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Plasma synthesized 2-furaldehyde (PPFDH) amorphous polymer thin films of varying thicknesses were prepared in optimum conditions by a capacitively coupled parallel plate glow discharge reactor at room temperature. The structure, morphology, composition and optical properties of deposited PPFDH thin films have been investigated using X-Ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, Scanning electron microscopy (SEM), Energy dispersive X-Ray spectroscopy (EDS), as well as Ultraviolet–visible (UV–vis) absorption spectroscopy. XRD results confirmed the amorphous nature of the films. The smooth and uniform nature of the PPFDH thin films were observed by SEM images. FTIR analyses of monomer FDH and PPFDH thin films show that structural rearrangement has occurred due to the synthesis process taking place in the chemical structure. IR stretching bands obtained from DFT calculations of the optimized structures of monomer and polymer of 2-furaldehyde are in good agreement with the experimental results. UV–vis absorption spectra in transmittance as well as reflectance mode was utilized to compute absorption coefficient, allowed direct and indirect transition energy gaps, band edge sharpness, Urbach energy, steepness parameter, extinction coefficient, and dispersion and oscillator energy. The oscillator strength, moments of optical spectra, refractive index at infinite wavelength, high frequency dielectric constant, average oscilator strength, complex refractive index, dissipation factor, optical conductivity and skin depth were also determined by using measured UV–vis transmittance and reflectance spectra. [ABSTRACT FROM AUTHOR]

The focus of the present work was to investigate the interaction of the anticancer drug mitoxantrone with two bile salts, sodium taurodeoxycholate (NaTDC) and sodium taurocholate (NaTC). Ultraviolet-visible (UV-Vis) absorption and electron paramagnetic resonance (EPR) spectroscopy were used to quantify the interaction and to obtain information on the location of mitoxantrone in bile salt micelles. The presence of submicellar concentrations of both bile salts induces mitoxantrone aggregation and the extent of drug aggregation in NaTDC is higher than in NaTC. For micellar bile salts concentrations, mitoxantrone monomers are entrapped in the micellar core. Binding constants, micelle/water partition coefficients and the corresponding thermodynamic parameters for binding and partitioning processes were estimated using the changes in monomer absorbance in the presence of bile salts. Binding interaction of mitoxantrone is stronger for NaTDC than NaTC micelles, whereas partitioning efficiency is higher for NaTC micelles for all investigated temperatures. Thermodynamic parameters indicate that both binding and partitioning processes are spontaneous and entropy controlled. The spectral behavior and thermodynamic parameters indicate distinct types of mitoxantrone interaction with NaTDC and NaTC micelles supported by the differences in nature and structure of bile salts micelles. [ABSTRACT FROM AUTHOR]

The reaction mechanism of cefonicid sodium with bovine serum albumin was investigated by traditional fluorescence spectroscopy and synchronous fluorescence spectroscopy. The results demonstrated that cefonicid sodium caused a strong fluorescence quenching of bovine serum albumin through a static quenching mechanism, during which the electrostatic force played the dominant role in this system, and the number of binding sites in the system was close to 1. It also showed that the primary binding site for cefonicid sodium was closer to tryptophan residues located in sub-hydrophobic domain IIA. Moreover, circular dichroism spectroscopy showed that the secondary structure of bovine serum albumin changed. The donor-to-acceptor distance r < 8 nm indicated that the static fluorescence quenching of bovine serum albumin was a nonradiation energy transfer process. The data obtained from Δλ = 60 nm and λ = 295 nm indicated that synchronous fluorescence spectroscopy had higher sensitivity and accuracy compared to traditional fluorescence spectroscopy. [ABSTRACT FROM AUTHOR]

A highly sensitive and selective ratiometric sensor for the quantification of cyanide (CN − ) in aqueous samples has been developed using spherical gold nanoparticles (AuNPs) stabilized by polysorbate 40 (PS-40). Three different AuNP sizes (14, 40 and 80 nm mean diameters) were used to evaluate the response of the sensor using both colorimetric and Resonance Rayleigh Scattering (RRS) detection schemes. The best results were obtained for the sensor using 40 nm AuNPs, for which the limits of detection (LODs) were found to be 100 nmol L −1 in a benchtop instrument and 500 nmol L −1 by the naked eye, values well below the maximum acceptable level for drinking water (1.9 µmol L −1 ) set by the World Health Organization (WHO). The practical use of the 40 nm-AuNPs RRS sensor was demonstrated with the determination of CN − in drinking and fresh waters. Finally, the sensor was successfully implemented in a compact portable device consisting of two light-emitting diodes (LEDs) and a miniature spectrometer, turning this sensor into a very potent tool for its application as a quick routine field-deployable analytical method. [ABSTRACT FROM AUTHOR]

The interactions of keyhole limpet hemocyanin (KLH) with chromium nitrate, potassium dichromate, and chromate were investigated using fluorescence, UV-vis absorption and circular dichroism (CD) spectroscopy under simulated physiological conditions. The experimental results showed that the different forms of chromium could quench the intrinsic fluorescence of KLH following a static quenching mechanism rather than by dynamic collision, which indicated that a Cr-KLH complex was formed. The Stern-Volmer quenching constants for the interaction indicated that the binding reaction of KLH with Cr(VI) was stronger the binding of KLH with Cr(III). The thermodynamic values for binding of Cr(VI) to KLH are ΔH > 0 and ΔS > 0. By contrast, the values for the interaction of Cr(III) with KLH are ΔH < 0 and ΔS < 0. The results of synchronous fluorescence, UV-vis absorption and CD spectroscopy showed that the α-helical secondary structure and conformation of KLH were altered by different forms of chromium. Copyright © 2016 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

L-Ascorbic acid, α -tocopherol, procyanidin B3, β-carotene and astaxanthin are five classic dietary antioxidants. In this study, the interaction between the five antioxidants and ovalbumin was investigated by fluorescence spectroscopy, in combination with UV-vis absorption spectroscopy and circular dichroism (CD) spectroscopy. The quenching mechanism of ovalbumin by α -tocopherol is static quenching and the interaction between α-tocopherol and ovalbumin is synergistically driven by enthalpy and entropy. Electrostatic interactions and hydrophobic interactions play a major role in stabilizing the complex. For the other four antioxidants, the quenching mechanisms are all static quenching mechanisms at lower concentrations of antioxidants, but at higher concentrations of antioxidants, predominantly by the 'sphere of action' quenching mechanisms. The binding processes of the other four antioxidants to ovalbumin are all entropy process and the major part of the action force is hydrophobic interactions. The binding constants of ovalbumin with the five antioxidants are in the following order as: astaxanthin > β-carotene > L-ascorbic acid > procyanidin B3 > α-tocopherol at 298 K. Synchronous fluorescence spectroscopy shows the interaction between L-ascorbic acid/β-carotene/astaxanthin and ovalbumin decreases the hydrophobicity of the microenvironment of tryptophan (Trp) and tyrosine (Tyr) residues. The hydrophobicity of Trp is increased while the hydrophility of Tyr is increased in the presence of α-tocopherol. However, the microenvironment of Trp and Tyr is not affected by procyanidin B3. The UV-vis absorption and CD spectra suggest that the interaction between the five antioxidants and ovalbumin leads to the loosening and unfolding of ovalbumin skeleton and exerts some influence on the natural secondary structure of ovalbumin. The study provides an accurate and full basic data for clarifying the binding mechanisms of L-ascorbic acid, α -tocopherol, procyanidin B3, β-carotene and astaxanthin interacting with ovalbumin and is helpful for understanding rational use of antioxidants as dietary supplements. [ABSTRACT FROM AUTHOR]

The UV-Vis absorption spectra of ribavirin in the absence and presence of calf thymus DNA are presented and discussed in this paper. The molecular structure of ribavirin was investigated by the semiempirical AM1 method, which triggered two polymorphic modifications of the antiviral drug also reported in the literature. Our experimental results point out two types of the binding. The first type involves a non-electrostatic (internal) binding, consisting of the intercalation of drug between the nitrogenous bases of nucleic acid. The second type (an external binding) involves the drug binding to the nucleic acid grooves. In addition, the binding constant of the second process has an order of magnitude greater than the binding constant for the first process, calculated by the Benesi-Hildebrand, Scott, and Scatchard methods, which supposes a 1:1 binding ratio. Also, the interactions of two polymorphic modifications of ribavirin (V1 and V2) with nucleic acids by the molecular mechanic and semiempirical AM1 methods were analyzed. The experimental data pointed out that in the ribavirin-nucleic acid complexes, the 1,2,4-triazole-3-carboxamide chromophore is intercalated between the bases of the nucleic acid sequences, the carboxamidic group is set outside of the nucleic acid sequence toward the major groove, and the 2-hydroxymethyl-tetrahydrofuran-3,4-diol fragment is located in the minor groove. In order to stress the sequence specificity of ribavirin, different models of the nucleic acid sequences containing adenine (A), thymine (T), cytosine (C), and guanine (G) in AAAAAA, TTTTTT, CCCCCC, GGGGGG, ATATAT, CGCGCG, ATCGAT, and CGATCG were used. The theoretical results outline the differences in the contributions of the electrostatic and van der Waals interactions to the total binding energy and the preference of ribavirin for the binding at the sequences of nucleic acids containing adenine and thymine bases. [ABSTRACT FROM AUTHOR]

Multilayer films can be precisely engineered on solid substrate via layer-by-layer (LbL) self-assemble technique using negatively charged organic dye and positively charged polyelectrolytes or surfactants. This communication first time reports the successful incorporation of an anionic dye Niagara blue (NB) in Polyallylamine hydrochloride (PAH) by electrostatic sequential alternative LbL adsorption. The photo-physical characteristics of LbL films are investigated by varying different parameters such as number of deposited layer, dipping time in dye solution, pH of PAH solution, concentration of the dye, etc. In addition, the interaction of NB with double tail surfactant Didodecyl dimethyl ammonium bromide (DDAB) at different concentrations is also studied in the light of UV-Vis absorption spectroscopy. Spectroscopic analysis reveals that NB has been successfully anchored to PAH or DDAB through electrostatic self-assembled technique and forms molecular aggregates. The formation of aggregates is further confirmed by atomic force microscopic (AFM) study. [ABSTRACT FROM AUTHOR]

The use of deoxyribonucleic acid (DNA) oligonucleotides has proven to be a powerful and versatile strategy to assemble nanomaterials into two (2D) and three-dimensional (3D) superlattices. With the aim of contributing to the elucidation of the factors that affect the stability of this type of superlattices, the assembly of gold nanoparticles grafted with different DNA oligonucleotides was characterized by UV-Vis absorption spectroscopy as a function of temperature. After establishing an appropriate methodology the effect of (i) the length of the grafted oligonucleotides; (ii) the length of their complementary parts and also of (iii) the simultaneous grafting of different oligonucleotides was investigated. Our results indicate that the electrostatic repulsion between the particles and the cooperativity of the assembly process play crucial roles in the stability of the assemblies while the grafting density of the oligonucleotide strands seems to have little influence.

[Display omitted] • Mechanism of gas sensing determined by spectroscopic methods. • A selective enhancement in the Raman peak of V 2 O 5 corresponding to the V–O (vanadyl) bond vibration on the adsorption of NH 3 is observed. • Accumulation of charge cloud around the vanadyl oxygen of V 2 O 5 nanoparticles upon NH 3 gas molecules exposure confirms that the vanadyl O sites are actively taking part in sensing mechanism. • The photoluminescence and UV–vis absorption studies in the presence of NH 3 revealed an electron doping to an energy level at 1.8 eV, resulting in the conduction band filling and an increase in the optical band gap. In the present study, a multi-modal approach consisting of in-situ photoluminescence, Raman, and UV-Vis absorption spectroscopic studies is carried out along with chemiresistive sensing to unveil the mechanism of NH 3 gas sensing by V 2 O 5 nanoparticles in ambient air. V 2 O 5 nanoparticles with an average size of 49 nm show a superior sensor response of 17 ± 1.5 % towards 1 ppm of NH 3 gas with a response and recovery time of 96 s and 45 s, respectively. The photoluminescence and UV-Vis absorption studies in the presence of NH 3 reveal electron doping to a new energy level at 1.84 eV, resulting in conduction band filling and increase in the optical band gap. The intensity of the photoluminescence spectrum shows an increase in the presence of NH 3 gas as a result of this electron doping. The sensor response from the optical sensing carried out by in-situ photoluminescence study is 43 % for 40 ppm of NH 3 gas. The vanadyl oxygen site is the most active in the sensing process, as evident by a selective enhancement in the intensity of V–O (vanadyl) bond vibration. This study gives an experimental evidence for the changes in optical and electronic properties of V 2 O 5 on the adsorption of NH 3 gas molecules. [ABSTRACT FROM AUTHOR]

Hudson Bay and James Bay are fed by numerous rivers, which also deliver large amounts of dissolved organic matter (DOM). The objective of this study is to assess Hudson Bay wide DOM spatial distribution using ultraviolet-visible light absorption and excitation-emission matrix fluorescence spectroscopies. Overall, a five-component PARAFAC model was validated using 1060 discrete samples collected over nine field campaigns between 2009 and 2018 and including the first samples from James Bay (n = 112). Regional and seasonal variations were observed. Particularly striking was a 9-fold difference in concentration between coastal and marine zones of these bays, which implies limited mixing between those regions. Seasonal variations in absorption coefficient at 355 nm and terrestrial humic-like components were found only in east Hudson Bay, revealing a regional disparity in seasonal DOM behaviour. The summer intensities and relative abundances of DOM revealed that cyclonic circulation transports terrestrial DOM around James Bay following its eastern shores before being transported northward along the western coast of Belcher Islands. The vertical distribution of DOM indicated that fluorescent DOM is delivered to the deeper layer by winter convective mixing in northern Hudson Bay. • Limited mixing between the coastal and marine regions of the bay is observed. • The strong terrestrial signal of east James Bay is found in northern Belcher Island. • DOM is delivered to the deeper layer by winter convection in northern Hudson Bay. [ABSTRACT FROM AUTHOR]

The interaction between cefuroxime sodium and transferrin in physiological buffer (pH 7.4) was investigated by spectroscopy at 298, 310, and 318 K. The analysis of data indicated that quenching mechanism of the transferrin–cefuroxime sodium system was probably static. The electrostatic force played an important role in the conjugation reaction between transferrin and cefuroxime sodium. The order of magnitude of binding constants (Ka) was 104, and the number of binding site (n) in the binary system was approximately equal to 1. Besides, the values of Hill’s coefficients were lager than 1, which indicated very weakly positive cooperativity in the transferrin–cefuroxime sodium system. The synchronous fluorescence spectra and circular dichroism spectra revealed that the microenvironment and the conformation of transferrin were changed during the binding reaction. [ABSTRACT FROM AUTHOR]

This communication reports the fabrication of layer-by-layer electrostatic self-assembled films of an azo dye Chromotrope-2R (CH2R) and a Polycation poly(allylamine hydrochloride) (PAH) onto solid substrate. UV–vis absorption and steady state fluorescence emission spectroscopy successfully confirm the incorporation of dye molecules onto the PAH coated quartz substrate. The adsorption behavior of CH2R onto PAH backbone in LbL films highly depends upon the variation of the microenvironment namely pH of the dye solution from which the film was fabricated. PAH layer onto quartz substrate was able to swell sufficiently in the dye solution at very high pH. The Density functional theory was also utilized here to explain the origin of various spectral transitions from the ground electronic states for both in neutral and anionic form of CH2R. In LbL films the more closure association of dye molecules causes their aggregations which are reflected in their absorption and steady state fluorescence emission spectra when compared to those of pure dye solution. Atomic force microscopic images of LbL films assembled from CH2R aqueous solution at different pH clearly reveal the change in the surface morphology of the films and different degree of association of dye molecules in LbL films deposited at various pH of CH2R. [ABSTRACT FROM AUTHOR]

In the present study, pure ZnO and Fe-doped ZnO (Zn0.97Fe0.03O) nanoparticles were synthesized by simple coprecipitation method with zinc acetate, ferric nitrate and sodium hydroxide precursors. Pure ZnO and Fe-doped ZnO were further calcined at 450 °C, 600 °C and 750 °C for 2 h. The structural, morphological and optical properties of the samples were characterized by X-ray diffractometer (XRD), scanning electron microscope (SEM), energy dispersive spectroscopy (EDS) and UV-Vis absorption spectroscopy. The X-ray diffraction studies revealed that the as-synthesized pure and doped ZnO nanoparticles have hexagonal wurtzite structure. The average crystallite size was calculated using Debye-Scherrer's formula. The particle size was found to be in nano range and increased with an increase in calcination temperature. SEM micrographs confirmed the formation of spherical nanoparticles. Elemental compositions of various elements in pure and doped ZnO nanoparticles were determined by EDX spectroscopy. UV-Vis absorption spectra showed red shift (decrease in band gap) with increasing calcination temperature. Effect of calcination on the magnetic properties of Fe-doped ZnO sample was also studied using vibrating sample magnetometer (VSM). M-H curves at room temperature revealed that coercivity and remanent polarization increase with an increase in calcination temperature from 450 °C to 750 °C, whereas reverse effect was observed for magnetization saturation. [ABSTRACT FROM AUTHOR]

In the present study, an efficient biosurfactant producing bacterial strain Pseudomonas aeruginosa MKVIT3 was isolated from an oil logging area in Vellore district of Tamil Nadu, India. Liquid chromatography–mass spectrometry (LC‐MS/MS) analysis was performed for the identification of different congeners present in the extracted biosurfactant. The column purified biosurfactant was used to stabilise the formation of silver nanoparticles (NP) using borohydrate reduction in reverse micelles. The silver NP were characterised using UV‐vis absorption spectroscopy, Powder‐XRD TEM analysis and zeta potential. A comparative study of the antimicrobial activity and cytotoxic efficacy was done for the extracted purified biosurfactant and the silver NP. The LC‐MS/MS analysis of the biosurfactant revealed the presence of five rhamnolipid congeners. The synthesised silver NP showed the characteristic absorption peak in UV‐vis at 440 nm. Powder‐XRD and TEM analysis revealed the average particle size of the NP as 17.89 ± 8.74 nm as well as their cubic structure. Zeta potential value of −30.9 mV suggested that the silver NPs are stable in the suspension. Comparative study of the antimicrobial activity revealed that the silver NP are more potent than the biosurfactant in inhibiting the growth of microbes. Cytotoxic activity revealed that the biosurfactant are more effective than the synthesised silver NP. [ABSTRACT FROM AUTHOR]

Tuberculous meningitis (TBM) is a very common infectious disease in the central nervous system. The delay of diagnosing and treating TBM will lead to high disability and mortality of TBM. Hence, it is very important to promptly diagnose TBM early. In this work, we proposed a new method for diagnosing TBM with CSF samples by using UV–Vis absorption spectroscopy. CSF samples from TBM patients and non-TBM persons were compared, and the sensitivity, specificity, accuracy, positive predictive value reached 83.6%, 69.8%, 77.2%, 76.1% respectively. Our work indicated investigation of CSF using UV–Vis absorption spectroscopy might become a potentially useful method for TBM diagnosis. [ABSTRACT FROM AUTHOR]

Pyrene has been used as a probe molecule to investigate the interactions in the mixture of the ionic liquid N -butylpyridinium tetrafluoroborate ([BPy][BF 4 ]) and acetonitrile (MeCN) by ultraviolet–visible (UV–vis) spectroscopy. The results show that an obvious red-shift of characteristic absorption spectra of pyrene was observed with the adding of [BPy][BF 4 ] to its acetonitrile solution. The position of absorption peaks was only relative to the fraction of [BPy][BF 4 ] and almost did not change with the concentration of pyrene. When measurements were carried out in other ionic liquids, similar results were obtained. However, the hyperchromic effect was observed in [BPy][BF 4 ] and the hypochromic effect was observed in [BPy][NTf 2 ] (N-butylpyridinium bis((trifluoromethyl)sulfonyl)imide) for the maximum absorption peak near 335 nm. The local microstructure transformation of [BPy][BF 4 ]/MeCN mixed solutions could be indicated by results for the electrical conductivity and viscosity. It was concluded that the red-shift was induced not only by the polarity change of the solution but also by the local microstructure and the solvent–solute interaction. [ABSTRACT FROM AUTHOR]

The lux -operon of bioluminescent bacteria contains the genes coding for the enzymes required for light emission. Some species of Photobacteria feature an additional gene, luxF , which shows similarity to luxA and luxB , the genes encoding the heterodimeric luciferase. Isolated dimeric LuxF binds four molecules of an unusually derivatized flavin, i.e., 6-(3′-( R )-myristyl)-FMN (myrFMN). In the present study we have heterologously expressed LuxF in Escherichia coli BL21 in order to advance our understanding of the protein's binding properties and its role in photobacterial bioluminescence. Structure determination by X-ray crystallography confirmed that apo-LuxF possesses four preorganized binding sites, which are further optimized by adjusting the orientation of amino acid side chains. To investigate the binding properties of recombinant LuxF we have isolated myrFMN from Photobacterium leiognathi S1. We found that LuxF binds myrFMN tightly with a dissociation constant of 80 ± 20 nM demonstrating that the purified apo-form of LuxF is fully competent in myrFMN binding. In contrast to LuxF, binding of myrFMN to luciferase is much weaker ( K d = 4.0 ± 0.4 μM) enabling LuxF to prevent inhibition of the enzyme by scavenging myrFMN. Moreover, we have used apo-LuxF to demonstrate that myrFMN occurs in all Photobacteria tested, irrespective of the presence of luxF indicating that LuxF is not required for myrFMN biosynthesis. [ABSTRACT FROM AUTHOR]

β-Carotene and astaxanthin are two carotenoids with powerful antioxidant properties. In this study, the interaction of these two carotenoids with human serum albumin (HSA) and bovine serum albumin (BSA) under physiological conditions was investigated using several spectroscopic techniques. The experimental results indicate the quenching mechanism of HSA/BSA, by the two carotenoids, is a static process. The binding constants and number of binding sites were evaluated at different temperatures. Thermodynamic investigations revealed the interaction between the two carotenoids and HSA/BSA is synergistically driven by enthalpy and entropy, and hydrophobic forces and electrostatic attraction have a significant role in the reactions. Binding site I was found to be the primary binding site for β-carotene and astaxanthin. In addition, as shown by synchronous fluorescence spectroscopy and FT-IR, the two carotenoids may induce conformational and micro-environmental changes in HSA/BSA. [ABSTRACT FROM AUTHOR]

In this study, the interaction between (+)-catechin and bovine serum albumin (BSA) was investigated using isothermal titration calorimetry (ITC), in combination with fluorescence spectroscopy, UV–vis absorption spectroscopy, and Fourier transform infrared (FT-IR) spectroscopy. Thermodynamic investigations reveal that the electrostatic interaction and hydrophobic interaction are the major binding forces in the binding of (+)-catechin to BSA. The binding of (+)-catechin to BSA is synergistically driven by enthalpy and entropy. Fluorescence experiments suggest that (+)-catechin can quench the fluorescence of BSA through a static quenching mechanism. The obtained binding constants and the equilibrium fraction of unbound (+)-catechin show that (+)-catechin can be stored and transported from the circulatory system to reach its target organ. Binding site I is found to be the primary binding site for (+)-catechin. Additionally, as shown by the UV–vis absorption, synchronous fluorescence spectroscopy and FT-IR, (+)-catechin may induce conformational and microenvironmental changes of BSA. [ABSTRACT FROM AUTHOR]

Understanding the relationship between Cu and Cu-hyperaccumulator lichens is important for their application in monitoring and assessing heavy metal pollution. We investigated the Cu-hyperaccumulator lichen Stereocaulon japonicum at several Cu-polluted and control sites in Japan, and found the lichen to be widely distributed. Its concentrations of Cu, chlorophylls, and secondary metabolites, chlorophyll-related indices, and absorption spectra were measured, and we observed negative effects of Cu on these concentrations and indices. For highly Cu-polluted samples (>100 ppm dry weight), however, we found significant linear correlations between Cu and chlorophyll concentrations. This can be considered as the response of the photobiont in S. japonicum to Cu stress. In highly Cu-polluted samples the chlorophyll-related indices and concentration of total secondary metabolites were almost constant regardless of Cu concentration. This suggests that the increase in chlorophyll concentration with the increase in Cu concentration enhances photosynthetic productivity per unit biomass, which will allow the production of extra structure and energy for maintaining the chlorophyll-related indices under Cu stress. The relationship between the increase in chlorophyll concentration of S. japonicum and the decrease in secondary metabolite concentration of the lichen can be explained by considering the balance of carbohydrates in the lichen. We found that a spectral index A 372 − A 394 can be a useful index of the concentrations of Cu and total secondary metabolites in S. japonicum . These findings show the adjustment of the content of chlorophylls and secondary metabolites in S. japonicum to Cu stress, and provide a better understanding of the relationship between Cu and the Cu-hyperaccumulator lichen. [ABSTRACT FROM AUTHOR]

Albumin represents a very abundant and important circulating antioxidant in plasma. DPPH radical is also called 2,2-diphenyl-1-picrylhydrazyl. It has been widely used for measuring the efficiency of antioxidants. In this paper, the ability of human serum albumin (HSA) to scavenge DPPH radical was investigated using UV–vis absorption spectra. The interaction between HSA and DPPH was investigated in the absence and presence of eight popular antioxidants using fluorescence spectroscopy. These results indicate the antioxidant activity of HSA against DPPH radical is similar to glutathione and the value of IC 50 is 5.200 × 10 − 5 mol L − 1 . In addition, the fluorescence experiments indicate the quenching mechanism of HSA, by DPPH, is a static process. The quenching process of DPPH with HSA is easily affected by the eight antioxidants, however, they cannot change the quenching mechanism of DPPH with HSA. The binding of DPPH to HSA primarily takes place in subdomain IIA and exists two classes of binding sites with two different interaction behaviors. The decreased binding constants and the number of binding sites of DPPH with HSA by the introduction of the eight antioxidants may result from the competition of the eight antioxidants and DPPH binding to HSA. The binding of DPPH to HSA may induce the micro-environment of the lone Trp-214 from polar to slightly nonpolar. [ABSTRACT FROM AUTHOR]

A natural orange diamond crystal from Siberian kimberlite has been studied using complementary spectroscopic techniques. The IR-spectra of the crystal revealed presence of low concentration of nitrogen A, B and C centers. In addition to these common defects a Y-center and 1240 cm band were clearly detected. Absorption UV-Vis spectra exhibited the 490 nm band and an unknown very broad band with diffuse maximum at 320-380 nm, with low energy edge extending far into the visible region. Photoluminescence spectra showed presence of N3, 440 nm, 455 nm, S1, 575.8 nm vibronic systems as well as zero-phonon lines at 418.2, 525.1, 560.8, 645.7 and 799.7 nm. Luminescence of the 575.8 nm system with broad vibronic band peaked at 690 nm noticeably contributes to the color of the diamond, i.e. its orange color is not only due to absorption but also to emission of light. Electron Paramagnetic Resonance revealed several structural defects: nitrogen-related P1, M5, M6 centers, oxygen-related OK1 and N3 centers, previously unreported nickel M7 center and tentatively phosphorus-related W24 center. The M5 and M6 centers involving two nitrogen atoms separated by ca. 8-10 interatomic distances represent an unusual long-range bonding. It is suggested that M6 and M7 might be related to the IR Y-center and to the broad band with maxima at 320-380 nm in the optical spectra of the diamond. [ABSTRACT FROM AUTHOR]

UV–vis absorption spectra of zinc tetraphenylporphine (ZnTPP) on interaction with six organophosphorus (OP) compounds in cyclohexane were compared using ab initio methods and the molecular and solvation ligand descriptors π * , V x , and σ . OPs with polarizable hydrocarbon substituents in the homologous series tri-ethyl, -pentyl, -octyl, and -phenyl phosphates and the toxicologically relevant methyl paraoxon ( 1a–e ) each gave a red shift in the Soret band ( λ sor ) of ZnTPP in the range of 8–10 nm. Sensitivity as Δ A sor-b /Δ ug OP for the spectral band of the ligand bound ZnTPP ( λ sor-b ) decreased with increasing extent of alkyl and aromatic substitution. Calculated and combined energies for OP and ZnTPP examined as a function of distance (Å) between ligand and porphyrin center suggest increased steric crowding with increasing V x , and aromatic content of the OP. Spectrally fitted K 1:1 and Δ A sor-b / ug OP each vary exponentially with V x / σ . Lack of a red shift in λ sor-b where ZnTPP was titrated with the toxic diethyl chlorophosphate ( 1g ) is consistent with a model in which the magnitude of Δ E sor is proportional to the donor capacity of the phosphoryl-O ligand. [ABSTRACT FROM AUTHOR]

Albumin represents a very abundant and important circulating antioxidant in plasma. In this paper, the ability of bovine serum albumin (BSA) to scavenge 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical has been investigated using UV–vis absorption spectra. The result shows that the antioxidant activity of BSA against DPPH radical is similar to glutathione and the value of IC 50 is 5.153×10 −5 mol L −1 . The interaction between BSA and DPPH has been investigated without or with the eight popular antioxidants ( l -ascorbic acid, α-tocopherol, glutathione, melatonin, (+)-catechin hydrate, procyanidine B3, β-carotene and astaxanthin) by means of fluorescence spectroscopy and circular dichroism (CD) spectroscopy. The fluorescence experiments show that DPPH quenches the fluorescence intensity of BSA through a static mechanism. The quenching process of DPPH with BSA is easily affected by the eight antioxidants, however, they cannot change the quenching mechanism of DPPH with BSA. Additionally, as shown by synchronous fluorescence spectroscopy and CD, DPPH may induce conformational and microenvironmental changes of BSA. [ABSTRACT FROM AUTHOR]

The continuous search for new molecules with therapeutic abilities has led to the synthesis and characterization of a large number of metal complexes, proven to exhibit potential as pharmacological agents through their antibacterial, antiviral, antifungal and antineoplastic properties. As serum albumins play a key role in drug pharmacokinetics and pharmacodynamics, the study of coordination compounds affinity towards this class of proteins, as well as understanding the mechanism through which they interact is crucial. The aim of this review is to focus on the structure and biological functions of bovine serum albumin, the design of metal complexes that are able to bind to the biomolecule, as well as the experimental techniques employed in the study and evaluation of these interactions. [ABSTRACT FROM AUTHOR]

The tautomeric equilibria between 2-pyridone and 2-hydroxypyridine forms of methoxy, chloro, and nitro derivatives of 3-cyano-4-(2-, 3-, and 4-substituted phenyl)-6-phenyl-2(1 H)-pyridones were evaluated from UV/Vis spectral data. Linear solvation energy relationships of Kamlet-Taft and Catalán-rationalized solvent have influence on tautomeric equilibria. Transmission of substituent effect was analyzed by the Hammett equation. Quantum chemical calculations were performed by density functional theory (B3LYP). The experimental data were interpreted with the aid of time-dependent density functional method. Electron density distribution was analyzed by Bader's analysis. It was found that substituents of different electronic properties change the extent of conjugation, and affect intramolecular charge transfer character. Theoretical calculations and experimental results gave insight into the influence of the molecular conformation on the transmission of substituent effects, as well as on contribution of different solvent-solute interactions. [ABSTRACT FROM AUTHOR]

Highlights: [•] Ga3+–HA can bind to Mb to form a stable complex. [•] The interaction follows the static quenching mechanism. [•] The microenvironment and conformation for Mb is changed in the presence of Ga3+–HA. [ABSTRACT FROM AUTHOR]

Highlights: [•] SRT interacts stronger with DM-βCD than with βCD. [•] The aromatic parts of SRT are included inside cavities of examined cyclodextrins. [•] Equilibrium of inclusion proceeds fast in both systems. [•] Enthalpic and entropic effects make a contribution to SRT association with CDs. [Copyright &y& Elsevier]

Abstract: Ascorbic acid, α-tocopherol and proanthocyanidins are three classic dietary antioxidants. In this study, the interaction between the three antioxidants and human serum albumin (HSA) was investigated by several spectroscopic techniques. Experimental results proved that the three antioxidants quench the fluorescence of HSA through a static (proanthocyanidins) or static-dynamic combined quenching mechanism (ascorbic acid and α-tocopherol). Thermodynamic investigations revealed that the combination between ascorbic acid or proanthocyanidins and HSA was driven mainly by electrostatic interaction, and the hydrophobic interactions play a major role for α-tocopherol-HSA association. Binding site I was found to be the primary binding site for ascorbic acid and proanthocyanidins, and site II for α-tocopherol. Additionally, the three antioxidants may induce conformational and microenvironmental changes of HSA. [Copyright &y& Elsevier]

Photodynamic therapy has the potential to be a new and effective cancer treatment. Even if in vitro and in vivo research show promise, the molecular mechanism remains unclear. In this study, molecular docking simulations predict the binding affinity of the 5,10,15,20-tetrakis(4'-sulfonatophenyl)-porphyrin tetraammonium photosensitizer on several potential targets in photodynamic treatment. Our results indicate that this photosensitizer binds to several receptor targets, including B-cell lymphoma 2 (BCL-2) and other related proteins BCL-xL, MCL-1, or A1. The binding affinity of the porphyrin derivative with human serum albumin was determined using UV-vis absorption spectroscopy and predicted using molecular docking. We conclude that the studied porphyrin photosensitizer binds to human serum albumin and may inhibit the cancer cell line through its interactions with HIS and MET AA residues from BCL-2, MCL-1, and β-catenin receptors or through its low estimated free energy of binding when interacting with A1 and BCL-B receptors.

Review of: Vinzenz Brinkmann, Oliver Primavesi, Max Hollein, (eds), Circumlitio. The Polychromy of Antique and Medieval Sculpture. Liebighaus Skulpturensammlung, Frankfurt am Main, 2010. New scientific methods now being applied to the analysis of traces of pigments and gilding on ancient Greek and Roman marble statuary, and other marble artefacts, have the potential to revolutionise our understanding of the relationship between form and colour in antiquity. At present the enquiry is still in its infancy, but the papers delivered at a conference held in Frankfurt in 2008, reviewed here, provide a general introduction to the subject and to a wide range of work in progress.

Highlights: [•] Three techniques (SPR, UV–vis and CV) are used to study the binding behavior between porphyrin and ctDNA. [•] The binding constants obtained from these three techniques at 298K are very close to each other. [•] We have found that 11-MUA modified gold film is more suitable for studying the DNA–drug interaction. [Copyright &y& Elsevier]

The use of deoxyribonucleic acid (DNA) oligonucleotides has proven to be a powerful and versatile strategy to assemble nanomaterials into two (2D) and three-dimensional (3D) superlattices. With the aim of contributing to the elucidation of the factors that affect the stability of this type of superlattices, the assembly of gold nanoparticles grafted with different DNA oligonucleotides was characterized by UV-Vis absorption spectroscopy as a function of temperature. After establishing an appropriate methodology the effect of (i) the length of the grafted oligonucleotides; (ii) the length of their complementary parts and also of (iii) the simultaneous grafting of different oligonucleotides was investigated. Our results indicate that the electrostatic repulsion between the particles and the cooperativity of the assembly process play crucial roles in the stability of the assemblies while the grafting density of the oligonucleotide strands seems to have little influence. [ABSTRACT FROM AUTHOR]

This work targets the development of a new technology for extraction of mycotoxins for possible applications in agriculture, food industry, environmental control, security, and medicine. For this purpose, MnCO microparticles were coated consecutively with layers of polystyrene sulfonate sodium salt and polyallylamine hydrochloride and then functionalized with antibodies specific to either zearalenone (ZON) or aflatoxin (AFT). The microparticles obtained were analyzed with scanning electron microscopy. The mycotoxin extraction was monitored by UV-visible absorption spectra measurements performed on aqueous solutions spiked with ZON and AFT before and after treatment with functionalized microparticles. [ABSTRACT FROM AUTHOR]

Complex concentration-dependence of surface-enhanced Raman scattering (SERS) and UV-Vis absorption of Ag-nanoparticles (AgNPs) mixed with Gly has been observed. Surprisingly, with decreasing Gly concentration, a new band in UV-Vis absorption of AgNPs/Gly mixtures is found to red-shift with increasing intensity, until a turning point at a critical concentration. Further diluting Gly, the new band blue-shifts with decreasing intensity. Similarly, the SERS intensities of Gly bands at 615 and 905 cm-1 consistently increase with decreasing Gly concentrations, reaching maxima at the critical concentration. This agrees consistently with the variation in position and intensity of the new developing plasmon absorption band. Interestingly, transmission electron microscopy (TEM) revealed Gly-induced modifications of AgNPs, including a reassembling and increasing aspect ratio with deceasing Gly concentration. The concentration-dependent behavior of UV-Vis absorption, SERS, and TEM of AgNPs/Gly mixtures could be due to the complex nature of Gly-AgNPs interaction depending on the molecular density, as supported by TEM images. Copyright © 2012 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Abstract: Spiro pyrrolidines, which were proved with diverse and potent biological activities and they were discovered widespread in nature. In this paper, using fluorescence and ultraviolet spectroscopy, we investigated the interactions between novel spiro pyrrolidine (NSP) and bovine serum albumin (BSA) under the imitated physiological condition. The results show that the NSP binds to BSA molecules. Static quenching and non-radiation energy transfer are the main reasons for fluorescence quenching. We calculated the binding constant (K a) and binding sites (n) at different temperatures and obtained the binding distance between the tryptophan residue in BSA and the NSP based on the Förster theory of non-radiation energy transfer. In addition, using synchronous fluorescence spectra, we demonstrated conformation changes of BSA caused by NSP. The comparison of binding potency of NSP and BSA suggests that the substituent on the benzene ring influences the binding ability of NSP and BSA. [Copyright &y& Elsevier]

Silica core–silver shell, silver nanoshells (NSs), have been synthesized by an innovative laser-based approach. The NSs’ nucleation and growth progressed upon the pulse strikes of a copper vapor laser on a colloidal solution containing silver and silica nanoparticles (NPs). The silver NPs were separately synthesized by ablation of a silver target in deionized water by a 1064 nm Q-switched Nd:YAG laser. The dependence of silver NSs’ growth on the laser exposure time has been systematically studied by UV–VIS absorption spectroscopy technique. Transmission electron microscopy was exploited as well to visually confirm the NSs’ evolution through the process. [ABSTRACT FROM PUBLISHER]

The interactions between the new organometallic complexes, ferrocene-substituted dithio- o-carborane conjugates (denoted as FcSB1, FcSB2 and FcSBCO) and hemoglobin (Hb) are investigated by electrochemistry, fluorescence and UV-vis absorption spectroscopy. The results demonstrate that FcSB1, FcSB2 and FcSBCO can bind to the heme iron center through the replacement of the weakly bound HO/O in the distal heme pocket of Hb by their sulfur donor atoms, inducing the allosteric change from the R state (oxygenated conformation, relax) to T state (deoxygenated conformation, tense). The binding affinity is in the order of FcSBCO>FcSB2>FcSB1. Moreover, the fluorescence study illustrates that the three ferrocene-carborane conjugates differently affect the quarterly and tertiary structures as well as the polarity in the surrounding of the Trp and Tyr residues in Hb. Typically, FcSB2 mainly induces alterations of the microenvironment around the β37Trp residue which is located on the αβ interface of Hb. Such distinct influences are attributed to the structural features of FcSB1, FcSB2 and FcSBCO containing hydrophobic ferrocenyl and carboranyl units as well as C=O group. Screening the protein-binding behavior can signify the potential bioactivity of such molecules and may be helpful in the future development of promising multifunctional metallodrugs. [ABSTRACT FROM AUTHOR]

Layer-by-Layer (LBL) self-assembled films of rose bengal (RB) have been fabricated onto quartz substrate by the alternative adsorption of polycation poly (amine hydrochloride) (PAH) and RB. UV-Vis absorption studies reveal the formation of RB dimmer in PAH-RB LbL films. Scanning Electron Micrograph (SEM) picture confirms the aggregation of RB molecules in LbL films. Almost 15 min is required to complete the interaction between RB and PAH molecules in the 1 bilayer LbL film. The dye (RB) was found to come off the film during the subsequent poly cation (PAH) deposition. As an alternative approach RB was anchored to the polycation PAH via physiadsorption and controlling the concentration of the combination of RB and PAH was used as polycation and poly (acrylic acid) (PAA) as polyanion for film deposition. The absorption spectra after each deposition showed that there was no material loss during layer depositions via second method. [ABSTRACT FROM AUTHOR]

Abstract: UV–vis absorption spectroscopy of uranium in LiCl–KCl eutectic salt at 773K was studied for the on-site use in pyrochemical process. Uranium(III) chloride was electrochemically prepared from uranium metal in LiCl–KCl eutectic salt at 773K by using chronopotentiometry. Three absorption peak positions were selected and calibrated for the quantitative analysis of uranium in the molten salt medium. The molar absorptivity and minimum detectable concentration for the selected wavelength were obtained with a confidence level of 99%. [Copyright &y& Elsevier]

Abstract: The molecular aggregation and spectroscopic properties of Pyronin Y (PyY) in the suspension containing natural bentonite clay were studied using molecular absorption, steady-state and time-resolved fluorescence spectroscopy techniques. Interaction between the clay particles and the cationic dye compounds in aqueous solution resulted in significant changes in spectral properties of PyY compared to its molecular behavior in deionized water at the same concentration. These changes were due to the formation of dimer and aggregate of PyY in the clay suspension as well as the presence of the dye monomer. The H-type aggregates of PyY in the clay suspension were identified by the observation of a blue-shifted absorption band of the dye compared to that of its monomer. In spite of diluted dye concentrations, the H-aggregate of PyY in the clay suspension was formed. The intensive aggregation in the clay suspension attributed to the localized high dye concentration on the negatively charged clay surfaces. Adsorption sites of PyY on the clay particles were discussed by deconvulated absorption and excitation spectra. Fluorescence spectroscopy studies revealed that the fluorescence intensity of PyY in the clay suspension is decreased by H-aggregates drastically. Moreover, the presence of H-aggregates in the clay suspension resulted in the decrease of fluorescence lifetime and quantum yield of PyY compared to those in deionized water. [Copyright &y& Elsevier]

Quantitation of the total protein content in a sample is a critical step in protein analysis. Molecular UV-Vis absorption spectroscopy is very efficient in quantitative analysis such as protein quantitation and has extensive applications in chemical and clinical laboratories worldwide. Among the various techniques for protein assay, biuret test is of particular interest in this study. This study sought to verify the sensitivity of biuret assay to protein samples with concentrations ranging from 0.0100 to 5.00 mg/mL. Albumin chicken egg was used as the protein sample. The assay was assessed to determine the range of concentration in which it will show linearity. The biuret test exhibited linearity in a wide range of concentrations (0.1000 ± 0.0004 to 5.00 ± 0.02 mg/mL). The starting protein concentration range established for the calibration curve of this assay is lower than the found literature value (1 mg/sample). The study provides a more workable range of biuret test. [ABSTRACT FROM AUTHOR]

Abstract: The interaction between eight naturally occurring flavanols (catechin, epicatechin, gallocatechin, epigallocatechin, catechin gallate, epicatechin gallate, gallocatechin gallate, and epigallocatechin gallate) and human serum albumin (HSA) has been investigated by spectroscopic (fluorescence quenching and UV–Vis absorption) and electrophoretic (native and SDS PAGE) techniques under simulated physiological conditions (pH 7.40, 37°C). The spectroscopic results confirmed the complex formation for the tested systems. The binding constants and the number of binding sites were obtained by analysis of fluorescence data. The strongest binding affinity to HSA was found for epicatechin gallate and decreased in the order epicatechin gallate⩾catechin gallate>epigallocatechin gallate>gallocatechin gallate≫epicatechin⩾catechin>gallocatechin⩾epigallocatechin. All free energy changes possessed negative sign indicating the spontaneity of catechin–HSA systems formation. The binding distances between the donor (HSA) and the acceptors (catechins) estimated by the Förster theory revealed that non-radiation energy transfer from HSA to catechins occurred with high possibility. According to results obtained by native PAGE, the galloylated catechins increased the electrophoretic mobility of HSA, which indicated the change in the molecular charge of HSA, whilst the non-galloylated catechins caused no changes. The ability of aggregation and cross-linking of tested catechins with HSA was not proved by SDS–PAGE. The relationship between the structure characteristics of all tested catechins (e.g. presence of the galloyl moiety on the C-ring, the number of hydroxyl groups on the B-ring, and the spatial arrangement of the substituents on the C-ring) and their binding properties to HSA is discussed. The presented study contributes to the current knowledge in the area of protein–ligand binding, particularly catechin–HSA interactions. [Copyright &y& Elsevier]