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Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry

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https://www.readbyqxmd.com/read/28070086/conformational-study-and-vibrational-spectroscopic-ft-ir-and-ft-raman-analysis-of-an-alkaloid-borreverine-derivative
#1
Swapnil Singh, Harshita Singh, T Karthick, Poonam Tandon, Dattatraya H Dethe, Rohan D Erande
In the present work, structural and spectroscopic investigations were carried out on a borreverine derivative. Borreverine is a class of alkaloid as well a natural antimalarial drug extracted from Borreria verticillata. With the aim of finding possible conformers, a detailed conformational analysis of a borreverine derivative was conducted utilizing density functional theory employing the B3LYP/6-31G(d,p) method. The crystallographic geometry was used for full geometry optimization, followed by a conformational analysis...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070085/application-of-terahertz-time-domain-spectroscopy-in-detecting-gaps-with-different-widths
#2
Rima Bao, Zhikui Wu, Fang Wang, Xinyang Miao, Chengjing Feng
The characterization of fractures is of vital importance for studies in many industries. In the present work, we used terahertz reflection measurements to identify simulated gaps of different widths that resemble fractures. The time interval between pulses (Δt) was proportional to the distance between the interfaces. In addition, fast Fourier transform (FFT) corresponding to the waveforms was also employed to distinguish the gaps. The widths in frequency were found to be inversely proportional to that of the gaps...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070084/a-label-free-and-turn-on-fluorescence-strategy-for-dna-detection-with-a-wide-detection-range-based-on-exonuclease-iii-aided-target-recycling-amplification
#3
Hualin Yang, Xiaoda Song, Baomiao Ding, Zhenshun Li, Xingping Zhang
In the present work, a simple and sensitive turn-on fluorescence method for DNA detection was developed. It was explored based on the N-methyl mesoporphyrin IX (NMM)/G-quadruplex DNA system as a reporter and exonuclease III (Exo III)-aided target recycling amplification to ensure sensitivity. Our method showed an ultra-wide detection range from 10 fM to 100 nM with a low linear detection limit of 0.76 nM. It also had excellent selectivity in a selectivity experiment.
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070083/facile-and-sensitive-detection-of-carbofuran-carbamate-pesticide-in-rice-and-soybean-using-coupling-reaction-based-surface-enhanced-raman-scattering
#4
Thanyada Sukmanee, Kanet Wongravee, Sanong Ekgasit, Chuchaat Thammacharoen, Prompong Pienpinijtham
In this research, a sensitive and selective method for detecting one of the most toxic insecticides, "carbofuran", in rice and soybean is presented. This method is based on the coupling reaction of diazonium ion combined with a surface-enhanced Raman scattering technique. Diazonium ion produced from p-aminothiophenol reacts specifically with carbofuran phenol from the hydrolysis of carbofuran. The generated azo compounds attach to the surface of silver nanoparticles via the Ag-S bond. Therefore, a strong Raman intensity can be obtained...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070082/evaluation-of-structural-isomers-molecular-interactions-reactivity-descriptors-and-vibrational-analysis-of-tretinoin
#5
T Karthick, Poonam Tandon, Swapnil Singh
Tretinoin is known to be a pharmaceutical drug for treating acne vulgaris, keratosis pilaris, and acute promyelocytic leukemia. In order to reveal the possible conformers of tretinoin, the energies of all the conformers through rotational bonds have been evaluated by systematic rotor search analysis. The intramolecular interactions ranging from strong hydrogen bonds to weak van der Waals forces present in tretinoin have been distinguished with the help of electron density mapping and wavefunction analysis. The global reactivity descriptors and Fukui functions of tretinoin have been calculated and discussed...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070081/structural-discrimination-between-a%C3%AE-1-40-and-a%C3%AE-1-42-peptides-in-films-with-vibrational-circular-dichroism-spectroscopy
#6
Toshinori Morisaku, Hiroharu Yui
The secondary structure of full-length Aβ(1-40) and Aβ(1-42) peptides in films has been investigated with IR and vibrational circular dichroism (VCD) spectroscopy. From IR spectra, it is shown that the prepared films of Aβ(1-40) and Aβ(1-42) mainly comprise the β-sheet conformation that is characteristic of aggregated and fibrous Aβ. In the VCD spectra, the Aβ(1-42) film shows an intense and sharp band with left-handed optical activity at around 1625 cm(-1), while the Aβ(1-40) film shows a weak and broad band with right-handed activity at around 1630 cm(-1)...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070080/%C3%AE-melt-structure-of-1-3-dipalmitoyl-2-oleoyl-sn-glycerol-pop-under-a-thermal-thawing-process-studied-by-infrared-spectroscopy
#7
Hiroharu Yui, Yuuki Isozaki, Toshinori Morisaku
The temperature thawing, as called tempering, of triacylglycerols (TAGs) is an important processing method in food productions, such as chocolates, cream, confections, and spreads. Especially, melt-mediation by temperature thawing is famous in chocolate production for controlling the polymorphic crystalline forms and accelerating crystallization. In the present study, we investigated the α-melt structure of 1,3-dipalmitoyl-2-oleoyl-sn-glycerol (POP), one of the major continuants of cacao butter, under a phase transition from its melt to γ-crystal with in-situ attenuated total reflection-infrared (ATR-IR) spectroscopy...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070079/improvement-of-spatial-resolution-for-nonlinear-raman-microscopy-by-spatial-light-modulation
#8
Motohiro Banno, Konosuke Onda, Hiroharu Yui
The development of a stimulated Raman scattering (SRS) microscope with a wavefront modulation unit is presented. In the apparatus, two beams for introducing the SRS process were focused into the sample with an objective lens. In the pathway of the Stokes beam, which is one of the two incident beams, a spatial light modulator (SLM) was located. Using the SLM, the wavefront of the Stokes beam was modulated to make the shape of the focal point a concentric circular pattern. By this spot shaping technique, the area where the SRS signal generates is restricted...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070078/atr-ft-ir-and-nir-auto-correlation-spectroscopic-analysis-of-powder-blending-uniformity-of-low-content-magnesium-stearate-and-potato-starch
#9
Yusuke Hattori, Makoto Otsuka
Here, we report on near-infrared and ATR/FT-IR spectroscopic measurements of magnesium stearate and potato starch powder blends. In the pharmaceutical and food industries, magnesium stearate is commonly used as a supplement in powder blends or granules for the purpose of lubrication and to minimize aggregation and adherence. However, excessive blending of magnesium stearate (MgSt) may lead to unwanted effects, and more particularly during the manufacturing of products. Upon blending, the IR bands due to both CH symmetric and anti-symmetric stretching modes decreased and displayed a frequency shift to higher wavenumber as the blending duration increased...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070077/voltage-induced-infrared-absorption-from-a-spin-cast-thin-film-of-ferroelectric-poly-vinylidene-fluoride-co-trifluoroethylene-p-vdf-trfe
#10
Kenji Takashima, Yukio Furukawa
Voltage-induced infrared spectra of annealed spin-cast thin films of ferroelectric poly(vinylidene fluoride-co-trifluoroethylene) (P(VDF-TrFE)) (molar ratio, 3:1) were measured in a stepwise cyclic external electric field. Most of the observed infrared bands originated from the β ferroelectric crystalline phase. The voltage-induced spectral changes were decomposed into zeroth- (original), first-, and second-derivative spectra, and were attributed to the rotational motions of the polymer chains and the vibrational Stark effect...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070076/quantitative-determination-of-total-amino-acids-based-on-surface-enhanced-raman-scattering-and-ninhydrin-derivatization
#11
Huimin Sui, Lei Chen, Xiao Xia Han, Xiaolei Zhang, Xiaolei Wang, Bing Zhao
In the present study, we propose a simple and sensitive method for the determination of total amino acids without any separation steps. The procedure described here is based on the ninhydrin derivatization reaction with amino acids, followed by surface-enhanced Raman scattering (SERS) measurements of the producing mixtures. A good linear correlation of excess ninhydrin SERS signals and the log values of the total amino acids concentrations is obtained; the detection limit of the method is 4.3 × 10(-9) mol L(-1)...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070075/electrocatalytic-reduction-of-free-chlorine-at-an-n-n-diethylaniline-grafted-carbon-electrode-for-improved-sensitivity-in-amperometric-detection
#12
Kotaro Morita, Naoki Hirayama
The electrocatalytic activity of an N,N-diethylaniline-grafted carbon (DEA/PFC) electrode was utilized to improve the sensitivity in the cathodic detection of free chlorine. Voltammetric curves showed a well-defined cathodic peak of free chlorine on DEA/PFC, lowering the overlap with that of dissolved oxygen. Amperometric measurements were applied for the determination of free chlorine for a concentration range of 4 orders of magnitude. The results showed that measurements of the amperometric response with DEA/PFC can be used as the basis for a simple, accurate, and rapid method to determine free chlorine...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070074/raman-spectroscopy-of-pharmaceutical-cocrystals-in-nanosized-pores-of-mesoporous-silica
#13
Ryuichi Ohta, Yuko Ueno, Katsuhiro Ajito
The Raman spectroscopy of pharmaceutical cocrystals based on caffeine and oxalic acid in nanosized pores of mesoporous silica has been demonstrated at various molar amounts. The Raman peak shifts of caffeine molecules express the existence of pharmaceutical cocrystals in mesoporous silica. The molar amount dependence of the peak shifts describes that caffeine and oxalic acid cocrystallized on the surface of the nanosized pores and piled up layer by layer. This is the first report that shows the Raman spectroscopy is a powerful tool to observe the synthesis of pharmaceutical cocrystals incorporated in the nanosized pores of mesoporous silica...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070073/in-line-and-real-time-monitoring-of-resonant-acoustic-mixing-by-near-infrared-spectroscopy-combined-with-chemometric-technology-for-process-analytical-technology-applications-in-pharmaceutical-powder-blending-systems
#14
Ryoma Tanaka, Naoyuki Takahashi, Yasuaki Nakamura, Yusuke Hattori, Kazuhide Ashizawa, Makoto Otsuka
Resonant acoustic(®) mixing (RAM) technology is a system that performs high-speed mixing by vibration through the control of acceleration and frequency. In recent years, real-time process monitoring and prediction has become of increasing interest, and process analytical technology (PAT) systems will be increasingly introduced into actual manufacturing processes. This study examined the application of PAT with the combination of RAM, near-infrared spectroscopy, and chemometric technology as a set of PAT tools for introduction into actual pharmaceutical powder blending processes...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070072/effect-of-casting-solvent-on-interfacial-molecular-structure-and-proton-transport-characteristics-of-sulfonated-polyimide-thin-films
#15
Yuki Nagao, Karthik Krishnan, Ryosuke Goto, Mitsuo Hara, Shusaku Nagano
Two sulfonated polyimide (SPI) thin films were prepared with water and THF/water mixed solvents, respectively. The SPI thin film prepared with THF/water showed more than 5 times higher proton conductivity than that prepared with water mixed solvent at low relative humidity (RH) and 298 K. In this study, polarized optical microscopy (POM), grazing incidence small angle X-ray scattering (GISAXS), and p-polarized multiple angle incidence resolution spectrometry (pMAIRS) were carried out to investigate liquid crystalline (LC) optical ordered structure, organized structure, and molecular orientation...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070071/simultaneous-determination-of-warfarin-and-aspirin-contents-in-biological-fluids-using-excitation-emission-matrix-fluorescence-coupled-with-a-second-order-calibration-method
#16
Rong Xiao, Hai-Long Wu, Yong Hu, Xiao-Li Yin, Hui-Wen Gu, Zhi Liu, Tong Wang, Xiao-Dong Sun, Ru-Qin Yu
In the present work, a practical method that combines excitation-emission matrix fluorescence with a second-order calibration method based on an alternating trilinear decomposition (ATLD) algorithm was developed in order to simultaneously and directly determine the contents of warfarin (WAR) and aspirin (ASA) in human plasma and urine samples, even in the presence of unknown interferences. With the pre-estimated component number of 4, the obtained average spiked recoveries were 105.4 ± 7.8 and 104.2 ± 8.3% for WAR, 96...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070070/quantitative-determination-of-iron-ions-based-on-a-resonance-raman-rr-probe-phenanthroline
#17
Liang Wang, Yi Zhang, Yeonju Park, Lei Chen, Young Mee Jung
In this paper, we demonstrate a new promising resonance Raman (RR)-based method for the determination of Fe(3+) concentrations in aqueous solutions. Iron ions were quantified at a low concentration range by employing hydroxylamine hydrochloride as the reductant, and phenanthroline as the complexing agent, thereby reducing Fe(3+) to Fe(2+). The addition of Fe(3+) to the detection reagent resulted in a rapid color change from colorless to orange-red, together with an obvious new RR band appearing at 1459 cm(-1)...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070069/biological-and-medical-applications-of-multivariate-curve-resolution-assisted-raman-spectroscopy
#18
Hemanth Noothalapati, Keita Iwasaki, Tatsuyuki Yamamoto
Biological specimens such as cells, tissues and biofluids (urine, blood) contain mixtures of many different biomolecules, all of which contribute to a Raman spectrum at any given point. The separation and identification of pure biochemical components remains one of the biggest challenges in Raman spectroscopy. Multivariate curve resolution, a matrix factorization method, is a powerful, yet flexible, method that can be used with constraints, such as non-negativity, to decompose a complex spectroscopic data matrix into a small number of physically meaningful pure spectral components along with their relative abundances...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070068/-frontiers-of-vibrational-spectroscopy-in-analytical-chemistry
#19
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2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
https://www.readbyqxmd.com/read/28070067/announcements
#20
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2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
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