journal
MENU ▼
Read by QxMD icon Read
search

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy

journal
https://www.readbyqxmd.com/read/30634132/non-invasive-monitoring-of-red-beet-development
#1
Bing Ma, Raul D Rodriguez, Elena Bogatova, Alexey Ruban, Sergey Turanov, Damir Valiev, Evgeniya Sheremet
Agricultural monitoring is required to enhance crop production, control plant stress, and predict pests and crop infection. Apart from monitoring the external influences, the state of the plant itself must be tracked. However, the modern methods for plant analysis are expensive and require plants processing often in a destructive way. Optical spectroscopy can be used for the non-invasive monitoring requiring no consumables, and little to none sample preparation. In this context, we found that the red beet growth can be monitored by Raman spectroscopy...
January 4, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30622039/aie-active-salicylaldehyde-based-hydrazone-a-novel-single-molecule-multianalyte-al-3-or-cu-2-sensor-in-different-solvents
#2
Zhi-Hong Xu, Yuan Wang, Yang Wang, Jian-Yun Li, Wen-Feng Luo, Wei-Na Wu, Yun-Chang Fan
A simple asymmetric hydrazone 1 based on salicylaldehyde was designed and prepared, and exhibited an evident aggregation-induced emission (AIE) at a long wavelength of 570 nm in aqueous medium. Probe 1 can selectively sense Al3+ in CH3 OH solution through the chelation-enhanced fluorescence mechanism and also recognize Cu2+ via fluorescence quenching in H2 O solution through the Cu2+ -induced assembly of aggregates. In addition, the probe can be applied for detecting Cu2+ in biological samples.
January 3, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30622038/temperature-sensor-probe-based-on-intramolecular-charge-transfer-ict-reversible-solute-solvent-interaction-in-solution
#3
Sumit Kumar Panja, Satyen Saha
In this present work, we have developed a temperature sensitive ICT probe (KNP) to investigate alternation of ICT process with the temperature in polar protic solvents. The H-bonding interaction is found to play a key role on solute-solvent interaction to become a temperature sensitive ICT probe in solution. From temperature dependent UV-Vis spectra, it is cleared that the solute-solvent interaction is reversible in nature with temperature and affected by concentration in polar protic solvents. The reversible solute-solvent interaction is observed by monitoring the intensity variation of intramolecular charge transfer (ICT) band with temperature in solution...
January 3, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30616164/structural-activity-fungicidal-activity-and-molecular-dynamics-simulation-of-certain-triphenyl-methyl-imidazole-derivatives-by-experimental-and-computational-spectroscopic-techniques
#4
G P Sheeja Mol, D Aruldhas, I Hubert Joe, S Balachandran, A Ronaldo Anuf, Jesby George, Anuroopa G Nadh
The main objective of the study is to analyze the structural behaviour and fungicidal activity of clotrimazole by experimental and theoretical spectroscopic techniques. Its computational results are correlated with three triphenyl imidazole derivative compounds. The clotrimazole-water complexes formed by hydrogen bonding interactions are investigated at the B3LYP/6-311G(d,p) level. The distributions of the vibrational bands are carried out with the help of normal coordinate analysis (NCA). Hirshfeld surface analysis of clotrimazole is done and the obtained finger print plots reveal the interactions within the compound...
December 29, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30616166/crystal-phase-induced-upconversion-enhancement-in-er-3-yb-3-doped-srtio-3-ceramic-and-its-temperature-sensing-studies
#5
Prasenjit Prasad Sukul, Manoj Kumar Mahata, Uttam Kumar Ghorai, Kaushal Kumar
Through doping of Er3+ /Yb3+ ions the SrTiO3 perovskite ceramic is turned into an optically active material keeping its ferroelectric property intact. A huge enhancement of around 20 times in upconversion (UC) emission intensity is observed due to the transformation of cubic crystal structure to tetragonal phase. The intensity ratio of green to red band is found too high to neglect the contribution from the red emission band, which is not observed normally in such type of relatively moderate phonon frequency materials containing Yb3+ /Er3+ ions...
December 28, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30616165/ratiometric-fluorescent-probe-based-on-pyrrole-modified-rhodamine-6g-hydrazone-for-the-imaging-of-cu-2-in-lysosomes
#6
Wei-Na Wu, Hao Wu, Run-Bin Zhong, Yuan Wang, Zhi-Hong Xu, Xiao-Lei Zhao, Zhou-Qing Xu, Yun-Chang Fan
A novel rhodamine-based Schiff base derivative was obtained via the simple condensation of substituted formyl-1H-pyrrole and rhodamine 6G hydrazone. Fluorescence resonance energy transfer enabled the subsequent use of the derivative as a naked-eye colorimetric and ratiometric fluorescent sensor for Cu2+ in semi-aqueous solution, and the existence of the morpholine group enabled the further application of the sensor in imaging Cu2+ in the lysosomes of HeLa cells.
December 27, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30616168/structure-dna-proteins-binding-docking-and-cytotoxicity-studies-of-copper-ii-complexes-with-the-first-quinolone-drug-nalidixic-acid-and-2-2-%C3%A2-dipyridylamine
#7
Manish Kumar, Gyanendra Kumar, Navin Kumar Mogha, Ritu Jain, Firasat Hussain, Dhanraj T Masram
This work presents the synthesis, structural characterization and biological affinity of the newly synthesized copper(II) complexes with the first antibacterial quinolone drug nalidixic acid (nal) or N-donor ligand 2,2'‑dipyridylamine (bipyam). [Cu(II)(nal)(bipyam)Cl], (2) reveals a distorted square pyramidal based geometry in Cu(II) atom confirmed by X-ray crystallography technique. The theoretical stabilities and optimized structures of the complex were obtained from DFT calculations. The ability of the complexes to bind with calf thymus DNA (CT DNA) were investigated by electronic absorption, fluorescence, circular dichroism, and viscosity measurements techniques...
December 24, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30597436/a-novel-turn-on-mitochondria-targeting-near-infrared-fluorescent-probe-for-determination-and-bioimaging-cellular-hydrogen-sulfide
#8
Xiong-Jie Zhao, Yu-Ren Jiang, Yu-Ting Li, Bing-Qing Yang, Ce Liu, Zhi-Hong Liu
Hydrogen sulfide (H2 S) has been regarded as an important gas transmitter playing vital role in cytoprotective processes and redox signaling. It is very meaningful to monitor and analyze it in biosystem for obtaining important physiological and pathological information. Despite numerous fluorescent probes for cellular H2 S have been reported in past decades, only a few have capability to detect mitochondrial H2 S with near-infrared (NIR) emission. Therefore, a new mitochondria-targeting NIR fluorescent probe (Mito-NSH) for detection of cellular H2 S was developed by introducing 2,4-dinitrophenyl ether into a novel dye (Mito-NOH)...
December 24, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30594849/multi-spectroscopic-approaches-and-molecular-simulation-research-of-the-intermolecular-interaction-between-the-angiotensin-converting-enzyme-inhibitor-ace-inhibitor-benazepril-and-bovine-serum-albumin-bsa
#9
Bao-Li Wang, Dong-Qi Pan, Kai-Li Zhou, Yan-Yue Lou, Jie-Hua Shi
Benazepril, a common ACE inhibitor, widely used in the treatment of arterial hypertension and congestive heart failure. In this study, We evaluated the characteristics of the interaction between benazepril and BSA under the simulated physiological condition (pH 7.4) through various spectroscopic and molecular docking methods. Fluorescence and absorption spectroscopy results showed benazepril quenched the intrinsic fluorescence of BSA through a combined dynamic and static quenching mechanism. The number of binding sites (n) and the binding constant (Kb ) of benazepril-BSA complex were circa 1 and 6...
December 23, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30593994/a-colorimetric-and-near-infrared-fluorescent-probe-for-cysteine-and-homocysteine-detection
#10
Xiaojing Yang, Yingying Wang, Mei-Xia Zhao, Wei Yang
By introducing the S-aryl substituents at the central carbon on heptamethine cyanine, we have developed a near-infrared fluorescent probe Cy.7-PT. The probe had the high selectivity for the colorimetric detection of Cys/Hcy with the color changing from light green to blue. Cys could be quantitatively detected and the detection limit is 0.39 μM. Cell imaging and spiked samples experiments prove that the probe Cy.7-PT is suitable for monitoring and visualizing Cys in vitro and living cells.
December 22, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30616167/europium-functionalized-silicon-quantum-dots-nanomaterials-for-ratiometric-fluorescence-detection-of-bacillus-anthrax-biomarker
#11
Zhan Zhou, Jiapei Gu, Yuze Chen, Xiaoxia Zhang, Haixia Wu, Xiaoguang Qiao
Bacillus anthracis spore causes anthrax to seriously threaten human health and even cause death. 2,6-Pyridinedicarboxylic acid (DPA) is a unique biomarker because it is a major component of Bacillus anthracis spore. Herein, we design europium functionalized silicon quantum dots as a ratiometric fluorescent nanoprobe to detect DPA with high sensitivity and selectivity. With the addition of DPA, the red emission peaks were observed at 618 nm. The novel probe enables ratiometric and sensitive DPA detection over nanomolar concentrations (as low as 1...
December 21, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30597435/experimental-and-theoretical-investigations-of-4-hydroxy-l-proline-cadmium-chloride-nonlinear-optical-crystal
#12
REVIEW
V Charles Vincent, K Kirubavathi, G Bakiyaraj, K Selvaraju
The solution grown structure 4-hydroxy L-proline cadmium chloride (4HLPCC) single crystal has been done by means of X-ray diffraction method. The computational quantum mechanical modelling method was performed with B3LYP level and LanL2DZ basis set to determine optimized geometry, dipolar moment, linear polarizability, first order hyperpolarizability, atomic charges of various atoms, thermodynamic parameters, HOMO-LUMO energy gap and vibrational frequencies of 4HLPCC. The vibrational frequencies of 4HLPCC were observed experimentally through FTIR and FT-RAMAN analyses and compared with theoretical frequencies...
December 21, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30594854/theoretical-study-on-the-low-lying-excited-electronic-states-and-laser-cooling-feasibility-of-cuh-molecule
#13
Mao-Sen Xu, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma
To evaluate the feasibility of the laser cooling of CuH molecule, we investigate the electronic properties, the vibrational and rotational characteristics of the molecule based on the multi-reference configuration interaction method with all-electron basis sets. The potential energy curves (PECs) of X1 Σ+ , A1 Σ+ , B1 Σ+ , a3 Σ+ , b3 Σ+ , e3 Σ+ , C1 П, D1 П, c3 П and d3 П states and the transition dipole moments between these states are calculated. The Schrödinger equation of nuclear movement is solved for each electronic state to obtain the rotational and vibration energy levels...
December 21, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30594851/a-novel-aluminum-sensitive-fluorescent-chemosensor-based-on-4-aminoantipyrine-an-experimental-and-theoretical-study
#14
Zohreh Alyaninezhad, Ahmadreza Bekhradnia, Nourollah Feizi, Sattar Arshadi, Mahmood Zibandeh
A practical and an efficient Schiff base fluorescent chemosensor, salicylidene-4-aminoantipyrinyl-4-aminophenol (A2) has been synthesized through the condensation procedure of 1-phenyl-2,3-dimethyl-4-(N-2-hydroxybenzylidene)-3-pyrazoline-5-one and 4-aminophenol. Compound A2 has displayed a considerable fluorescence enhancement with high selectivity and sensitivity toward Al3+ ion and exhibited an emission band at 484 nm, which contained a low detection limit (LOD) of 1.06 × 10-7  M. In accordance to the experimental study, DFT, TDDFT calculations, and the enhancement of fluorescence intensity might be attributed to the inhibition of Photoinduced Electron Transfer (PET) along with the Excited-State Intramolecular Proton Transfer (ESIPT)...
December 21, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30593993/novel-rhodamine-based-colorimetric-and-fluorescent-sensor-for-the-dual-channel-detection-of-cu-2-and-co-2-trivalent-metal-ions-and-its-aire-activities
#15
Yuan Wang, Hao Wu, Wei-Na Wu, Xian-Jie Mao, Xiao-Lei Zhao, Zhou-Qing Xu, Zhi-Hong Xu, Yun-Chang Fan
A rhodamine hydrazone 1 bearing coumarin moiety was designed and prepared. Compound 1 exhibited high selectivity toward Co2+ and trivalent metal ions with fluorescence enhancement in CH3 OH solution. However, 1 selectively responded to Al3+ in nearly pure H2 O media and was further applied to monitor Al3+ in live cells. Moreover, 1 could also act as a colorimetric probe toward Cu2+ in either CH3 OH or H2 O solution. In addition, sensor 1 displayed aggregation-induced ratiometric emission (AIRE) activities in mixed H2 O/CH3 OH solution...
December 21, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30593946/highly-luminescent-n-doped-carbon-dots-from-black-soya-beans-for-free-radical-scavenging-fe-3-sensing-and-cellular-imaging
#16
Jing Jia, Bo Lin, Yifang Gao, Yuan Jiao, Lei Li, Chuan Dong, Shaomin Shuang
The novel N doped carbon dots (N-CDs) were readily fabricated through one-step pyrolysis method from black soya beans. The obtained N-CDs possessed excellent photoluminescence properties with quantum yield of 38.7 ± 0.64% and dual responsive properties towards free radical and Fe3+ . The N-CDs exhibited favorable radical scavenging activity (RSA) against 1,1-diphenyl-2-picrylhydrazyl (DPPH) and superoxide anion radicals. Fe3+ could induce photoluminescence quenching of N-CDs through static quenching characteristics...
December 19, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30583165/nickel-ion-detection-by-imidazole-modified-carbon-dots
#17
Yan Gong, Huifeng Liang
Nickel ions (Ni2+ ) were detected by a new imidazole modified carbon dots (CDs) based on fluorescence quenching method. Structural characterization of CD-imidazole quantum dots were accomplished by transmission electron microscopy (TEM) and Fourier transform infrared spectroscopy (FT-IR). Spectroscopic properties were characterized by ultraviolet absorption spectrum and fluorescence spectrum. Ni2+ concentration showed good linear relationship with fluorescence quenching efficiency in the range of 6-100 mM (R = 0...
December 19, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30594866/hyperspectral-inversion-of-heavy-metal-content-in-reclaimed-soil-from-a-mining-wasteland-based-on-different-spectral-transformation-and-modeling-methods
#18
Shiwen Zhang, Qiang Shen, Chaojia Nie, Yuanfang Huang, Jianhua Wang, Qingqing Hu, Xuejiao Ding, Yan Zhou, Yuanpeng Chen
Conventional methods for investigating heavy metal contamination in soil are time consuming and expensive. We explored reflectance spectroscopy as an alternative method for assessing heavy metals. Four spectral transformation methods, first-order differential (FDR), second-order differential (SDR), continuum removal (CR) and continuous wavelet transform (CWT), are used for the original spectral data. Spectral preprocessing effectively eliminated the noise and baseline drifting and also highlighted the locations of the spectral feature bands...
December 18, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30583164/rapid-determination-of-phytosterols-by-nirs-and-chemometric-methods
#19
Yan Liu, Yixin Wang, Zhenzhen Xia, Yingjie Wang, Yongning Wu, Zhiyong Gong
Phytosterols have been extensively studied because it plays essential roles in the physiology of plants and can be used as nutritional supplement to promote human health. We use a rapid method by coupling near-infrared spectroscopy (NIRS) and chemometric techniques to quickly and efficiently determine three essential phytosterols (β-sitosterol, campesterol and stigmasterol) in vegetable oils. Continuous wavelet transform (CWT) method was adopted to remove the baseline shift in the spectra. The quantitative analysis models were constructed by partial least squares (PLS) regression and randomization test (RT) method was used to further improve the models...
December 18, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/30583163/kinetic-spectrophotometric-method-for-real-time-monitoring-of-ultraviolet-photoreactions-a-mini-photoreactor
#20
Lais Bukman, Camila Fabiano de Freitas, Wilker Caetano, Nádia Regina Camargo Fernandes, Noboru Hioka, Vagner Roberto Batistela
It is proposed a new approach to evaluate the performance of ultraviolet photoreactions by integrating UV-LED and a UV-Vis cuvette as a mini-reactor for kinetic monitoring in a spectrophotometer not influenced by external light. This system uses only 3.0 mL of solutions in a rectangular quartz cuvette with a mini-bar magnetic stirrer in a cell holder and a UV-LED of 5 W with λmax at 370 nm was positioned on the top of the cuvette and maintained at 25.0 o C. The effectiveness of this photoreactor was demonstrated by measuring the real-time degradation of two model compounds, salicylic acid and methylene blue, in homogeneous and heterogenous systems...
December 18, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
journal
journal
32447
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"