SERS-active substrates using DVD-R coated in silver thin films: A preliminary study for detection of commercial glyphosate.

Glyphosate (GLP) is the herbicide with the highest level of global commercialization and historical use. Even though numerous studies have found this substance to be harmless, current research demonstrates that GLP might affect human health. For this reason, researcher efforts are concentrating on alternatives for analytical quantification, such as Surface Enhanced Raman Spectroscopy (SERS). In this work, a DVD-R@AgNPs SERS substrate was produced by the Cathodic Cage Plasma Deposition (CCPD) technique, which allowed a thin film layer deposition of silver nanoparticles (AgNPs) on the PC grating structure from Digital Video/Versatile Disc Recordable (DVD-R). Scanning Electron Microscopy with energy-dispersive X-ray spectroscopy was used to characterize the substrate and chemical changes on the surface after AgNPs deposition. The DVD-R@AgNPs substrate was used to detect standard crystal violet (CV), GLP, and RoundupTM GLP (GLP-RU) using Raman Spectroscopy. The CV was used as a control sample for SERS measurement, allowing the calculation of the substrate enhancement factor, which was in the order of âˆ¼ 105. To evaluate the efficiency of the SERS substrate, the limit of detection was calculated and showed values of âˆ¼ 10-10 mol/L for CV, 10-7 and 10-8 mol/L for GLP, and 10-6 mol/L for GLP-RU. Thus, the DVD-R@AgNPs SERS sensor is a low-cost substrate that analyzes traces of pesticides such as commercial GLP, demonstrating high SERS sensitivities and many applications.

Chlorin e6-EGF conjugated gold nanoparticles as a nanomedicine based therapeutic agent for triple negative breast cancer.

To develop a treatment modality for triple-negative breast cancer, we investigated the efficacy of a bifunctional theranostic nanoprobes (BN) during Photodynamic Therapy (PDT) on human breast carcinoma and normal human cells. The BN is a 21 nm gold nanoparticles functionalized with Chlorin e6 (Ce6) and Epidermal Growth Factor (EGF). Attachment to gold nanoparticle stabilizes Ce6 while EGF acts as a cancer cell targeting agent. Fluorescence Spectroscopy and Confocal Fluorescence Microscopy revealed a gradual uptake of nanoprobes into cancer cells at an average rate of 63 BN/min. Cell viability assays showed that 0.2 µg/mL BN concentration was highly cytotoxic to cancer cells (86 %), but not normal cells. At this concentration, 58 % cancer cells were necrotic and 38 % apoptotic, while the reactive oxygen species (ROS) was 9-fold higher in cancer cells compared to normal. Overall, results suggest that BN mediated PDT can achieve targeted cancer cell death with high efficiency.

Using FT-IR spectroscopy for the identification of the T. cruzi, T. rangeli, and the L. chagasi species.

The cross-reaction in the diagnosis results is a serious problem, leading to an incorrect treatment and several injuries to patients. The Trypanosoma rangeli and Trypanosoma cruzi belong to the genus Trypanosoma, but the Trypanosoma rangeli is a non-pathogenic parasite to humans. While Trypanosoma cruzi is the etiological agent of Chagas' disease, which affects circa 2-3 million people and more than 6000 deaths annually in Brazil. The Leishmania chagasi causes infectious disease known as visceral leishmaniasis. This diseases have in common the crossed antigenic reaction promoted by serological tests and its differentiation is relevant for epidemiological studies and clinical practice. In this study the Fourier Transform Infrared (FT-IR) Spectroscopy was used to differentiate these microorganisms, which were cultivated and the spectra analyzed. Data analysis were performed by Gaussian curve fitting and multivariate statistical analysis. The cluster analysis have shown four specific regions to identify the microorganisms. The first three PCs of principal component analysis associated to linear discriminant were able to classify 95.6% of the parasites using cross-validation. The curve fitting method showed the quantitative differentiation among L. chagasi, T. cruzi, and T. rangeli species in the vibrational regions of polysaccharides, amide III, lipid esters, and fatty acid.

Nanoparticles of methylene blue enhance photodynamic therapy.

Breast cancer is the most commonly diagnosed cancer and the second leading cause of death related to cancer among women worldwide. Screening and advancements in treatment have improved survival rate of women suffering from this ailment. Novel therapeutic techniques may further reduce cancer related mortality. One of several emerging therapeutic options is Photodynamic Therapy (PDT) that uses light activated photosensitizer (PS) inducing cell death by apoptosis and/or necrosis. Nanotechnology has made contribution to improve photosensitizer for PDT, increasing the efficiency of therapy using gold and silver nanoparticles. Efforts have been done to develop better mechanism to improve PS and consequently PDT effects. In this study, we investigate the efficacy of the PDT using gold nanoparticles (AuNPs) and silver nanoparticles (AgNPs) when mixed to methylene blue (MB) in the treatment of the human breast adenocarcinoma cell line (MDA-MB-468). The MDA-MB-468 was treated in the presence of different MB concentrations with/without AuNPs or AgNPs. The colloidal solution of AgNPs showed a plasmon resonance band at 411 nm in UV-visible range and a bimodal size distribution. The results of viability analysis showed that cells treated with nanoparticles exhibited higher cytotoxicity than cells treated with only MB, improving the efficiency of the treatment in the tumor cells. The cytotoxicity effect of MB associated with AgNPs on MDA-MB-468 cell line could be related to increased reactive oxygen species production due to the release of Ag+ ions from nanoparticles surface, suggesting that the association between FS and AgNPs has potential as a PDT agent.

FTIR study of secondary structure changes in Epidermal Growth Factor by gold nanoparticle conjugation.

Conformation of protein is vital to its function, but may get affected when processing to manufacture products. It is therefore important to understand structural changes during each step of production. In this study, we investigate secondary structure changes in the targeting protein Epidermal Growth Factor (EGF) during synthesis of theranostic bifunctional nanoparticle, devised for Photodynamic therapy of breast cancer. We acquired FTIR spectra of EGF; unconjugated, post treatment with α-lipoic acid, attached to gold nanoparticle, and bound to the bifunctional nanoprobe. We observed decreasing disordered structures and turns, and increasing loops, as the synthesis process progressed. There was an overall increase in ß-sheets in final product compared to pure EGF, but this increase was not linear and fluctuated. Previous crystal structure studies on EGF-EGFR complex have shown loops and ß-sheets to be important in the binding interaction. Since our study found increase in these structures in the final product, no adverse effect on binding function of EGF was expected. This was confirmed by functional assays. Such studies may help modify synthesis procedures, and thus secondary structures of proteins, enabling increased functionality and optimum results.

Isokinetic muscle performance and salivary immune-endocrine responses in handball players by Fourier transform infrared spectroscopy / Rendimiento muscular isocinético y respuestas inmuno-endocrinas salivales en jugadores de balonmano por espectroscopía infrarroja con transformada de Fourier / Desempenho muscular isocinético e respostas salivares imuno-endócrinas em jogadores de handebol por espectroscopia no infravermelho com transformada de Fourier

Objective. Evaluate isokinetic muscle performance of the hamstring and quadriceps muscles in male handball players, as well as verify the effect of handball match on salivary cortisol and immunoglobulin A by Fourier transform infrared spectroscopy. Method. The isokinetic parameters evaluated were peak torque, fatigue index, and hamstring/quadriceps peak torque ratio. Saliva samples were collected before and after a simulated handball match, as well as after 2 h of recovery. Analysis of saliva by Fourier transform infrared spectroscopy was based on infrared region of the pure substances (cortisol and human salivary cortisol and immunoglobulin A). Results. No significant difference was found between the non-dominant and dominant lower limb at 60 and 180°/s, in extension and flexion for variables of peak torque and fatigue index. The hamstring/quadriceps ratio at 60°/s was lower than at 180°/s. The main absorption bands of cortisol are in the region (1180-955cm−1) and human salivary cortisol and immunoglobulin A bands in the region (1584-1489cm−1). The saliva samples collected before and after match showed no significant difference. The variation of cortisol per playing positions was positively correlated with session rate of perceived exertion. Conclusions. The handball players had good muscle performance of the lower limbs in the isokinetic evaluation. The Fourier transform infrared spectroscopy analysis identified the main absorption bands of cortisol and salivary cortisol and immunoglobulin A, as well as playing positions that demand higher stress levels, through changes of bands related to salivary cortisol (AU)

Objetivo. Evaluar el rendimiento muscular isocinético de los isquiotibiales y los cuádriceps en jugadores de balonmano masculino, así como examinar el efecto de un partido de balonmano en el cortisol salival y la inmunoglobulina A por espectroscopia infrarroja con transformada de Fourier. Método. Los parámetros isocinéticos evaluados fueron el torque máximo, el índice de fatiga y la razón de torque máximo isquiotibial/cuádriceps. Las muestras de saliva se recogieron antes y después de un partido de balonmano simulado y tras 2h de recuperación. El análisis de la saliva por espectroscopia infrarroja con transformada de Fourier se basó en las regiones de infrarrojos de sustancias puras (cortisol, cortisol salival y la inmunoglobulina A humana). Resultados. No hubo diferencias significativas entre los miembros inferiores dominante y no dominante a 60 y 180°/s, en extensión y flexión para torque máximo e índice de fatiga. La razón isquiotibial/cuádriceps a 60°/s fue inferior que a 180°/s. Las principales bandas de absorción de cortisol se encuentran en la región (1180-955cm−1) y cortisol salival e inmunoglobulina A en la región (1584-1489cm−1). Las muestras de saliva recogidas antes y después del partido no muestran diferencias significativas. La variación de cortisol por la posición de juego se correlacionó positivamente con la tasa de esfuerzo percibido en la sesión. Conclusiones. Los jugadores de balonmano mostraron buen rendimiento muscular de los miembros inferiores en la evaluación isocinética. El análisis por espectroscopia infrarroja con transformada de Fourier identificó las principales bandas de cortisol y cortisol salival e inmunoglobulina A, así como las posiciones de juego que requieren mayores niveles de estrés, por medio de los cambios en las bandas relacionadas con el cortisol salival (AU)

Objetivo. Avaliar o desempenho muscular isocinético dos flexores e extensores do joelho em jogadores de handebol do sexo masculino, bem como verificar o efeito da partida de handebol sobre o cortisol salivar e imunoglobulina A por espectroscopia no infravermelho. Método. Os seguintes parâmetros foram avaliados com dinamômetro isocinético: o torque máximo, índice de fadiga e razão agonista/antagonista. Amostras de saliva foram coletadas antes e depois de uma partida de handebol simulada, bem como depois de 2 horas de recuperação. Análise de saliva por espectroscopia no infravermelho foi baseada na região do infravermelho das substâncias puras (cortisol e imunoglobulina A humano). Resultados. Não foi encontrada diferença significativa entre dos membros inferiores não-dominante e dominante em 60 e 180°/s, em extensão e flexão para variáveis do torque máximo e índice de fadiga. A relação flexores/extensores do joelho a 60°/s foi inferior a 180°/s. As principais bandas de absorção do cortisol estão na região (1180-955 cm-1) e bandas de imunoglobulina A humana na região (1584-1489cm-1). As amostras de saliva coletadas antes e depois do jogo não apresentaram diferenças significativas. A variação do cortisol por posições de jogo foi positivamente correlacionada com a taxa de percepção subjetiva de esforço da sessão. Conclusões. Os jogadores de handebol tiveram bom desempenho muscular dos membros inferiores na avaliação isocinética. A análise espectroscopia no infravermelho identificou as principais bandas de absorção de cortisol e imunoglobulina A, bem como as posições de jogo que exigem níveis mais elevados de estresse, através de mudanças de bandas relacionadas com cortisol salivar (AU)

Salivary Cortisol Responses and Session Ratings of Perceived Exertion to a Rugby Match and Fatigue Test.

This study compared the effects of an official rugby match and a fatigue test on the salivary cortisol responses of 13 rugby players. We also examined the relationship between this cortisol response and session ratings of perceived exertion (session-RPE). We collected saliva before and after the match and fatigue test and assessed physical effort intensity via session-RPE using a CR-10 scale. We measured cortisol concentration by enzyme-linked immunosorbent assays. Results were greater session-RPE and cortisol concentrations for the rugby match, compared with the fatigue test. There was a significant difference between cortisol concentrations obtained pre- and postmatch ( p < .022) and significant correlations between cortisol response and session-RPE sampling in both the rugby match ( r = .81; p < .001) and fatigue test ( r = .91; p < .001). This study provides evidence of greater perceived effort and higher cortisol concentrations in actual competition versus a fatigue test. Our data further support session-RPE as a relatively inexpensive close correlate of a stress biomarker (cortisol response). Thus, session-RPE can be used by coaches as a valid indication of training loads and adequate recovery time after exertion.

Synthesis and characterization of gold nanostructured Chorin e6 for Photodynamic Therapy.

Photodynamic therapy is an alternative treatment for cancer based on cellular uptake of a photosensitizer, illuminated with an appropriate wavelength in the presence of oxygen. A cascade of reactions generates reactive oxygen species leading to cell death. Using carbodiimide chemistry, chlorin e6 (Ce6) was covalently bonded to thiourea, and (via the sulphur end group) to gold nanoparticles (AuNPs), forming the Ce6-AuNP complex. Ce6 absorbs in the range 650-680nm, where the coefficient of biological tissue absorption is low (part of the therapeutic window), which is ideal for biological application. Transmission Electron Microscopy, UV-vis spectroscopy, Fourier transform Infrared Spectroscopy and Zeta potential measurements were completed to characterize the Ce6-AuNP complex. The bare AuNPs have an average diameter of 18±4nm. A line of human breast carcinoma cells (MDA-MB-468) was used to determine whether Ce6 functionalization to AuNPs potentiate its activity. Trypan blue assays were used to assess cell viability. In the absence of light, Ce6 either alone or bounded to AuNPs was not cytotoxic. When irradiated at 660nm, the cytotoxicity of Ce6-AuNP was higher than Ce6 alone for MDA-MB-468 cells using 4h incubation. AuNPs without Ce6 showed no cytotoxic.

S6 Kinase Reflects and Regulates Ethanol-Induced Sedation.

Alcohol use disorders (AUDs) affect people at great individual and societal cost. Individuals at risk for AUDs are sensitive to alcohol's rewarding effects and/or resistant to its aversive and sedating effects. The molecular basis for these traits is poorly understood. Here, we show that p70 S6 kinase (S6k), acting downstream of the insulin receptor (InR) and the small GTPase Arf6, is a key mediator of ethanol-induced sedation in Drosophila. S6k signaling in the adult nervous system determines flies' sensitivity to sedation. Furthermore, S6k activity, measured via levels of phosphorylation (P-S6k), is a molecular marker for sedation and overall neuronal activity: P-S6k levels are decreased when neurons are silenced, as well as after acute ethanol sedation. Conversely, P-S6k levels rebound upon recovery from sedation and are increased when neuronal activity is enhanced. Reducing neural activity increases sensitivity to ethanol-induced sedation, whereas neuronal activation decreases ethanol sensitivity. These data suggest that ethanol has acute silencing effects on adult neuronal activity, which suppresses InR/Arf6/S6k signaling and results in behavioral sedation. In addition, we show that activity of InR/Arf6/S6k signaling determines flies' behavioral sensitivity to ethanol-induced sedation, highlighting this pathway in acute responses to ethanol. SIGNIFICANCE STATEMENT: Genetic factors play a major role in the development of addiction. Identifying these genes and understanding their molecular mechanisms is a necessary first step in the development of targeted therapeutic intervention. Here, we show that signaling from the insulin receptor in Drosophila neurons determines flies' sensitivity to ethanol-induced sedation. We show that this signaling cascade includes the small GTPase Arf6 and S6 kinase (S6k). In addition, activity of S6k is regulated by acute ethanol exposure and by neuronal activity. S6k activity is therefore both an acute target of ethanol exposure and a regulator of ethanol's effects on behavior.

Apoptosis-associated genes related to photodynamic therapy in breast carcinomas.

The aim of this study was to find the apoptosis molecular markers involved in the cell death that might be related to photodynamic therapy (PDT) mechanisms in breast cancer. The mammary tumors were induced in 25 Sprague-Dawley female rats by a single, oral gavage of 7,12-dimethylbenz(a)anthracene (DMBA; 70 mg/kg body weight). Animals were divided into four groups: G1 (normal, without DMBA), G2 (control, without PDT treatment), G3 (euthanized 48 h after PDT), and G4 (euthanized 24 h after PDT). For PDT experiments, the photosensitizer used was Photodithazine, and 100 J/cm of light at a fluence rate of 100 mW/cm was delivered to treat lesions. A sample of each animal was investigated by quantitative real-time PCR using Rat Apoptosis RT2 Profiler™ PCR Array platform. The results showed 20 genes with differential expression between PDT and control groups. A significant upregulation was observed for pro-apoptotic genes CASP4, CASP12, CIDEA, GADD45A, and FAS and downregulation of anti-apoptotic genes MAPK8IP1, TNFRSF11B, and NAIP2 in PDT-treated tumors. These results indicate that these genes are more directly involved in cell apoptosis induced by PDT.

Long-lasting, experience-dependent alcohol preference in Drosophila.

To understand the molecular and neural mechanisms underlying alcohol addiction, many models ranging from vertebrates to invertebrates have been developed. In Drosophila melanogaster, behavioral paradigms from assaying acute responses to alcohol and to behaviors more closely modeling addiction have emerged in recent years. However, both the CAFÉ assay, similar to a two-bottle choice consumption assay, as well as conditioned odor preference, where ethanol is used as the reinforcer, are labor intensive and have low throughput. To address this limitation, we have established a novel ethanol consumption preference assay, called FRAPPÉ, which allows for fast, high throughput measurement of consumption in individual flies, using a fluorescence plate reader. We show that naïve flies do not prefer to consume ethanol, but various pre-exposures, such as ethanol vapor or voluntary ethanol consumption, induce ethanol preference. This ethanol-primed preference is long lasting and is not driven by calories contained in ethanol during the consumption choice. Our novel experience-dependent model of ethanol preference in Drosophila-a highly genetically tractable organism-therefore recapitulates salient features of human alcohol abuse and will facilitate the molecular understanding of the development of alcohol preference.

Surface enhanced Raman scattering, electronic spectrum, natural bond orbital, and Mulliken charge distribution in the normal modes of diethyldithiocarbamate copper (II) complex, [Cu(DDTC)2].

Surface-enhanced Raman scattering (SERS) was used to study the interactions of the normal modes of the diethyldithiocarbamate copper (II) complex, [Cu(DDTC)2] on nano-structured mixture silver-gold surfaces and on silver surfaces. The electronic spectrum of this complex was measured and the charge transfer bands were assigned through the TD-PBE1PBE procedure. Natural bond orbital (NBO) were also carried out to study the Cu(II) hybridation leading to the square planar geometry of the framework of the [Cu(DDTC)2] complex, and to study which are the donor NBO and the acceptor NBO in meaningful charge transfer through the Second Order Perturbation Theory Analysis of the Fox Matrix in NBO basis. To see the electronic dispersion, the Mulliken electronic charges (MAC) were calculated for each normal mode and correlated with the SERS effect. Full assignment of the SERS spectra was also supported by carefully analysis of the distorted geometries generated by the normal modes.

Surface enhancement Raman scattering of tautomeric thiobarbituric acid. Natural bond orbitals and B3LYP/6-311+G (d, p) assignments of the Fourier Infrared and Fourier Raman Spectra.

Surface enhancement Raman scattering (SERS) of two tautomer of thiobarbituric acid was obtained using silver and gold nanoparticles. Large band enhancement in the region of the ν(C=S), ν(C=C), δ(CH2), and δ(CNH) vibrational modes was found. Natural bond analysis of the tautomer species revealed expressive values of charge transfer, principally from lone pair electron orbitals of the S, N, and O atoms. Complete vibrational assignment was done for the two tautomers using the B3LYP/6-311+G (d, p) procedure, band deconvolution analysis, and from a rigorous interpretation of the normal modes matrix. The calculated spectra agree well with the experimental ones.

Surface enhanced Raman scattering, electronic spectrum and Mulliken charge distribution in the normal modes of bis(diethyldithiocarbamate)zinc(II) complex.

Surface-enhanced Raman scattering (SERS) was used to study the interactions of the normal modes of the bis(diethyldithiocarbamate)zinc(II) complex, [Zn(DDTC)2], on nano-structured silver surfaces. The electronic spectrum of this complex was measured and the charge transfer bands were assigned through the TD-PBE1PBE procedure. To see the electronic dispersion, the Mulliken electronic charges were calculated for each normal mode and correlated with the SERS effect. Full assignment of the SERS spectra was also supported by carefully analysis of the distorted geometries generated by the normal modes.

Phenylalanine ab initio models for the simulation of skin natural moisturizing factor.

In this study, we evaluated models that can be used to simulate amino acids in biological environments via density functional theory (DFT). The goal was to obtain realistic representations that combine computational economy and result quality when compared to experimental data. We increased the complexity of the models by using a model of an amino acid in a vacuum, followed by a water-solvated amino acid model. To consider pH variation, we simulated zwitterionic and nonionic amino acid configurations. The amino acid chosen for testing was phenylalanine, an aromatic amino acid present in high concentrations in the natural moisturizing factor of skin that plays a fundamental role in ultraviolet protection and vitiligo disease. To validate the models, vibrational modes and electronic properties were calculated and compared to experimental results.

DFT: B3LYP/6-311G (d, p) vibrational analysis of bis-(diethyldithiocarbamate)zinc(II) and natural bond orbitals.

Theoretical and experimental bands have been assigned for the Fourier Transform Infrared (FT-IR) and Fourier Transform Raman (FT-Raman) spectra of the bis-(diethydithiocarbamate)Zn(II) complex, [Zn(DDTC)(2)]. The calculations and spectra interpretation have been based on the DFT/B3LYP method, infrared and Raman second derivative spectra as well as band deconvolution analysis. To assign the metal-ligand normal modes the deviation percentage of the geometrical parameters was used. Results confirms a pseudo tetrahedral structure around the Zn(II) cation. The calculated infrared and Raman spectra has an excellent agreement with the experimental spectra. The Natural Bond Orbital analysis (NBO) was carried out as a way to study the Zn(II) hybridization leading to the pseudo tetrahedral geometry of the framework of the [Zn(DDTC)(2)] complex, and to study also which are the donor NBO and the acceptor NBO in meaningful charge transfer through the Second Order Perturbation Theory Analysis of Fox Matrix in NBO basis.

Fourier Transform Infrared and Raman spectra, DFT: B3LYP/6-311G(d, p) calculations and structural properties of bis(diethyldithiocarbamate)copper(II).

Theoretical and experimental bands have been assigned for the Fourier Transform Infrared (FT-IR) and FT-Raman spectra of the bis(diethydithiocarbamate)Cu(II) complex, [Cu(DDTC)(2)]. The calculations and spectra interpretation have been based on the DFT/B3LYP method, infrared and Raman second derivative spectra, and band deconvolution analysis. To better assign the metal-ligand normal modes in the spectral region of low energy, the deviation percentage of the geometrical parameters was used, with values from the interpretation of the normal modes of L matrix. Results indicate a planar structure around the Cu(II) cation. The calculated infrared and Raman spectra, based on the proposed geometrical structure of the bis(diethyldithiocarbamate)copper(II) complex, agreed with the experimental spectra.

Adult neuronal Arf6 controls ethanol-induced behavior with Arfaptin downstream of Rac1 and RhoGAP18B.

Alcohol use disorders affect millions of individuals. However, the genes and signaling pathways involved in behavioral ethanol responses and addiction are poorly understood. Here we identify a conserved biochemical pathway that underlies the sedating effects of ethanol in Drosophila. Mutations in the Arf6 small GTPase signaling pathway cause hypersensitivity to ethanol-induced sedation. We show that Arf6 functions in the adult nervous system to control ethanol-induced behavior. We also find that the Drosophila Arfaptin protein directly binds to the activated forms of Arf6 and Rac1 GTPases, and mutants in Arfaptin also display ethanol sensitivity. Arf6 acts downstream of Rac1 and Arfaptin to regulate ethanol-induced behaviors, and we thus demonstrate that this conserved Rac1/Arfaptin/Arf6 pathway is a major mediator of ethanol-induced behavioral responses.

Molecular structure, natural bond analysis, vibrational, and electronic spectra of aspartateguanidoacetatenickel(II), [Ni(Asp)(GAA)]·H2O: DFT quantum mechanical calculations.

The aspartateguanidoacetatenickel (II) complex, [Ni(Asp)(GAA)], was synthesized and structural analysis was performed by means of the experimental methods: determination of the C, H, N and O contents, thermogravimetry, infrared and Raman spectroscopy. DFT:B3LYP/6-311G(d, p) calculations have been performed giving optimized structure and harmonic vibrational wavenumbers. Second derivative of the FT-infrared, FT-Raman and Surface Raman Enhanced Scattering (SERS) spectra, and band deconvolution analysis were also performed. Features of the FT-infrared, FT-Raman and SERS confirmed theoretical structure prediction. Full assignment of the vibrational spectrum was also supported by a carefully analysis of the distorted geometries generated by the normal modes. The Natural Bond Orbital analysis (NBO) was also carried out as a way to study the Ni (II) hybridization leading to the pseudo planar geometry of the framework, and the extension of the atomic N and O hybrid orbital of the different amino acids in the bond formation. Bands of charge transfer and d-d transitions were assigned in the UV-Vis spectrum.

Paving the axonal highway: from stem cells to myelin repair.

Multiple sclerosis (MS), a demyelinating disorder of the central nervous system (CNS), remains among the most prominent and devastating diseases in contemporary neurology. Despite remarkable advances in anti-inflammatory therapies, the inefficiency or failure of myelin-forming oligodendrocytes to remyelinate axons and preserve axonal integrity remains a major impediment for the repair of MS lesions. To this end, the enhancement of remyelination through endogenous and exogenous repair mechanisms and the prevention of axonal degeneration are critical objectives for myelin repair therapies. Thus, recent advances in uncovering myelinating cell sources and the intrinsic and extrinsic factors that govern neural progenitor differentiation and myelination may pave a way to novel strategies for myelin regeneration. The scope of this review is to discuss the potential sources of stem/progenitor cells for CNS remyelination and the molecular mechanisms underlying oligodendrocyte myelination.