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Spectrochimica acta
Pergamon
Spectrochimica acta

Pergamon

1386-1425

Spectrochimica acta/Journal Spectrochimica acta
正式出版
收录年代

    Development of lucigenin-N-hydroxyphthalimide chemiluminescence system and its application to sensitive detection of Co2+

    Ji, KaixiangLiu, FangshuoBarkae, Tesfaye HailemariamQuan, Shuai...
    7页
    查看更多>>摘要：N-hydroxyphthalimide (NHPI) is an efficient organic catalyst and an important chemical raw material which can be used as an intermediate in organic synthesis of drugs and pesticides. In this study, NHPI has been used as a coreactant of lucigenin chemiluminescence (CL) for the first time. The CL of the developed system is significantly enhanced in the presence of Co2+. Therefore, we developed a novel lucigenin-NHPI CL method coupled with flow injection analysis for the sensitive, precise, and selective determination of Co2+. The linear range of this method is 1-1000 nM, and the detection limit is 67 pM (S/N = 3). In addition, this method has a good selectivity for Co2+. It has been applied to the detection of Co2+ in lake water, and the standard recovery rate is 95.9-103.2%, indicating that the method is feasible.
      原文链接:
    • NSTL
    • Elsevier

    New porphyrin photosensitizers-Synthesis, singlet oxygen yield, photophysical properties and application in PDT

    Wang, XiaorongLv, HuiSun, YingkaiZu, Guoping...
    7页
    查看更多>>摘要：This research on porphyrin-based photosensitizer system has a very important theoretical and practical significance in the photodynamic therapy (PDT) treatment of cancer. Based on this, in this article, a series of porphyrin derivatives were first designed and synthesized, and a "push-pull " porphyrin photosensitizer with two symmetrical ethanethioate groups was finally constructed. Based on the characterization of their chemical structures (H-1 and C-13 NMR, MS, IR, and UV-Vis spectroscopy) and the use of the density functional theory (DFT) and time dependent DFT (TDDFT) to address the nature of the excited states as well as the dark/phototoxicity, the results have indicated the relationship between the porphyrin structure and properties. The experimental and theoretical UV-Vis absorption properties of porphyrins were discussed. The four porphyrin compounds synthesized all demonstrated a high capacity to generate singlet oxygen under long-wavelength (590 nm) light and low dark toxicity. Compared with the conventional porphyrin photosensitizers, P4 with a CT band (from 580 to 750 nm) is beneficial to the penetration of the light, presenting the potential for applications in PDT.
      原文链接:
    • NSTL
    • Elsevier

    All-small-molecule organic solar cells with high fill factor and enhanced open-circuit voltage with 18.25 % PCE: Physical insights from quantum chemical calculations

    Janjua, Muhammad Ramzan Saeed Ashraf
    7页
    查看更多>>摘要：All-small-molecule acceptors (ASMAs) are considered as well-defined molecular structures with good sustain ability and processability. Although these acceptor molecules did not exhibit high power conversion efficiency (PCE) as compared to polymer solar cells, a lot of research is yet to be focused on the development of ASMAs. In this report, a new series of ASMAs (ZMY1 to ZMY5) has been designed by end-capped alteration of recently synthesized ZR-Si4 molecule (PCE = 10.10%). Photovoltaic, optoelectronic and geometric parameters of the newly designed molecules have been investigated through DFT and TD-DFT approaches. Additionally, power conversion efficiency along with fill factor (FF) percentage has been computed for the designed molecules. Enhanced open circuit voltage (V-oc) allows PCE at around 18.25 % which is better than the experimentally synthesized ZR-Si4 molecule. Additionally, the high mobility of electrons and hole between metal electrodes also suggested that the designed molecules are effective candidates for the development of efficient organic solar cell (OSC) applications.
      原文链接:
    • NSTL
    • Elsevier

    Protamine gold nanoclusters - based fluorescence turn-on sensor for rapid determination of Trinitrotoluene (TNT)

    Bener, MustafaSen, Furkan BurakApak, Resat
    7页
    查看更多>>摘要：Determination of trace residues of 2,4,6-trinitrotoluene (TNT) is an analytical challenge as it is widely used in military, mining industry, civilian and counter-terrorism purposes. In this study, a gold nanocluster based turn on fluorescence sensor was developed for TNT determination. A one-pot approach was used to synthesize the fluorescent protamine stabilized gold nanoclusters (PRT-AuNC). The proposed turn-on fluorometric sensor relies on the aggregation-induced emission enhancement mechanism. As a result of the donor-acceptor interaction between the non-fluorescent Meisenheimer anion formed from TNT and the amino groups of weakly fluorescent protamine, the PRT-AuNCs aggregate and an accompanying enhancement in fluorescence intensity is observed with a large Stokes shift (lambda(ex) = 300 nm, lambda(em) = 600 nm). The fluorescence enhancement increased linearly with TNT with an LOD of 12.44 mu g/L. Similar energetic materials, common soil ions and explosive camouflage materials did not affect the proposed fluorometric sensing method. TNT in artificially contaminated soil was determined, and the results were comparable to those obtained by the HPLC-DAD system. The proposed turn-on sensor is an important tool for simple, fast, rapid and sensitive TNT determination, and has a potential to be converted to a kit format.
      原文链接:
    • NSTL
    • Elsevier

    An innovative spectrofluorimetric approach for determination of azelaic acid in bulk and pharmaceutical formulation through derivatization with 9-chloromethylanthracene

    Hamid, Mohamed A. AbdelMabrouk, Mokhtar M.Hammad, Sherin F.Mahana, Mohamed H....
    5页
    查看更多>>摘要：A novel simple, selective and accurate spectrofluorimetric method has been developed for quantitation of azelaic acid (AZA) in bulk and cream dosage form. The proposed method depended on the reaction between dicarboxylic moiety of AZA and 9-chloromethylanthracence to produce fluorescent derivative that exhibited maximum fluorescence intensity at 413 nm after being excited at 365 nm. The numerous experimental parameters which affect the reaction product and stability have been carefully studied and optimized. The linearity of the calibration curve constructed has been 0.5-15 lg/ml (y = 26.864x + 31. 793, r(2) = 0.9999) with 0.143 and 0.434 lg/ml as LOD and LOQ values respectively. The method was used for quantitation of AZA in cream dosage form and the results showed that there was no interference from the cream excipients, the mean % recovery was 100.547% +/- 0.775. (C) 2022 Elsevier B.V. All rights reserved.
      原文链接:
    • NSTL
    • Elsevier

    Carbon monoxide

    Ryzner, StanislawMalicka, Marzena I.Heays, Alan N.Field, Robert W....
    16页
    查看更多>>摘要：Ro-vibronic spectra of the 13C18O carbon monoxide isotopologue were obtained with (i) emission spectroscopy in the visible region using a Bruker IFS 125HR spectrometer (University of Rzeszow) and (ii) vacuum-ultraviolet absorption spectroscopy using the wave-front-division spectrometer on the DESIRS beamline of the SOLEIL synchrotron. A deperturbation analysis of the 13C18O A1P(v = 1) level was conducted from 598 observed transitions from the B1R' - A1P(0, 1), C1R' - A1P(0, 1), A1P - X1R'(1, 0), B1R' - X1R'(0, 0), C1R' - X1R'(0, 0), I1R-- X1R'(2, 0) bands and five further nominally forbidden bands. An effective Hamiltonian and term-value fitting analysis was implemented. Consequently, 135 parameters were floated: 23 molecular parameters, including molecular constants for A1P(v = 1), I1R-(v = 2), d3D (v = 6), e3R-(v = 3) and D1D(v = 1); rotation-electronic (L-uncoupling) mixing of A1P(v = 1) ti [D1D (v = 1), I1R-(v = 1), I1R-(v = 2)] and spin-orbit interaction parameters for A1P(v = 1) ti [d3D(v = 6), e3R-(v = 3), aMODIFIER LETTER PRIME3R'(v = 11)]; the spin-orbit/spin-electronic/L-uncoupling a3P(v = 12) ti d3D(v = 5) and spin-orbit a3P(v = 12) ti [D1D(v = 1), I1R-(v = 2)] perturbation parameters; as well as 112 ro-vibronic term values of B1R'(v = 0) up to J = 50 and C1R'(v = 0) up to J = 60. The significant, indirect a3P(v = 1 2) ti [e3R-(v = 2, 3), d3D(v = 5, 6)] ti A1P(v = 1) spin-orbit/spin-electronic/L-uncoupling interaction and a3P(v = 12) ti [I1R-(v = 2), D1D(v = 1)] ti A1P(v = 1) spin-orbit/L-uncoupling interaction were detected and analysed. Thus, this study, using modern experimental methods and deperturbation analysis, leads to a much improved description in terms of molecular constants and interaction parameters, compared to previous studies of the A1P(v = 1) energy region in the 13C18O isotopologue. This research is
      原文链接:
    • NSTL
    • Elsevier

    A miniature chemiluminescence spectrometric system induced by atmosphere microplasma jet to avoid using hydrogen peroxide and catalyst

    Li, WeiZhao, YongZhou, HanCai, Yi...
    7页
    查看更多>>摘要：A miniature luminol chemiluminescence system based on atmosphere microplasma is proposed for detection without any catalysts. In our research, atmosphere microplasma jet is employed to oxidize luminol and produce chemiluminescence instead of H2O2. The transport of OH radicals to the plasma-liquid interface and induce the chemiluminescence. The weight of the system is only 3.6 kg (including a 1.2 kg laptop), and the power consumption of the microplasma is only 0.045 W. The mechanism of luminol chemiluminiscence induced by microplasma jet and generation of microplasma jet are investigated in this study. A 1 mL sample solution is sufficient for trace 3-NPA determination within an analysis time of 6 min. In the range of 0.03-10 mg L-1, 3-NPA can be quantitatively analyzed along with a detection limit of 0.008 mg L-1. In addition, the proposed system is employed for real-world samples detection, including water samples, brown sugar and tainted sugarcane, which demonstrates the reliability and practical feasibility of the detection method. (C) 2022 Elsevier B.V. All rights reserved.
      原文链接:
    • NSTL
    • Elsevier

    Multi-responsive luminescent sensitivities of two pillared-layer frameworks towards nitroaromatics, Cr2O72-, MnO4-and PO43-anions

    Guo, RunzhongWang, SuhanShuai, YutianLin, Qin...
    9页
    查看更多>>摘要：Combining Zn(II) with two dicarboxylic acids of different length and functional groups results in the 2D metalcarboxylate layer of different size and shape, which are further connected by the same bis-pyridyl-bis-amide pillar to afford two 4-fold and 3-fold interpenetrating pillared-layer networks (1 and 2). Luminescent properties of 1 and 2 have been systematically investigated and demonstrated multi-responsive luminescent sensitivities. 1 can be used for highly sensitive detection of nitroaromatics. In particular, 2 can be used turn-off sensing towards Cr2O72- and MnO4- anions as well as turn-on sensing towards PO43- anion in aqueous solution with high sensitivity and remarkable recyclability. The sensing mechanism is also discussed.
      原文链接:
    • NSTL
    • Elsevier

    High-resolution spectroscopy of C2H3D: Line positions and energy structure of the strongly interacting nu(10), nu(7), nu(8), nu(4) and nu(6) bands

    Ulenikov, O. N.Bekhtereva, E. S.Gromova, O. V.Morzhikova, Yu. B....
    20页
    查看更多>>摘要：High resolution infrared spectra of C2H3D were recorded in the region of 550-1950 cm(-1) with a Bruker IFS125 HR Fourier transform infrared spectrometers and rotational structures of the five lowest strongly interacting nu(10), nu(7), nu(8), nu(4) and nu(6) bands were analyzed. The number of about 28000 transitions (4200/6800/5600/5000/6400 for the bands nu(10), nu(7), nu(8), nu(4) and nu(6)) with J(max) = 40 and K-a(max) = 20 were assigned to these five bands. The weighted fit of 3990 upper energy values obtained from the experimentally recorded transitions was made with a Hamiltonian which takes into account resonance interactions between all studied bands as well as with the sixth nu(3) band which was considered in this case as a "dark" one. As the result of analysis, a set of 279 fitted parameters was obtained which reproduces the initial 3990 upper "experimental" ro-vibrational energy values with the d(rms) = 1.7 x 10(-4) cm(-1); the initial non-saturated, unblended and not very weak of 28000 assigned transitions are reproduced with the d(rms) = 2.2 x 10(-4) cm(-1). Ground state parameters of the C2H3D molecule were improved as well. (C) 2022 Elsevier B.V. All rights reserved.
      原文链接:
    • NSTL
    • Elsevier

    Effects of substitution and conjugation on ESIPT behavior of Schiff base derivatives

    Li, XiaoxiaoWang, QiujieSong, LiyingZhao, Jinfeng...
    10页
    查看更多>>摘要：The excited-state proton transfer (ESIPT) behavior of organic fluorophores has been of great interest due to their unique photophysical properties. In this work, we have focused on the excited state kinetic behavior of four Schiff base organic molecules (i.e. CPMP, CPMMP, CPMDP, and CPMN) in acetonitrile solvents. The electron-donating of substituents and conjugation effects on the photophysical properties and ESIPT process of the Schiff base derivatives are investigated by theoretical methods. The results show that the hydrogen bonds are all enhanced in the excited states, which could provide the impetus for the ESIPT process. To further reveal the reaction process of ESIPT, we have scanned the potential energy curves of the ESIPT process and compared the potential barriers. It is found that the stronger the substituents give electrons and the conjugation effects the more favorable the excited state proton transfer (ESIPT). In the meantime, this study paves the way for the development of new Schiff base materials based on ESIPT. (C) 2022 Published by Elsevier B.V.
      原文链接:
    • NSTL
    • Elsevier