry, and single ...


Photochemical transformation of dimethyl phthalate (DMP) with N (III)(H2ONO+/HONO/NO2−) in the atmospheric aqueous environment

16-Jan-2018 | Yu Lei; Chengzhu Zhu; Jun Lu; Rong Chen; Jun Xiao; Shuchuan Peng, Photochemical & Photobiological Sciences, 2018

The photochemical transformation of dimethyl phthalate (DMP) with N(III)(NO2-/HONO/H2ONO+) was investigated under 365 nm steady-state irradiation and 355 nm laser flash photolysis (LFP) techniques. The results showed that N(III) concentration, DMP initial concentration and pH values all strongly ...


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