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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy

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https://read.qxmd.com/read/30991294/improving-the-accuracy-and-precision-of-broadband-optical-cavity-measurements
#1
Jun Chen, Donovan P Fullam, Shuaishuai Yu, Olaf Böge, Phuoc Hoa Le, Hartmut Herrmann, Dean S Venables
Most extinction measurements require a stable light source to attain high precision and accuracy. Here, we present a convenient approach to normalize light source intensity in broadband optical cavity measurements. In the absence of sample extinction, we show that the in-band signal - the high finesse spectral region of the optical cavity in which sample extinction is measured with high sensitivity - is strongly correlated with the out-of-band signal. The out-of-band signal is insensitive to sample extinction and can act as a proxy for light source intensity...
April 10, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30995579/recognition-of-silver-cations-by-multifarene-2-2-chemosensors-with-unexpected-fluorescence-response
#2
Yin-Hui Huang, Qing-Mei Ge, Yong-Yi Zhao, Hang Cong, Jiang-Lin Zhao, Zhu Tao, Qing-Ying Luo
Fluorescent chemosensors based on a new macrocyclic compound, multifarene[2,2], with modification by triazole-linked pyrene or anthracene were synthesized. These macrocyclic sensors exhibited high affinity and selectivity toward Ag+ over other metal ions, with ratiometric or enhanced response of their fluorescence emissions depending upon the substituent species for coordination to Ag+ , and an unexpected response to a concentration threshold of the metal cations was discovered. The experimental evidences of fluorescence spectra, 1 H NMR titration, IR spectra, and high-resolution mass spectra suggested the coordination behaviors of the sensors with Ag+ , that is, the 1:1 complexes were formed with moderate association constants of about 105  L·mol-1 , and the sulfur atoms on macrocyclic ligand should affinite to the metal cations...
April 9, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30991295/spontaneous-emissions-between-the-a-3-%C3%AE-b-3-%C3%AE-c-3-%C3%AE-d-3-%C3%AE-and-e-3-%C3%AE-states-of-the-alo-cation
#3
Yanan Feng, Zhunlue Zhu
The potential energy curves are calculated for the a3 Π, b3 Σ- , c3 Σ+ , d3 Π, and e3 Σ- states of the AlO+ cation using the valence internally contracted multireference configuration interaction approach. The transition dipole moments are computed between these states. To improve the reliability and accuracy of the potential energy curves, several corrections are included, namely, Davidson correction, core-valence correlation and scalar relativistic corrections, as well as extrapolation of the potential energies to the complete basis set limit...
April 8, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30981029/combined-fluorescence-transmittance-imaging-system-for-geographical-authentication-of-patchouli-oil
#4
Dimas Firmanda Al Riza, Slamet Widodo, Y Aris Purwanto, Naoshi Kondo
Recently, demand for authentication technology is growing rapidly in an attempt to overcome counterfeiting of high-value agricultural products, such as patchouli oil. Fingerprinting methods based on spectroscopy are one such technology being used for authentication. However, the spectral datasets obtained are multivariate in nature; containing thousands of data points for a single sample, making data acquisition and processing time-consuming. Therefore, reduction and simplification in the number of variables used required is needed to provide a more rapid and applicable method...
April 8, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30995576/transient-uv-vis-absorption-spectroscopic-characterisation-of-2-methoxyacetophenone-as-a-dna-photosensitiser
#5
Ofelia R Alzueta, M Consuelo Cuquerella, Miguel A Miranda
2'-Methoxyacetophenone (2M) presents improved UVA absorption as compared with other acetophenone derivatives. On the basis of transient infrared spectroscopy it has been previously claimed that 2M is an interesting photosensitiser for cyclobutane pyrimidine dimers (CPDs) formation. In the present paper, a complete UV-Vis transient absorption spectroscopic characterisation of this compound is provided, including triplet-triplet spectra, triplet lifetimes and rate constants for quenching of 2M by a dimeric thymine derivative...
April 6, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30986708/synthesis-and-spectroscopic-characterization-of-novel-gfp-chromophore-analogues-based-on-aminoimidazolone-derivatives
#6
Attila Jancsó, Ervin Kovács, Levente Cseri, Balázs J Rózsa, Gábor Galbács, Imre G Csizmadia, Zoltán Mucsi
In order to improve the fluorescence properties of the green fluorescent protein chromophore, p‑HOBDI ((5‑(4‑hydroxybenzylidene)‑2,3‑dimethyl‑3,5‑dihydro‑4H‑imidazol‑4‑one), sixteen dihydroimidazolone derivates were synthesized from thiohydantoin and arylaldehydes. The synthesis developed is an efficient, novel, one-pot procedure. The study provides a detailed description of the spectroscopic characteristics of the newly synthesized compounds, using p‑HOBDI as a reference. The new compounds all exhibited significantly stronger fluorescence than p‑HOBDI, up to 28 times higher quantum yields...
April 6, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30995577/recyclable-fluorescent-chemodosimeters-based-on-8-hydroxyquinoline-derivatives-for-highly-sensitive-and-selective-detection-of-mercury-ii-in-aqueous-media-and-test-strips
#7
Jingwen Xiong, Zongzhi Li, Shaomin Ji, Chengqiang Pan, Wenjin Ji, Qi Li, Yanping Huo
Four novel highly selective 8-hydroxyquinoline-based fluorescent chemodosimeters (1-4) were synthesized for the rapid analysis of Hg2+ in aqueous solution and on paper strips, which probably attributed to the excited state intramolecular proton transfer (ESIPT) process. Chemodosimeter 1 was evaluated as a Hg2+ -ratiometric fluorescent sensor while others (2, 3 and 4) displayed fluorescence turn-on response for Hg2+ among the various survey metal ions. We demonstrated that chemodosimeters (1-4) could recognized Hg2+ ions based on a 1:1 stoichiometric binding event with fast detection time...
April 4, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30991293/a-colorimetric-and-fluorescent-chemosensor-based-on-diarylethene-for-simultaneous-detection-and-discrimination-of-biothiols
#8
Lihui Zhai, Yayi Tu, Zhanglin Shi, Shouzhi Pu
In this work, a novel probe D-HBT-NBD (1O) based on diarylethene to detect biothiols (including Cys, Hcy and GSH) was synthesized and the relative colorimetric and fluorescent properties were tested. The probe exhibited excellent photochromic properties and showed apparent colorimetric and fluorescent signals for Cys, Hcy and GSH. The probe can selectively detect Cys, Hcy and GSH by naked eyes for its open-ring isomer 1O and can discriminate Cys from Hcy/GSH by apparent color change from light orange to dark pink at the closed-ring state under the irradiation of UV light...
April 4, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30959344/comprehensive-spectroscopy-studies-of-photoelimination-process-of-toxic-metals-ions-from-aqueous-solution-by-using-cds-and-cds-magnetized-powder-activated-carbon-assisted-magnetic-stir-bar
#9
Abdolraouf Samadi-Maybodi, Hajar Farzinia
In this study, a simple and novel photocatalytic tool was proposed and developed for photoelimination of toxic metal ions in aqueous solution. CdS quantum dots capped with thioglycolic acid and CdS @ magnetized powder activated carbon (CdS@MPAC) fixed on magnetic stir bar was constructed and applied for photoelimination of toxic metal ions in aqueous solutions. The production and contribution of hydroxyl (OH) and superoxide (O2 - ) species generated during photoelimination process were investigated. The photoelimination of Cd(II), Co(II), Cu(II), Mn(II), Ni(II) and Pb(II) metal ions was performed at neutral pH (7...
April 3, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30952026/corrigendum-to-theoretical-studies-on-molecular-structure-and-vibrational-spectra-of-8-hydroxyquinolinium-picrate-spectrochim-acta-part-a-79-2011-1425-1429
#10
A Başoğlu, D Avcı, Y Atalay, F Çelik, T Şahinbaş
No abstract text is available yet for this article.
April 2, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30959343/tri-2-picolyl-amine-modificated-triarylborane-synthesis-photophysical-properties-and-distinguish-for-cyanide-and-fluoride-anions-in-aqueous-solution
#11
Yufeng Zhang, Xianchao Du, Long Chen, Zixiu Li, Wenji Wang, Tianbao Li, Mao-Sen Yuan
We designed and synthesized a tri-(2-picolyl) amine (TPA) functionalized triarylborane, 1-(6-(4-(dimesitylboryl)phenyl)pyridin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine (PB2). The photophysical properties of PB2 were thoroughly explored. Moreover, PB2 can capture CN- and F- in aqueous solution through strong chelation induced by the synergy of a boron atom and metal ion gripped by TPA to display entirely different fluorogenic responses such as fluorescence enhancement for CN- and fluorescence quenching for F- ...
April 1, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30954797/integrated-multi-spectroscopic-and-molecular-modelling-techniques-to-probe-the-interaction-mechanism-between-salvianolic-acid-a-and-%C3%AE-%C3%A2-glucosidase
#12
Hongjin Tang, Fei Ma, Dongsheng Zhao
α-Glucosidase (AG) is an important drug target for the treatment of type 2 diabetes mellitus in humans due to the potential effect of down regulating glucose absorption in patients. In our previous study, salvianolic acid A (SAA) was found to exhibit potent AG inhibitory activity, whereas the interaction mechanism was still ambiguous. Herein, the interaction mechanism of SAA and AG was investigated by multi-spectroscopic methods along with molecular docking. As a result, it was found that SAA reversibly inhibited AG in a competitive manner with IC50 of 16...
April 1, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30995578/perylenequinone-based-turn-on-fluorescent-probe-for-hydrogen-sulfide-with-high-sensitivity-in-living-cells
#13
Ju-Peng Chen, Yi-Meng Duan, Wen-Jun Zheng, Qi Zhang, Qianshou Zong, Shaojin Chen, Kun-Peng Wang, Zhi-Qiang Hu
Hydrogen sulfide (H2 S) is a kind of gaseous signal molecule in many physiological processes. In order to detect H2 S, a novel "turn on" fluorescent probe 6,12-dihydroxyperylene-1,7-dione (DPD) was designed and synthesized. The probe DPD is fluorescence silence, while the addition of H2 S induces an obvious green fluorescence with an obvious color change from dark blue to yellow-green. The probe shows excellent selectivity, fast response (2.5 min) and linear curve (0-90 μM) in wide effective pH range (4-10)...
March 29, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30970292/rotational-spectrum-and-structure-of-2-chlorothiophene-and-its-complex-with-argon
#14
Yan Jin, Xiaolong Li, Yang Zheng, Qian Gou, Zhining Xia, Gang Feng
2-chlorothiophene and its van der Waals complex with argon were studied by supersonic-jet Fourier transform microwave spectroscopy. Rotational measurements of parent and the mono-substituted 37 Cl, 34 S and 13 C isotopologues of the monomer allowed its precisely structural determination. Rotational spectra of 35 Cl and 37 Cl isotopologues were observed and assigned for the van der Waals complex of 2-chlorothiophene with Ar. Ab initio calculations carried out at the MP2/6-311++G(d,p) level of theory complement the experimental studies...
March 29, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30959342/spectrophotometrical-analysis-for-fabrication-of-ph-independent-nano-sized-%C3%AE-alumina-by-dealumination-of-kaolin-and-precipitation-in-the-presence-of-surfactant-composites
#15
Shiva Ferdowsi, Amin Salem, Shiva Salem
The challenge with γ-Al2 O3 is its pH-dependent removal efficiency and relatively low adsorption capacity in recovery of wastewaters contaminated by cationic dyes. Therefore; the objective of present investigation was to fabricate a pH-independent nano-sized alumina powder by dealumination of kaolin for uptake of dye. The dealumination of meta-kaolin was carried out by nitric acid solution and the amorphous aluminum hydroxide was precipitated with ammonia in the presence of combined surfactants containing cetyltrimethylammonium bromide (CTAB), polyethylene glycol (PEG) and polyoxyethylene octyl phenyl ether (TX100)...
March 29, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30954801/comprehensive-spectroscopic-studies-of-synergism-between-gadong-starch-based-carbon-dots-and-bovine-serum-albumin
#16
Regina Sisika A Sonthanasamy, Nik Muslihuddin Nik Sulaiman, Ling Ling Tan, Azwan Mat Lazim
Carbon dots (C-dots) were used to study the binding mechanisms with serum protein, bovine serum albumin (BSA) by using two notable binding systems known as non-covalent and covalent interaction. Interaction between C-dots and BSA were estimated by Stern-Volmer equation and Double Log Regression Model (DLRM). According to the fluorescent intensity, quenching of model carrier protein by C-dots was due to dynamic quenching for non-covalent and static quenching for covalent binding. The binding site constant, KA and number of binding site, for covalent interaction is 1754...
March 29, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30954799/early-prediction-of-sugarcane-genotypes-susceptible-and-resistant-to-diatraea-saccharalis-using-spectroscopies-and-classification-techniques
#17
Nathália de A Porto, Jussara V Roque, Cleiton A Wartha, Wilson Cardoso, Luiz A Peternelli, Márcio H P Barbosa, Reinaldo F Teófilo
The aim of this work was to use spectroscopic methods and partial least squares discriminant analysis (PLS-DA) for the early prediction of genotype resistance or susceptibility to sugarcane borer. The sugarcane leaf +1 was directly analyzed with no sample preparation by ultraviolet-visible-near-infrared (UV-VIS-NIR), middle-infrared (MID), and near-infrared (NIR) spectroscopies. Also, laser-induced breakdown spectroscopy (LIBS) was used to analyze pellets of dried and ground leaves and stalks of sugarcane. Classification models were built using PLS-DA...
March 29, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30954796/near-infrared-system-coupled-chemometric-algorithms-for-the-variable-selection-and-prediction-of-baicalin-in-three-different-processes
#18
Xuesong Liu, Siyu Zhang, Hongfei Ni, Wei Xiao, Jun Wang, Yerui Li, Yongjiang Wu
Characteristic variables are essential and necessary basis in model construction, and are related to the prediction result closely in near infrared spectroscopy (NIRS) analysis. However, the same compound usually has different characteristic variables for different analysis and it would be lower correlation between variables and structure in many researches. So, the accuracy and reliability are expected to improve by exploring characteristic variables in different spectrum analysis. In this study, competitive adaptive weighted resampling method (CARS) was applied to select characteristic variables related to baicalin from NIRS analysis data, which were applied to analysis of baicalin in three different processes including the herb, extraction process and concentration process of Scutellaria baicalensis...
March 29, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30954795/enhancing-the-fluorescence-spectrum-of-frying-oil-using-a-nanoscale-probe
#19
Haiyang Gu, Yanhui Sun
This study attempted to develop a probe-based fluorescence technology as a rapid method to discriminate the oxidation degree of oil. The fluorescence probe was made by dissolving the selected probe in a chloroform solvent. A fluorescence landscape profile for each oil sample was obtained to discriminate fluorescence changes during the oxidation process. Parallel factor analysis (PARAFAC) was performed to extract characteristic fluorescence peaks. Then, these characteristic fluorescence peaks and chemical indicators were used to build regression models based on support vector regression (SVR)...
March 29, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/30953923/enhanced-oxygen-sensing-sensitivity-by-eliminating-the-protection-of-triplet-phosphorescence
#20
Huimin Zhao, Lixin Zang, Kehua Xu, Meng Kou, Zhiguo Zhang
High oxygen sensitivity (the slope of the Stern-Volmer plot reaches 0.73/μM) is achieved with a phosphorescence indicator, gadolinium-hematoporphyrin monomethyl ether (Gd-HMME), by decreasing the extent of its protection. In air-saturated solution, the phosphorescence quantum efficiency (QE) of Gd-HMME in a non-rigid microenvironment is lower than that in a rigid microenvironment. In contrast, when oxygen is removed, the QE of Gd-HMME in the non-rigid microenvironment was found to be same as that of Gd-HMME in the rigid microenvironment...
March 29, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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