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1.
Front Immunol ; 14: 1264502, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37818370

RESUMO

The outbreak of a fatal black fungus infection after the resurgence of the cadaverous COVID-19 has exhorted scientists worldwide to develop a nutshell by repurposing or designing new formulations to address the crisis. Patients expressing COVID-19 are more susceptible to Mucormycosis (MCR) and thus fall easy prey to decease accounting for this global threat. Their mortality rates range around 32-70% depending on the organs affected and grow even higher despite the treatment. The many contemporary recommendations strongly advise using liposomal amphotericin B and surgery as first-line therapy whenever practicable. MCR is a dangerous infection that requires an antifungal drug administration on appropriate prescription, typically one of the following: Amphotericin B, Posaconazole, or Isavuconazole since the fungi that cause MCR are resistant to other medications like fluconazole, voriconazole, and echinocandins. Amphotericin B and Posaconazole are administered through veins (intravenously), and isavuconazole by mouth (orally). From last several years so many compounds are developed against invasive fungal disease but only few of them are able to induce effective treatment against the micorals. Adjuvant medicines, more particularly, are difficult to assess without prospective randomized controlled investigations, which are challenging to conduct given the lower incidence and higher mortality from Mucormycosis. The present analysis provides insight into pathogenesis, epidemiology, clinical manifestations, underlying fungal virulence, and growth mechanisms. In addition, current therapy for MCR in Post Covid-19 individuals includes conventional and novel nano-based advanced management systems for procuring against deadly fungal infection. The study urges involving nanomedicine to prevent fungal growth at the commencement of infection, delay the progression, and mitigate fatality risk.


Assuntos
COVID-19 , Mucormicose , Micoses , Humanos , Anfotericina B/farmacologia , Anfotericina B/uso terapêutico , Mucormicose/tratamento farmacológico , Virulência , Micoses/tratamento farmacológico
2.
Appl Phys A Mater Sci Process ; 129(2): 154, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36741277

RESUMO

A major problem in world health care is the development of antibiotic resistance in bacteria. In light of this, pure and calcium-doped zinc tin oxide (ZTO) nanoparticles, Zn2SnO4 (S1), Zn2Sn0.7Ca0.3O4 (S2), Zn2Sn0.5Ca0.5O4 (S3), and Zn2Sn0.3Ca0.7O4 (S4), were synthesized via simple and cost effective microwave assisted method. The doping effect on antibacterial activity was studied in detail. The XRD spectrum revealed that all the deposited samples exhibited a spinel cubic structure. A decrease in crystallite size, an increase in strain and dislocation density was observed with an increase in Ca concentration. FESEM images exhibited an irregular and non-homogeneous nature with crystalline morphology having a physical dimension of nm size. EDAX confirmed the purity of deposited samples. We used the agar well diffusion technique to study the antibacterial activity of Gram-positive and Gram-negative bacteria. The doping of the ZTO matrix with Ca ions increased its antibacterial performance by 99% against Klebsiella pneumoniae bacteria, and its effectiveness was enhanced with increasing Ca ion concentration inside the Zn2SnO4 nanoparticles.

3.
Chem Biodivers ; 19(9): e202200116, 2022 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-35983935

RESUMO

A set of new heterocyclic analogs (Compounds I-IX), comprising of 6,7 dimethyl Quinoxalines were found to be active against the receptor GSK3ß (Compounds IV-V) (Chem. Biodiversity 2021, 18, e2100364). In an effort to modulate effective CDK5 inhibitors herein our hypothesis underpinned to fish out an appropriate derivative from the same quinoxaline series, as these two targets GSK3ß and CDK5 shared structural resemblance with each other. Aligned to the goal we have synthesized Compounds I-IX, characterized them using a combination of spectroscopic techniques and evaluated their activities against CDK5. Our analysis reflected that the adjacently located alkoxy/hydroxy functionality derivatives namely Compounds III and VI, to be the most potent (micromolar) amongst others in the series, backed by Density Functional Theory (DFT) calculations and molecular modelling studies. Also, the efficacy of the Compounds I-IX, were monitored in few other members of the CMGC family namely DYRK1A, CLK1and CK1δ that have been known to be directly involved in hyperphosphorylation of Tau. But unfortunately in none of the targets, our quinoxaline series were active. In a nut shell further optimisation of these intelligent nucleus, would not only lead to the discovery of novel pharmacophores, but also marked selectivity against a pool of kinases, thereby implementing a distinct roadmap towards the design of potential therapeutics against Alzheimer's.


Assuntos
Doença de Alzheimer , Animais , Doença de Alzheimer/tratamento farmacológico , Glicogênio Sintase Quinase 3 beta , Quinoxalinas/farmacologia
4.
Interdiscip Sci ; 14(1): 113-129, 2022 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-34338956

RESUMO

Breast cancer is a commonly occurring disease in women all over the world. Mammogram is an efficient technique used for screening and identification of abnormalities over the breast region. Earlier identification of breast cancer enhances the prognosis of patients and is mainly based on the experience of the radiologist in interpretation of mammogram with quality of image. The advent of Deep Learning (DL) and Computer Vision techniques is widely used to perform breast cancer diagnosis. This paper presents a new Optimal Multi-Level Thresholding-based Segmentation with DL enabled Capsule Network (OMLTS-DLCN) breast cancer diagnosis model utilizing digital mammograms. The OMLTS-DLCN model involves an Adaptive Fuzzy based median filtering (AFF) technique as a pre-processing step to eradicate the noise that exists in the mammogram images. Besides, Optimal Kapur's based Multilevel Thresholding with Shell Game Optimization (SGO) algorithm (OKMT-SGO) is applied for breast cancer segmentation. In addition, the proposed model involves a CapsNet based feature extractor and Back-Propagation Neural Network (BPNN) classification model is employed to detect the existence of breast cancer. The diagnostic outcomes of the presented OMLTS-DLCN technique is examined by means of benchmark Mini-MIAS dataset and DDSM dataset. The experimental values obtained highlights the superior performance of the OMLTS-DLCN model with a higher accuracy of 98.50 and 97.55% on the Mini-MIAS dataset and DDSM dataset, respectively.


Assuntos
Neoplasias da Mama , Aprendizado Profundo , Algoritmos , Mama/diagnóstico por imagem , Neoplasias da Mama/diagnóstico por imagem , Feminino , Humanos , Mamografia/métodos , Redes Neurais de Computação
5.
Nanomaterials (Basel) ; 13(1)2022 Dec 30.
Artigo em Inglês | MEDLINE | ID: mdl-36616076

RESUMO

To study their physicochemical and antimicrobial properties, zinc oxide nanoparticles were synthesized using a simple chemical route and 4-dimethylaminobenzaldehyde (4DB) as an organic additive. ZnO nanoparticles were characterized with XRD analysis, which confirmed the presence of a hexagonal wurtzite structure with different crystalline sizes. The SEM morphology of the synthesized nanoparticles confirmed the presence of nanorods in both modifications of ZnO nanoparticles. EDS analysis proved the chemical composition of the synthesized samples via different chemical approaches. In addition, the optical absorption results indicated that the use of 4DB increased the band gap energy of the synthesized nanoparticles. The synthesized Zn8O8 and Zn8O8:4DB clusters were subjected to HOMO-LUMO analysis, and their ionization energy (I), electron affinity (A), global hardness (η), chemical potential (σ), global electrophilicity index (ω), dipole moment (µ), polarizability (αtot), first-order hyperpolarizability (ßtot), and other thermodynamic properties were determined. Furthermore, the antimicrobial properties of the ZnO nanoparticles were studied against G+ (S. aureus and B. subtilis) and G- (K. pneumoniae and E. coli) bacteria in a nutrient agar according to guidelines of the Clinical and Laboratory Standards Institute (CLSI).

6.
Chem Biodivers ; 18(11): e2100364, 2021 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-34486216

RESUMO

Untangling the most selective kinase inhibitors via pharmacological intervention remains one of the challenging affairs to date. In accordance to this drift, herein we describe the design and synthesis of a set of new heterocyclic analogs consisting of 6,7-dimethyl Quinoxaline, appended to a connector, employing Schiff base strategy (Compounds I-IX). The compounds were characterized by various spectroscopic techniques and the kinase inhibition assay were performed on few prime members of the CMGC family namely the GSK3ß, DYRK1A and CLK1 receptors, respectively, that have been known to be directly involved in hyperphosphorylation of Tau. Interestingly the biological evaluation results revealed that Compounds IV and V, with bromo/chloro functionalities in the aromatic core were advantaged of being highly selective towards the target GSK3ß over others. To strengthen our analysis, we adopted molecular modelling studies, where compounds IV/V were redocked in the same grid 4AFJ, as that of the reference ligand, 5-aryl-4-carboxamide-1,3-oxazole. Surprisingly, our investigation underpinned that for both the compounds IV/V, a primary H-bonding existed between the designed molecules (IV/V) and Val 135 residue in the receptor GSK3ß, in line with the reference ligand. We attribute this interaction to instigate potency in the compounds. Indeed the other non-covalent interaction, between the derivative's aromatic nucleus and Arg 141/Thr 138 in the receptor GSK3ß, might have been responsible for enhancing the selectivity in the targets. Overall, we feel that the present work depicts a logical demonstration towards fine tuning the efficacy of the inhibitors through systematic adjustment of electron density at appropriate positions in the aromatic ring be it the main quinoxaline or the other aromatic nucleus. Thus this pathway offers a convenient strategy for the development of efficient therapeutics for diversified neurodegenerative diseases like that of Alzheimer's.


Assuntos
Doença de Alzheimer/tratamento farmacológico , Glicogênio Sintase Quinase 3 beta/antagonistas & inibidores , Fármacos Neuroprotetores/farmacologia , Inibidores de Proteínas Quinases/farmacologia , Proteínas Serina-Treonina Quinases/antagonistas & inibidores , Proteínas Tirosina Quinases/antagonistas & inibidores , Quinoxalinas/farmacologia , Doença de Alzheimer/metabolismo , Desenvolvimento de Medicamentos , Glicogênio Sintase Quinase 3 beta/metabolismo , Humanos , Modelos Moleculares , Estrutura Molecular , Fármacos Neuroprotetores/síntese química , Fármacos Neuroprotetores/química , Inibidores de Proteínas Quinases/síntese química , Inibidores de Proteínas Quinases/química , Proteínas Serina-Treonina Quinases/metabolismo , Proteínas Tirosina Quinases/metabolismo , Quinoxalinas/síntese química , Quinoxalinas/química , Quinases Dyrk
7.
Environ Res ; 197: 111140, 2021 06.
Artigo em Inglês | MEDLINE | ID: mdl-33864794

RESUMO

Green technology for the synthesis of nanoparticles has gained momentum due to its cost-effectiveness and eco-friendly nature. In this research study, silver nanoparticles (AgNps) were synthesized using an eco-friendly biological method involving the use of marine algae, Halimeda gracilis. The surface properties of the synthesized silver nanoparticles were studied using UV-visible spectroscopy, Fourier transform infrared spectroscopy and scanning electron microscopy methods. During the synthesis of nano particles, the parameters namely temperature (30 °C to 90 °C), pH (6-10), silver nitrate (AgNO3) concentration (1-3 mg/ml) and quantity of algal extract (1-3 ml) were optimized to improve the production of AgNPs. The application of the synthesized silver nanoparticles for the adsorptive removal of copper from aqueous and industrial wastewater was investigated. Intra-particle diffusion mechanism was identified to be controlling step in metal removal. Regeneration of sorbent was carried out using 2.0 M HCl and the reusability was verified for 6 cycles. A removal efficiency of copper (64.8%) from electroplating wastewater demonstrated the industrial application potential of the synthesized silver nanoparticles.


Assuntos
Cobre , Nanopartículas Metálicas , Antibacterianos , Extratos Vegetais , Prata , Espectroscopia de Infravermelho com Transformada de Fourier
8.
J Hazard Mater ; 416: 125717, 2021 08 15.
Artigo em Inglês | MEDLINE | ID: mdl-33819646

RESUMO

In this research, silver nano particle (AgNP), was synthesized through a novel anaerobic mixed consortium mediation method and applied for the removal of phenol. The best operating conditions for the fabrication of silver nanoparticles were identified through response surface methodology (RSM) and the maximum yield was found to be 2.65 g/100 ml of anaerobic mixed consortium at optimal conditions of pH-8.6, temperature-90 °C, silver nitrate concentration-3 mg/ml and inoculum volume-3 ml. The synthesized nano particle exhibited a maximum phenol removal of 87.65% was achieved at pH:5.8. The synthesized silver nanoparticles were characterized by superior surface area (19.26 m2/g) and the stability was confirmed by thermo gravimetric analysis (upto 500 °C). The surface morphology was well explained using High Resolution Transmission Emission Microscopy (HR-TEM) and Scanning Electron Microscope with EDS (SEM-EDS) techniques. X-ray Diffraction (XRD) analysis confirmed the changes in crystalline structure due to the adsorption of phenol. Kinetic experiments fitted well with the intra-particle diffusion model. The nature of adsorption of phenol was confirmed as monolayer by the goodness of fit with Langmuir isotherm (R2 > 0.9969).


Assuntos
Nanopartículas Metálicas , Fenol , Adsorção , Anaerobiose , Prata , Espectroscopia de Infravermelho com Transformada de Fourier
9.
Appl Biochem Biotechnol ; 192(3): 751-769, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32557232

RESUMO

A facile chemical reduction approach is adopted for the synthesis of iron tungstate (FeWO4)/ceria (CeO2)-decorated reduced graphene oxide (rGO) nanocomposite. Surface morphological studies of rGO/FeWO4/CeO2 composite reveal the formation of hierarchical FeWO4 flower-like microstructures on rGO sheets, in which the CeO2 nanoparticles are decorated over the FeWO4 microstructures. The distinct anodic peaks observed for the cyclic voltammograms of studied electrodes under light/dark regimes validate the electroactive proteins present in the microalgae. With the cumulative endeavors of three-dimensional FeWO4 microstructures, phase effect between rGO sheet and FeWO4/CeO2, highly exposed surface area, and light harvesting property of CeO2 nanoparticles, the relevant rGO/FeWO4/CeO2 nanocomposite demonstrates high power and stable biophotovoltaic energy generation compared with those of previous reports. Thus, these findings construct a distinct horizon to tailor a ternary nanocomposite with high electrochemical activity for the construction of cost-efficient and environmentally benign fuel cells.


Assuntos
Fontes de Energia Bioelétrica , Cério/química , Grafite/química , Microalgas/metabolismo , Eletroquímica , Eletrodos , Conformação Molecular , Nanocompostos/química , Nanopartículas/química
10.
J Nanosci Nanotechnol ; 17(1): 558-63, 2017 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-29630144

RESUMO

A simple, environmental friendly and biologically important sediment interfaced fuel cell was developed for the green energy generation. The soil sediment used for the study is enriched of rich anthropogenic free organic carbon, sufficient manganese and high level potassium contents as evidenced from the geochemical characterizations. The saccharides produced by the catalytic reaction of substrate chitosan were utilized for the growth of microorganisms and electron shuttling processes. Chitosan substrate influenced sediment microbial fuel cells exhibited the nearly two fold power increment over the substrate free fuel cells. The fuel cell efficiencies were further increased by bringing the substrate chitosan at nanometric level, which is nearly three and two fold higher than that of substrate free and chitosan influenced sediment microbial fuel cells, respectively, and the influential parameters involved in the power and longevity issues were addressed with different perspectives.

11.
J Nanosci Nanotechnol ; 16(3): 2527-33, 2016 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-27455665

RESUMO

A simple, hasty and eco-friendly approach for the synthesis of iron nanoparticles has been developed using the medicinally important Azadirachta indica extract, which act as both reducing and stabilizing agent. The formation and morphological properties of iron nanoparticles as a function of metallic precursor and Azadirachta indica extract concentration have been investigated. The influence of solvent over the size and texture of iron nanoparticles has also been evaluated in detail. The thermal behavior of prepared nanoparticles was identified from thermogravimetric analysis. Furthermore, the catalytic activity of prepared iron nanoparticles toward the reduction of p-nitrophenol was analyzed and the reduction process was occurred within 30 sec. The cost and time efficient biosynthesis process and excellent catalytic activity of the prepared iron nanoparticles construct this protocol attractive.


Assuntos
Azadirachta/química , Ferro/química , Nanopartículas Metálicas , Nitrofenóis/química , Extratos Vegetais/química , Catálise , Técnicas Eletroquímicas , Microscopia Eletrônica de Varredura , Oxirredução , Difração de Pó , Termogravimetria
12.
Ecotoxicol Environ Saf ; 121: 211-7, 2015 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-25866204

RESUMO

In this work, silver nanoparticles have been synthesized by wet chemical technique, green synthesis and microbial methods. Silver nitrate (10(-3)M) was used with aqueous extract to produce silver nanoparticles. From the results it was observed that the yield of nanoparticles was high in green synthesis. The size of the silver nanoparticles was determined from Scanning Electron Microscope analysis (SEM). Fourier Transform Infrared spectroscopy (FTIR) was carried out to determine the presence of biomolecules in them. Its cytotoxic effect was studied in cancerous cell line and normal cell line. MTT assay was done to test its optimal concentration and efficacy which gives valuable information for the use of silver nanoparticles for future cancer therapy.


Assuntos
Nanopartículas Metálicas/química , Nanotecnologia/métodos , Prata/química , Apoptose/efeitos dos fármacos , Sobrevivência Celular/efeitos dos fármacos , Relação Dose-Resposta a Droga , Alho/química , Células Hep G2 , Humanos , Microscopia Eletrônica de Varredura , Tamanho da Partícula , Extratos Vegetais/farmacologia , Folhas de Planta/química , Prata/metabolismo , Prata/farmacologia , Nitrato de Prata/química , Espectrofotometria Ultravioleta , Espectroscopia de Infravermelho com Transformada de Fourier , Propriedades de Superfície
13.
Ecotoxicol Environ Saf ; 121: 199-210, 2015 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-25866206

RESUMO

The aptitude of marine green algae Helimeda gracilis for sorption of Cu(II) ions from an aqueous solution was studied in batch experiments. The effect of relevant parameters such as function of pH, sorbent dosage, agitation speed and contact time was evaluated by using Response surface methodology (RSM). A maximum percentage removal of Cu (II) by Halimeda gracilis occurs at pH-4.49, sorbent dosage-1.98g/L, agitation speed-119.43rpm and contact time-60.21min. Further, the sorbent was characterized by using Fourier Transform Infrared Spectroscopy (FTIR) and Scanning electron microscope (SEM) analysis. Experimental data were analyzed in terms of pseudo-first order, pseudo-second order, intraparticle diffusion, power function and elovich kinetic models. The results showed that the sorption process of Cu(II) ions followed well pseudo-second order kinetics. The sorption data of Cu(II) ions at 308.15K are fitted to Langmuir, Freundlich, Dubinin-Radushkevich (D-R), Temkin, Sips and Toth isotherms. Sorption of Cu(II) onto marine green algae Helimeda gracilis followed the Langmuir and Toth isotherm models (R(2)=0.998 and R(2)=0.999) with the maximum sorption capacity of 38.46 and 38.07mg/g. The calculated thermodynamic parameters such as ΔG°, ΔH° and ΔS° showed that the sorption of Cu(II) ions onto Helimeda gracilis biomass was feasible, spontaneous and endothermic. Desorption study shows that the sorbent could be regenerated using 0.2M HCl solution, with up to 89% recovery.


Assuntos
Clorófitas/química , Cobre/isolamento & purificação , Recuperação e Remediação Ambiental/métodos , Poluentes Químicos da Água/isolamento & purificação , Adsorção , Biomassa , Clorófitas/metabolismo , Concentração de Íons de Hidrogênio , Íons , Cinética , Modelos Teóricos , Soluções , Espectroscopia de Infravermelho com Transformada de Fourier , Termodinâmica
14.
Spectrochim Acta A Mol Biomol Spectrosc ; 136 Pt B: 256-64, 2015 Feb 05.
Artigo em Inglês | MEDLINE | ID: mdl-25311523

RESUMO

The reduced graphene oxide (RGO)/Fe3O4 nanocomposites were synthesized through a facile one-pot green synthesis by using solanum trilobatum extract as a reducing agent. Spherical shaped Fe3O4 nanoparticles with the diameter of 18 nm were uniformly anchored over the RGO matrix and the existence of fcc structured Fe3O4 nanoparticles over the RGO matrix was ensured from X-ray diffraction patterns. The amide functional groups exist in the solanum trilobatum extract is directly responsible for the reduction of Fe(3+) ions and GO. The thermal stability of GO was increased by the removal of hydrophilic functional groups via solanum trilobatum extract and was further promoted by the ceramic Fe3O4 nanoparticles. The ID/IG ratio of RGO/Fe3O4 was increased over GO, indicating the extended number of structural defects and disorders in the RGO/Fe3O4 composite. The catalytic efficiency of prepared nanostructures toward methylene blue (MB) dye degradation mediated through the electron transfer process of BH4(-) ions was studied in detail. The π-π stacking, hydrogen bonding and electrostatic interaction exerted between the RGO/Fe3O4 composite and methylene blue, increased the adsorption efficiency of dye molecules and the large surface area and extended number of active sites completely degraded the MB dye within 12 min.


Assuntos
Ácidos Borônicos/química , Corantes/isolamento & purificação , Compostos Férricos/química , Grafite/química , Química Verde/métodos , Azul de Metileno/isolamento & purificação , Nanocompostos/química , Boroidretos/química , Catálise , Nanocompostos/ultraestrutura , Oxirredução , Extratos Vegetais/química , Reciclagem , Solanum/química , Espectrofotometria Ultravioleta , Espectroscopia de Infravermelho com Transformada de Fourier , Análise Espectral Raman , Termogravimetria , Difração de Raios X
15.
Indian J Otolaryngol Head Neck Surg ; 66(Suppl 1): 198-202, 2014 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-24533383

RESUMO

Despite the availability of various surgical options, management of laryngotracheal stenosis (LTS) still remains an enigma. Proper selection of surgical technique in each clinical setting is the key for successful outcome. The purpose of this article is to guide one in selection of appropriate surgical procedures depending upon various stenosis parameters. Aim To record the clinical profile of cases with LTS. To assess the outcome following various surgical interventions based on site, severity, cause of stenosis and to derive conclusions regarding treatment options in various stenosis. Materials and Methods It is a study of 60 cases with chronic LTS. It includes retrospective study of 30 cases treated from 2004 and prospective study of 30 cases from Jan 2007 to Dec 2009. A total of 60 cases with LTS were enrolled in the study. Patients were assessed clinically by eliciting detailed history and analyzing previous records. After assessment of extent of stenosis, they were subjected to surgical interventions (endoscopic/open approach). Outcome after surgical interventions was assessed. Results 60 patients were included in the study, in the age group of 2.5-50 years. There were 46 (77%) male patients and 14 (23%) female patients. Intrinsic trauma, secondary to prolonged intubation was the most common cause of LTS, seen in 23 (38%) cases followed by post traumatic stenosis (strangulation-18 (30%), blunt injury-15 (25%), penetrating neck injury-4 (7%)). Stenosis was divided into 6 types based on subsite involvement. Of which, cervical trachea was the commonest site of involvement (25/60 cases). Majority of cases had fixed vocal cords at presentation (55%), more commonly due to post traumatic injury. 60 cases had undergone a total of 110 surgical procedures (endoscopic-56,open approach-54). In the end, overall decannulation rate is 93.3%. In site wise tracheal stenosis, isolated subglottis, combined glottis and subglottic stenosis had decannulation rate of 100% each and with mobile vocal cords, the success rate is 96%. Conclusions Post traumatic stenosis with fixed vocal cords is more common in our practice. Categorizing stenosis into various subtypes helps in treatment planning and predicts surgical outcome. Tracheal or subglottic stenosis with mobile vocal cords has better success rate.

16.
Artigo em Inglês | MEDLINE | ID: mdl-23880408

RESUMO

4-N,N'-dimethylamino-N-methyl-4-stilbazolium toyslate (DAST) and diethanolamine (DEA) added DAST crystals are grown by slow cooling method. The corresponding powder samples are examined by characterization studies such as XRD, FT-IR, FT-Raman, UV-Vis-NIR and photoluminescence studies. From the powder X-ray diffraction, their lattice parameter values are found out. Since the vibrational spectra of the molecules are considerably contributed to their linear and nonlinear optical effects, Infrared and Raman spectroscopic studies are carried out for the samples. The UV-Vis-NIR absorption spectra of the samples are used to find the nature of transitions occurred in the samples. Using the density functional theory, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) analyses are done in order to explain the transition and density of states (DOS). The first order hyperpolarizability is calculated by HF and B3LYP/6-311 G(d,p) basis sets for the DAST molecule. From the photoluminescence (PL) spectral studies, the strong excitation emissions are observed.


Assuntos
Dimetilaminas/química , Etanolaminas/química , Dinâmica não Linear , Piridinas/química , Análise Espectral Raman , Compostos de Tosil/química , Cristalização , Luminescência , Conformação Molecular , Piridinas/síntese química , Espectrofotometria Ultravioleta , Espectroscopia de Infravermelho com Transformada de Fourier , Espectroscopia de Luz Próxima ao Infravermelho , Difração de Raios X
17.
Mini Rev Med Chem ; 13(10): 1415-20, 2013 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-23701655

RESUMO

6H-Indolo[2,3-b]quinoxaline, a planar fused heterocyclic compound exhibits a wide variety of pharmacological activities. The mechanism of pharmacological action exerted by these compounds is predominantly DNA intercalation. The thermal stability of the intercalated complex (DNA and 6H-indolo[2,3-b]quinoxaline derivatives) is an important parameter for the elucidation of anticancer, antiviral and other activities. This thermal stability of the 6H-indolo[2,3- b]quinoxaline-DNA complex depends on the type of substituents and side chains attached to the 6H-indolo[2,3- b]quinoxaline nucleus and also the orientation of the side chain towards the GC rich minor groove of the DNA. Highly active 6H-indolo[2,3-b]quinoxaline derivatives such as NCA0424, B-220 and 9-OH-B-220 have shown good binding affinity to DNA as evident from high thermal stability of compound-DNA complex. Interestingly, these compounds possessed poor inhibitory activity on topoisomerase II enzyme but have significant MDR modulating activity. This review establishes '6H-indolo[2,3-b]quinoxaline' as a valuable template for design and development of novel molecules with different biological activities.


Assuntos
DNA/química , Indóis/química , Indóis/farmacologia , Proteínas/química , Quinoxalinas/química , Quinoxalinas/farmacologia , Animais , Humanos , Relação Estrutura-Atividade
18.
J Enzyme Inhib Med Chem ; 27(2): 201-7, 2012 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-21635210

RESUMO

A series of 1,2,4-trisubstituted 5-imidazolinone derivatives were synthesized by Erlenmeyer condensation of benzoylglycine (hippuric acid) with different aldehydes in the presence of sodium acetate and acetic anhydride. The derivatives of the compounds were prepared by condensation of some known sulpha drugs with 5-oxazolone derivatives. The anticonvulsant activity of the compounds was determined by the protection of pentylenetetrazole-induced convulsions that was ranged from 10 to 60%. The compounds with p-OCH3, p-OH and o-Cl substitutions in the phenyl ring on 4(th) position of the imidazolinone ring exhibited good anticonvulsant activity. In silico metabolic and toxicity studies showed that all the compounds in the series are not likely to exhibit toxicity except the compounds IIIa, IIIb, VIa and VIb, that is predicted to show 29% mutagenicity and 53% irritation in comparison to the other compounds. The predicted lethal effect and hERG toxicity of the compounds showed that IIa, IVa, Va and Vb might be toxic at higher concentrations. The results successfully establish the synthesized imidazolinone derivatives as novel compounds with anticonvulsant properties, low predicted cardiotoxicity and lethal effects thus can be promising leads for further development as novel anticonvulsants.


Assuntos
Anticonvulsivantes/síntese química , Anticonvulsivantes/farmacologia , Anticonvulsivantes/toxicidade , Imidazolinas/síntese química , Imidazolinas/farmacologia , Imidazolinas/toxicidade , Convulsões/prevenção & controle , Animais , Convulsivantes/toxicidade , Camundongos , Estrutura Molecular , Pentilenotetrazol/toxicidade , Convulsões/induzido quimicamente , Software , Relação Estrutura-Atividade
20.
Indian J Pediatr ; 78(12): 1485-90, 2011 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-21769525

RESUMO

OBJECTIVE: To determine the growth and neurosensory outcomes of infants with birth weight ≤ 1,500 g or gestation ≤ 32 wks at 18 months corrected age. This prospective cohort study was conducted at a Level III neonatal unit in India. The neonates with birth weight ≤ 1,500 g or gestation ≤ 32 wks were included in the study. METHODS: The infants were followed up at 3,6,9,12 and 18 months corrected age. Weight, length and head circumference were plotted on WHO multisite growth reference study (MGRS) charts. Neurological examination was conducted by Amiel-Tison method, hearing was evaluated with brainstem auditory evoked responses, vision assessed with Teller acuity cards, and development assessed with Developmental Assessment Scales for Indian Infants II. RESULTS: During the period from July 2006 through June 2007, there were 141 neonates born at gestation ≤ 32 wks or birth weight ≤ 1,500 g. Seven infants had major malformations, 30 died before discharge, 36 had residence > 20 km and parents of four had refused consent. The remaining 64 neonates were enrolled for follow up. The mean gestation and birth weight were 31(2.4) wks and 1208 (365) g respectively. There were 38 (59%) small for gestation infants. Fifty-five infants completed 18 months follow up for growth outcomes. Seventeen (30.9%; 95% CI 18.3% to 43.5%) infants were undernourished, 28(50.9%; 95% CI 37.3% to 64.6%) were stunted, 8(14.5%; 95% CI 0 to 24) were wasted and 14(25.4%; 95% CI 13.6% to 37.3%) had microcephaly. Infants with birth weight <1,000 g (n = 17) were significantly more affected. Ten (58.8%; p < 0.01) were undernourished, 13(76.5%; p < 0.01) were stunted and 10(58.8%; p < 0.01) had microcephaly. Complete formal neurological evaluation for development, hearing and vision was done in 31 infants. Six of these 31 (19.3%; 95% CI 4.6% to 34.1%) infants had one or more major disabilities. These included cerebral palsy (n = 3), developmental delay (development quotient <70, n = 3), and deafness (n = 3). CONCLUSIONS: Very low birth weight infants are at a high risk of neurosensory disability and growth failure. There is a need to create a nation-wide database of these infants for neurodevelopment and growth outcomes.


Assuntos
Deficiências do Desenvolvimento , Recém-Nascido Prematuro/crescimento & desenvolvimento , Recém-Nascido de muito Baixo Peso/crescimento & desenvolvimento , Deficiências do Desenvolvimento/epidemiologia , Feminino , Seguimentos , Humanos , Índia , Lactente , Recém-Nascido , Masculino , Doenças do Sistema Nervoso/epidemiologia , Gravidez
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