Electrical Anharmonicity and Vibronic Couplings Contributions to Optical Nonlinearity of N-Benzyl-2-methyl-4-nitroaniline Crystal Studied by FT-IR, Polarized FT-NIR, Resonance Raman and UV–Vis Spectroscopy

2012 ◽  
Vol 116 (7) ◽  
pp. 1730-1745 ◽  
Author(s):  
Katarzyna Piela ◽  
M. Magdalena Szostak
Biology ◽  
2021 ◽  
Vol 10 (3) ◽  
pp. 233
Author(s):  
Ali A. Badawy ◽  
Nilly A. H. Abdelfattah ◽  
Salem S. Salem ◽  
Mohamed F. Awad ◽  
Amr Fouda

Herein, CuO-NPs were fabricated by harnessing metabolites of Aspergillus niger strain (G3-1) and characterized using UV–vis spectroscopy, XRD, TEM, SEM-EDX, FT-IR, and XPS. Spherical, crystallographic CuO-NPs were synthesized in sizes ranging from 14.0 to 47.4 nm, as indicated by TEM and XRD. EDX and XPS confirmed the presence of Cu and O with weight percentages of 62.96% and 22.93%, respectively, at varied bending energies. FT-IR spectra identified functional groups of metabolites that could act as reducing, capping, and stabilizing agents to the CuO-NPs. The insecticidal activity of CuO-NPs against wheat grain insects Sitophilus granarius and Rhyzopertha dominica was dose- and time-dependent. The mortality percentages due to NP treatment were 55–94.4% (S. granarius) and 70–90% (R. dominica). A botanical experiment was done in a randomized block design. Low CuO-NP concentration (50 ppm) caused significant increases in growth characteristics (shoot and root length, fresh and dry weight of shoot and root, and leaves number), photosynthetic pigments (total chlorophylls and carotenoids), and antioxidant enzymes of wheat plants. There was no significant change in carbohydrate or protein content. The use of CuO-NPs is a promising tool to control grain insects and enhance wheat growth performance.


Nanomaterials ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 1869
Author(s):  
A K M Mashud Alam ◽  
Donovan Jenks ◽  
George A. Kraus ◽  
Chunhui Xiang

Organophosphate (OP) compounds, a family of highly hazardous chemical compounds included in nerve agents and pesticides, have been linked to more than 250,000 annual deaths connected to various chronic diseases. However, a solid-state sensing system that is able to be integrated into a clothing system is rare in the literature. This study aims to develop a nanofiber-based solid-state polymeric material as a soft sensor to detect OP compounds present in the environment. Esters of polydiacetylene were synthesized and incorporated into a cellulose acetate nanocomposite fibrous assembly developed with an electrospinning technique, which was then hydrolyzed to generate more hydroxyl groups for OP binding. Scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), Instron® tensile tester, contact angle analyzer, and UV–Vis spectroscopy were employed for characterizations. Upon hydrolysis, polydiacetylene esters in the cellulosic fiber matrix were found unaffected by hydrolysis treatment, which made the composites suitable for OP sensing. Furthermore, the nanofibrous (NF) composites exhibited tensile properties suitable to be used as a textile material. Finally, the NF composites exhibited colorimetric sensing of OP, which is visible to the naked eye. This research is a landmark study toward the development of OP sensing in a protective clothing system.


Molecules ◽  
2021 ◽  
Vol 26 (9) ◽  
pp. 2545
Author(s):  
Luna Song ◽  
Hehe Bai ◽  
Chenyang Liu ◽  
Wenjun Gong ◽  
Ai Wang ◽  
...  

Two light-activated NO donors [RuCl(qn)(Lbpy)(NO)]X with 8-hydroxyquinoline (qn) and 2,2′-bipyridine derivatives (Lbpy) as co-ligands were synthesized (Lbpy1 = 4,4′-dicarboxyl-2,2′-dipyridine, X = Cl− and Lbpy2 = 4,4′-dimethoxycarbonyl-2,2′-dipyridine, X = NO3−), and characterized using ultraviolet–visible (UV-vis) spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, nuclear magnetic resonance (1H NMR), elemental analysis and electrospray ionization mass spectrometry (ESI-MS) spectra. The [RuCl(qn)(Lbpy2)(NO)]NO3 complex was crystallized and exhibited distorted octahedral geometry, in which the Ru–N(O) bond length was 1.752(6) Å and the Ru–N–O angle was 177.6(6)°. Time-resolved FT-IR and electron paramagnetic resonance (EPR) spectra were used to confirm the photoactivated NO release of the complexes. The binding constant (Kb) of two complexes with human serum albumin (HSA) and DNA were quantitatively evaluated using fluorescence spectroscopy, Ru-Lbpy1 (Kb~106 with HSA and ~104 with DNA) had higher affinity than Ru-Lbpy2. The interactions between the complexes and HSA were investigated using matrix assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF-MS) and EPR spectra. HSA can be used as a carrier to facilitate the release of NO from the complexes upon photoirradiation. The confocal imaging of photo-induced NO release in living cells was successfully observed with a fluorescent NO probe. Moreover, the photocleavage of pBR322 DNA for the complexes and the effect of different Lbpy substituted groups in the complexes on their reactivity were analyzed.


Polymers ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 533 ◽  
Author(s):  
Josué A. Torres-Ávalos ◽  
Leonardo R. Cajero-Zul ◽  
Milton Vázquez-Lepe ◽  
Fernando A. López-Dellamary ◽  
Antonio Martínez-Richa ◽  
...  

Design of a smart drug delivery system is a topic of current interest. Under this perspective, polymer nanocomposites (PNs) of butyl acrylate (BA), methacrylic acid (MAA), and functionalized carbon nanotubes (CNTsf) were synthesized by in situ emulsion polymerization (IEP). Carbon nanotubes were synthesized by chemical vapor deposition (CVD) and purified with steam. Purified CNTs were analyzed by FE-SEM and HR-TEM. CNTsf contain acyl chloride groups attached to their surface. Purified and functionalized CNTs were studied by FT-IR and Raman spectroscopies. The synthesized nanocomposites were studied by XPS, 13C-NMR, and DSC. Anhydride groups link CNTsf to MAA–BA polymeric chains. The potentiality of the prepared nanocomposites, and of their pure polymer matrices to deliver hydrocortisone, was evaluated in vitro by UV–VIS spectroscopy. The relationship between the chemical structure of the synthesized nanocomposites, or their pure polymeric matrices, and their ability to release hydrocortisone was studied by FT-IR spectroscopy. The hydrocortisone release profile of some of the studied nanocomposites is driven by a change in the inter-associated to self-associated hydrogen bonds balance. The CNTsf used to prepare the studied nanocomposites act as hydrocortisone reservoirs.


2015 ◽  
Vol 12 (2) ◽  
pp. 189 ◽  
Author(s):  
Jun Wang ◽  
Huijie Li ◽  
Yong Chen ◽  
Yuan Fang ◽  
Zongping Wang ◽  
...  

Environmental context Fulvic acids account for a large proportion of dissolved organic matter in aquatic environments and affect the transportation and bioavailability of organic and inorganic pollutants. The structural and spectroscopic characteristics of fulvic acids mainly depend on the sources, seasons and anthropogenic activity. We present an advanced approach using fluorescence spectroscopy as a rapid and cost-effective method to investigate the composition, properties and origins of fulvic acids. Abstract Fulvic acids (FAs) isolated seasonally from the sediments of East Lake and Liangzi Lake in central China were comparatively investigated. The structural features of the FAs were characterised using chemical and spectroscopic methods, including elemental analysis, UV-Vis spectroscopy, Fourier-transform infrared (FT-IR) spectroscopy, and three-dimensional excitation emission matrix (EEM) fluorescence spectroscopy coupled with parallel factor analysis (PARAFAC). The O/C, (O+N)/C and C/N ratios of FA extracted from Liangzi Lake (FAL) were higher than those of FA extracted from East Lake (FAE), indicating higher oxygen-containing functionality and polarity and less nutrient in FAL compared with FAE. The two FAs had similar UV-Vis spectra with different absorbance intensities. The FT-IR spectra showed that the two FAs had similar functional groups. The total fluorescence intensity and aromaticity of samples from Liangzi Lake were higher than those of East Lake except for those taken in the summer. The two FAs were largely terrestrially derived organic materials. Five fluorescent components, including four humic-like and two fulvic-like components, were identified by PARAFAC modelling of the EEM spectral data. The fluorescence was dominated by two components. The findings suggest that EEM fluorescence spectroscopy together with PARAFAC is a rapid and cost-effective method for understanding the characteristics and origins of FAs in natural water systems.


Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 4041
Author(s):  
Adriana Cecilia Csakvari ◽  
Cristian Moisa ◽  
Dana G. Radu ◽  
Leonard M. Olariu ◽  
Andreea I. Lupitu ◽  
...  

Cannabis sativa L. (hemp) is a plant used in the textile industry and green building material industry, as well as for the phytoremediation of soil, medical treatments, and supplementary food products. The synergistic effect of terpenes, flavonoids, and cannabinoids in hemp extracts may mediate the biogenic synthesis of metal nanoparticles. In this study, the chemical composition of aqueous leaf extracts of three varieties of Romanian hemp (two monoecious, and one dioecious) have been determined by Fourier-Transformed Infrared spectroscopy (FT-IR), high-performance liquid chromatography, and mass spectrometry (UHPLC-DAD-MS). Then, their capability to mediate the green synthesis of silver nanoparticles (AgNPs) and their pottential antibacterial applications were evaluated. The average antioxidant capacity of the extracts had 18.4 ± 3.9% inhibition determined by 2,2-diphenyl-1-picrylhydrazyl (DPPH•) and 78.2 ± 4.1% determined by 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS™) assays. The total polyphenolic content of the extracts was 1642 ± 32 mg gallic acid equivalent (GAE) L−1. After this, these extracts were reacted with an aqueous solution of AgNO3 resulting in AgNPs, which were characterized by UV−VIS spectroscopy, FT-IR, scanning electron microscopy (SEM-EDX), and dynamic light scattering (DLS). The results demonstrated obtaining spherical, stable AgNPs with a diameter of less than 69 nm and an absorbance peak at 435 nm. The mixture of extracts and AgNPs showed a superior antioxidant capacity of 2.3 ± 0.4% inhibition determined by the DPPH• assay, 88.5 ± 0.9% inhibition as determined by the ABTS•+ assay, and a good antibacterial activity against several human pathogens: Escherichia coli, Klebsiella pneumoniae, Pseudomonas fluorescens, and Staphylococcus aureus.


2018 ◽  
Vol 38 ◽  
pp. 02019
Author(s):  
Yong-xin Zhao ◽  
Ying-qiang Zhang

Highly transparent silicone resin with self-crosslinking structure was prepared using phenyltrimethoxysilane, diphenyldimethoxysilane, 1,3,5,7-cyclotetra(methyl siloxane) and bisvinyltetramethyldisiloxane as main raw materials. The structure of silicone resin was determined by Fourier Transform Infrared Spectroscopy (FT-IR). The light transmittance was measured by UV-Vis spectroscopy. Thermogravimetric analysis (TGA) was used to study the thermal decomposition process. The microstructure of cured self-crosslinking silicone resin is more uniform, resulting in better light transmittance up to 100% in the range of 400nm ~ 800nm. The cured has relatively good heat resistance, the initial thermal decomposition temperature of the cured could be up to 315.8 °C. SEM observations show that the self-crosslinking silicone has a uniform, textured structure, higher transparency compared with the existing condensation silicone material, and can be used as advanced architectural translucent materials and optics packaging materials.


2017 ◽  
Vol 73 (11) ◽  
pp. 1024-1029
Author(s):  
Dharmalingam Sivanesan ◽  
Min Hye Youn ◽  
Ki Tae Park ◽  
Hak Joo Kim ◽  
Andrews Nirmala Grace ◽  
...  

The crystal structures of mono- and dinuclear CuII trifluoromethanesulfonate (triflate) complexes with benzyldipicolylamine (BDPA) are described. From equimolar amounts of Cu(triflate)2 and BDPA, a water-bound CuII mononuclear complex, aqua(benzyldipicolylamine-κ3 N,N′,N′′)bis(trifluoromethanesulfonato-κO)copper(II) tetrahydrofuran monosolvate, [Cu(CF3SO3)2(C19H19N3)(H2O)]·C4H8O, (I), and a triflate-bridged CuII dinuclear complex, bis(μ-trifluoromethanesulfonato-κ2 O:O′)bis[(benzyldipicolylamine-κ3 N,N′,N′′)(trifluoromethanesulfonato-κO)copper(II)], [Cu2(CF3SO3)4(C19H19N3)2], were synthesized. The presence of residual moisture in the reaction medium afforded water-bound complex (I), whereas dinuclear complex (II) was synthesized from an anhydrous reaction medium. Single-crystal X-ray structure analysis reveals that the CuII centres adopt slightly distorted octahedral geometries in both complexes. The metal-bound water molecule in (I) is involved in intermolecular O—H...O hydrogen bonds with triflate ligands and tetrahydrofuran solvent molecules. In (II), weak intermolecular C—H...F(triflate) and C—H...O(triflate) hydrogen bonds stabilize the crystal lattice. Complexes (I) and (II) were also characterized fully using FT–IR and UV–Vis spectroscopy, cyclic voltammetry and elemental analysis.


2008 ◽  
Vol 5 (2) ◽  
pp. 285-296
Author(s):  
Baghdad Science Journal

A new Schiff base o-hydroxybenzylidene-1-phenyl-2,3-dimethyl-4-amino-3-pyrazolin-5-on (HL) ,have been prepared and characterization.(HL) has been used as a chelating ligand to prepare a number of metal complexes VO(II) ,Cr(III) ,Mn(II),Fe(II),Hg(II) and UO2(II) .and mixed ligands complexes have been prepared between o-hydroxybenzylidene-1-phenyl-2,3-dimethyl-4-amino-3-pyrazolin-5-on and 8- hydroxy quinoline with VO(II),Zn(II),Cd(II), Hg(II) and UO2(II) the prepared complexes were isolated and characterized by (FT-IR)and (UV-Vis) spectroscopy. Elemental analysis (C.H.N) Chloride contents, Flame atomic absorption technique. in addition to magnetic susceptibility and conductivity measurement. Molar ratio measurement in solution gave comparable results with those obtained from solid state study.


2021 ◽  
Vol 33 (2) ◽  
pp. 393-398
Author(s):  
Mohd Sani Sarjadi ◽  
Yap Leong Khen ◽  
Xin Lin Wong ◽  
Zuhair Jamain ◽  
Md Lutfor Rahman

Many researches have been done to obtain a low band gap and high Polymeric solar cell (PSCs) polymer either by creating new polymer or revising reported polymers from previous studies. In present work, two new copolymers were synthesized through direct arylation polymerization to produce poly(9,9-didodecylfluorene-alt-benzo[c][1,2,5]thiadiazole (P1) and poly(9,9-didodecylfluorene-altthieno[ 3,2-b]thiophene) (P2). The P1 and P2 are donor-accepter copolymers. P1 and P2 were compared to investigate its suitability to be applied in PSCs. The polymers obtained were characterized using FT-IR, NMR and UV-Vis spectroscopy. P1 shows two adsorption bands at λmax1 = 243 nm and λmax2 = 320 nm, whereas P2 also shows two adsorption bands at λmax1 = 243 nm and λmax2 = 427 nm. The optical band gap was calculated, P1 enabled band gap of 3.88 eV while P2 showed band gap of 2.91 eV. This work could be provided an insight to design and synthesize more efficient fluorene-based copolymers as active layer of PSCs in due course.


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