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1.
J Chem Inf Model ; 64(19): 7257-7272, 2024 Oct 14.
Artículo en Inglés | MEDLINE | ID: mdl-39297562

RESUMEN

One of the challenges in the plastic industry is the cost and time spent on the characterization of different grades of polymers. Compressed sensing is a data reconstruction method that combines linear algebra with optimization schemes to retrieve a signal from a limited set of measurements of that signal. Using a data set of signal examples, a tailored basis can be constructed, allowing for the optimization of the measurements that should be conducted to provide the highest and most robust signal reconstruction accuracy. In this work, compressed sensing was used to predict the values of numerous properties based on measurements for a small subset of those properties. A data set of 21 fully characterized acrylonitrile-butadiene-styrene samples was used to construct a tailored basis to determine the minimal subset of properties to measure to achieve high reconstruction accuracy for the remaining nonmeasured properties. The analysis showed that using only six measured properties, an average reconstruction error of less than 5% can be achieved. In addition, by increasing the number of measured properties to nine, an average error of less than 3% was achieved. Compressed sensing enables experts in academia and industry to substantially reduce the number of properties that must be measured to fully and accurately characterize plastics, ultimately saving both costs and time. In future work, the method should be expanded to optimize not only individual properties but also entire tests used to simultaneously measure multiple properties. Furthermore, this approach can also be applied to recycled materials, of which the properties are more difficult to predict.


Asunto(s)
Acrilonitrilo , Butadienos , Estireno , Butadienos/química , Acrilonitrilo/química , Estireno/química , Fenómenos Mecánicos
2.
Bioorg Chem ; 147: 107326, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38653153

RESUMEN

Continuing our research into the anticancer properties of acrylonitriles, we present a study involving the design, synthesis, computational analysis, and biological assessment of novel acrylonitriles derived from methoxy, hydroxy, and N-substituted benzazole. Our aim was to examine how varying the number of methoxy and hydroxy groups, as well as the N-substituents on the benzimidazole core, influences their biological activity. The newly synthesized acrylonitriles exhibited strong and selective antiproliferative effects against the Capan-1 pancreatic adenocarcinoma cell line, with IC50 values ranging from 1.2 to 5.3 µM. Consequently, these compounds were further evaluated in three other pancreatic adenocarcinoma cell lines, while their impact on normal PBMC cells was also investigated to determine selectivity. Among these compounds, the monohydroxy-substituted benzimidazole derivative 27 emerged with the most profound and broad-spectrum anticancer antiproliferative activity being emerged as a promising lead candidate. Moreover, a majority of the acrylonitriles in this series exhibited significant antioxidative activity, surpassing that of the reference molecule BHT, as demonstrated by the FRAP assay (ranging from 3200 to 5235 mmolFe2+/mmolC). Computational analysis highlighted the prevalence of electron ionization in conferring antioxidant properties, with computed ionization energies correlating well with observed activities.


Asunto(s)
Acrilonitrilo , Antineoplásicos , Antioxidantes , Proliferación Celular , Relación Dosis-Respuesta a Droga , Ensayos de Selección de Medicamentos Antitumorales , Neoplasias Pancreáticas , Antineoplásicos/farmacología , Antineoplásicos/química , Antineoplásicos/síntesis química , Proliferación Celular/efectos de los fármacos , Humanos , Acrilonitrilo/química , Acrilonitrilo/farmacología , Acrilonitrilo/análogos & derivados , Acrilonitrilo/síntesis química , Neoplasias Pancreáticas/tratamiento farmacológico , Neoplasias Pancreáticas/patología , Relación Estructura-Actividad , Estructura Molecular , Antioxidantes/farmacología , Antioxidantes/química , Antioxidantes/síntesis química , Adenocarcinoma/tratamiento farmacológico , Adenocarcinoma/patología , Línea Celular Tumoral , Bencimidazoles/química , Bencimidazoles/farmacología , Bencimidazoles/síntesis química
3.
J Environ Manage ; 364: 121473, 2024 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-38878582

RESUMEN

The newly discovered ClO• and BrO• contribute to pollutant degradation in advanced oxidation processes, while acrylamide (AM) and acrylonitrile (ACN) are always the focus of scientists concerned due to their continuous production and highly toxic effects. Moreover, various particles with a graphene-like structure are the companions of AM/ACN in dry/wet sedimentation or aqueous phase existence, which play an important role in heterogeneous oxidation. Thus, this work focuses on the reaction mechanism and environmental effect of AM/ACN with ClO•/BrO•/HO• in the water environment under the influence of graphene (GP). The results show that although the reactivity sequence of AM and ACN takes the order of with HO• > with BrO• > with ClO•, the easiest channel always occurs at the same C-position of the two reactants. The reaction rate constants (k) of AM with three radicals are 2 times larger than that with ACN, and amide groups have a better ability to activate CC bonds than cyanide groups. The existence of GP can accelerate the target reaction, and the k increased by 9-13 orders of magnitude. The toxicity assessment results show that the toxic effect of most products is lower than that of parent compounds, but the environmental risk of products from ClO•/BrO•-adducts is higher than those from HO•-adducts. The oxidative degradation process based on ClO• and BrO• deserves special attention, and the catalytic effect of GP and its derivatives on the oxidation process is non-negligible.


Asunto(s)
Acrilamida , Acrilonitrilo , Grafito , Oxidación-Reducción , Acrilonitrilo/química , Acrilamida/química , Grafito/química , Contaminantes Químicos del Agua/química , Modelos Teóricos , Radical Hidroxilo/química
4.
Molecules ; 29(10)2024 May 08.
Artículo en Inglés | MEDLINE | ID: mdl-38792069

RESUMEN

A highly efficient low-cost adsorbent was prepared using raw and chemically modified cellulose isolated from sugarcane bagasse for decontamination of Cr(VI) from wastewater. First, cellulose pulp was isolated from sugarcane bagasse by subjecting it to acid hydrolysis, alkaline hydrolysis and bleaching with sodium chlorate (NaClO3). Then, the bleached cellulose pulp was chemically modified with acrylonitrile monomer in the presence Fenton's reagent (Fe+2/H2O2) to carry out grafting of acrylonitrile onto cellulose by atom transfer radical polymerization. The developed adsorbent (acrylonitrile grafted cellulose) was analyzed by X-ray diffraction analysis (XRD), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR). Both raw cellulose and acrylonitrile grafted cellulose were used for chromium removal from wastewater. The effects of metal ion concentration, pH, adsorbent dose and time were studied, and their values were optimized. The optimum conditions for the adsorption of Cr(VI) onto raw and chemically modified cellulose were: metal ion concentration: 50 ppm, adsorbent dose: 1 g, pH: 6, and time: 60 min. The maximum efficiencies of 73% and 94% and adsorption capacities of 125.95 mg/g and 267.93 mg/g were achieved for raw and acrylonitrile grafted cellulose, respectively. High removal efficiency was achieved, owing to high surface area of 79.92 m2/g and functional active binding cites on grafted cellulose. Isotherm and kinetics studies show that the experimental data were fully fitted by the Freundlich isotherm model and pseudo first-order model. The adsorbent (acrylonitrile grafted cellulose) was regenerated using three different types of regenerating reagents and reused thirty times, and there was negligible decrease (19%) in removal efficiency after using it for 30 times. Hence, it is anticipated that acrylonitrile could be utilized as potential candidate material for commercial scale Cr(VI) removal from wastewater.


Asunto(s)
Acrilonitrilo , Celulosa , Cromo , Saccharum , Aguas Residuales , Contaminantes Químicos del Agua , Purificación del Agua , Celulosa/química , Cromo/aislamiento & purificación , Cromo/química , Acrilonitrilo/química , Saccharum/química , Aguas Residuales/química , Adsorción , Contaminantes Químicos del Agua/química , Contaminantes Químicos del Agua/aislamiento & purificación , Purificación del Agua/métodos , Concentración de Iones de Hidrógeno , Cinética , Espectroscopía Infrarroja por Transformada de Fourier , Difracción de Rayos X
5.
Environ Res ; 238(Pt 1): 117126, 2023 12 01.
Artículo en Inglés | MEDLINE | ID: mdl-37716383

RESUMEN

Given the rise in both usage and disposal of dangerous electronics, there is a catastrophic rise in assemblage of electronic waste (e-waste). E-waste including various plastic resins are among the most frequently discarded materials in electronic gadgets. In current digital era, managing e-waste has become universal concern. From the viewpoint of persisting lacuna of e-waste managing methods, the current study is designed to fabricate an eco-friendly e-waste treatment with native soil bacteria employing an enrichment culture method. In the presence of e-waste, indigenous soil microbes were stimulated to degrade e-waste. Microbial cultures were isolated using enrichment medium containing acrylonitrile-butadiene styrene (ABS) as the primary carbon source. Priestia aryabhattai MGP1 was found to be the most dominant e-polymer degrading bacterial isolate, as it was reported to degrade ABS plastic in disposed-off television casings. Furthermore, to increase degradation potential of MGP1, Response Surface Methodology (RSM) was adopted which resulted in optimized conditions (pH 7, shaking-speed 120 rpm, and temperature 30 °C), for maximum degradation (18.88%) after 2 months. The structural changes induced by microbial treatment were demonstrated by comparing the findings of Field emission scanning electron microscopy (FESEM) images and Fourier Transform Infrared (FTIR) spectra confirming the disappearance of ≡ C─H peaks along with C-H, C=C and C ≡N bond destabilization following degradation. Energy-dispersive X-ray (EDX) analyzers of the native and decomposed e-polymer samples revealed a considerable loss in elemental weight % of oxygen by 8.4% and silica by 0.5%. Magnesium, aluminium and chlorine which were previously present in the untreated sample, were also removed after treatment by the bacterial action. When seeds of Vigna radiata were screened using treated soil in the presence of both e-waste and the chosen potent bacterial strain, it was also discovered that there was reduced toxicity in terms of improved germination and growth metrics as a phytotoxicity criterion.


Asunto(s)
Acrilonitrilo , Residuos Electrónicos , Estireno , Plásticos , Acrilonitrilo/química , Butadienos/química , Biodegradación Ambiental , Suelo , Residuos Electrónicos/análisis , Polímeros , Bacterias
6.
Ecotoxicol Environ Saf ; 252: 114570, 2023 Mar 01.
Artículo en Inglés | MEDLINE | ID: mdl-36706528

RESUMEN

With styrene and acrylonitrile in ABS plastic toys as examples, this paper introduces to the development of a systematic strategy for studying the chemical migration risk in toys. The approach, included the detection method, establishment of migration model, model verification, and the practical application of the model in risk assessment. First, simple and sensitive methods for detecting analyte residues and migration were developed by headspace GC-MS. Then, the migration models were established based on the migration data from 5 min to 168 h and verified using 11 ABS samples. The results showed that the predicted values of the models and the experimental values had a good fit (RMSE=0.10-8.72 %). Subsequently, the migration of analytes in 94 ABS toys was predicted with these models at specific migration times. The daily average exposure level to styrene and acrylonitrile were estimated for children (3 months to 3 years). At last, the migration models reasonably predicted that the cancer risk of styrene and acrylonitrile in ABS toys were 1.6 × 10-8-1.4 × 10-6 and 3.1 × 10-8-1.6 × 10-6, respectively. This research contributes to promote toy safety and child health by enriching migration models and risk assessments.


Asunto(s)
Acrilonitrilo , Estireno , Niño , Humanos , Estireno/química , Acrilonitrilo/química , Plásticos/química , Butadienos , Medición de Riesgo
7.
Molecules ; 27(7)2022 Mar 22.
Artículo en Inglés | MEDLINE | ID: mdl-35408448

RESUMEN

Five focused compound libraries (forty-nine compounds), based on prior studies in our laboratory were synthesized and screened for antibiotic and anti-fungal activity against S. aureus, E. coli, K. pneumoniae, P. aeruginosa, A. baumannii, C. albicans and C. neoformans. Low levels of activity, at the initial screening concentration of 32 µg/mL, were noted with analogues of (Z)-2-(3,4-dichlorophenyl)-3-phenylacrylonitriles which made up the first two focused libraries produced. The most promising analogues possessing additional substituents on the terminal aromatic ring of the synthesised acrylonitriles. Modifications of the terminal aromatic moiety were explored through epoxide installation flowed by flow chemistry mediated ring opening aminolysis with discreet sets of amines to the corresponding amino alcohols. Three new focused libraries were developed from substituted anilines, cyclic amines, and phenyl linked heterocyclic amines. The aniline-based compounds were inactive against the bacterial and fungal lines screened. The introduction of a cyclic, such as piperidine, piperazine, or morpholine, showed >50% inhibition when evaluated at 32 µg/mL compound concentration against methicillin-resistant Staphylococcus aureus. Examination of the terminal aromatic substituent via oxirane aminolysis allowed for the synthesis of three new focused libraries of afforded amino alcohols. Aromatic substituted piperidine or piperazine switched library activity from antibacterial to anti-fungal activity with ((Z)-2-(3,4-dichlorophenyl)-3-(4-(2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy)phenyl)acrylonitrile), ((Z)-2-(3,4-dichlorophenyl)-3-(4-(2-hydroxy-3-(4-(4-hydroxyphenyl)piperazin-1-yl)propoxy)-phenyl)acrylonitrile) and ((Z)-3-(4-(3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy)-phenyl)-2-(3,4-dichlorophenyl)-acrylonitrile) showing >95% inhibition of Cryptococcus neoformans var. grubii H99 growth at 32 µg/mL. While (Z)-3-(4-(3-(cyclohexylamino)-2-hydroxypropoxy)phenyl)-2-(3,4-dichlorophenyl)-acrylonitrile, (S,Z)-2-(3,4-dichlorophenyl)-3-(4-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)acrylonitrile, (R,Z)-2-(3,4-dichlorophenyl)-3-(4-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)acrylonitrile, (Z)-2-(3,4-dichlorophenyl)-3-(4-(2-hydroxy-3-(D-11-piperidin-1-yl)propoxy)phenyl)-acrylonitrile, and (Z)-3-(4-(3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy)-phenyl)-2-(3,4-dichlorophenyl)-acrylonitrile 32 µg/mL against Staphylococcus aureus.


Asunto(s)
Acrilonitrilo , Staphylococcus aureus Resistente a Meticilina , Acrilonitrilo/química , Amino Alcoholes , Antibacterianos/química , Antifúngicos/química , Escherichia coli , Klebsiella pneumoniae , Pruebas de Sensibilidad Microbiana , Piperazina , Pseudomonas aeruginosa , Staphylococcus aureus , Relación Estructura-Actividad
8.
J Mol Recognit ; 34(4): e2880, 2021 04.
Artículo en Inglés | MEDLINE | ID: mdl-33166010

RESUMEN

In this work, seven acrylonitrile derivatives were selected as potential inhibitors of fat and obesity-related proteins (FTO) by the aid of fluorescence spectroscopy, ultraviolet visible spectroscopy, molecular docking, and cytotoxicity methods. Results show that the interaction between 3-amino-2-(4-chlorophenyl)-3-phenylacrylonitrile (1a) and FTO was the strongest among these derivatives. Thermodynamic analysis and molecular modeling show that the main force between 1a and FTO is hydrophobic interaction. The cytotoxicity test showed that the IC50 value of 1a was 46.64 µmol/L, which indicated 1a had the smallest IC50 value and had the best inhibitory effect on the proliferation of leukemia K562 cells among the seven derivatives. Both our previous results and this work show that chlorine atoms play important role in the binding of small molecules and FTO. This work brings new information for the study of FTO inhibitors.


Asunto(s)
Acrilonitrilo/química , Acrilonitrilo/metabolismo , Dioxigenasa FTO Dependiente de Alfa-Cetoglutarato/química , Dioxigenasa FTO Dependiente de Alfa-Cetoglutarato/metabolismo , Cloro/química , Acrilonitrilo/farmacología , Antineoplásicos/química , Antineoplásicos/farmacología , Proliferación Celular/efectos de los fármacos , Fluorescencia , Humanos , Células K562 , Modelos Moleculares , Espectrometría de Fluorescencia/métodos , Espectrofotometría Ultravioleta , Termodinámica
9.
Int J Mol Sci ; 22(5)2021 Feb 24.
Artículo en Inglés | MEDLINE | ID: mdl-33668139

RESUMEN

New 2-(thien-2-yl)-acrylonitriles with putative kinase inhibitory activity were prepared and tested for their antineoplastic efficacy in hepatoma models. Four out of the 14 derivatives were shown to inhibit hepatoma cell proliferation at (sub-)micromolar concentrations with IC50 values below that of the clinically relevant multikinase inhibitor sorafenib, which served as a reference. Colony formation assays as well as primary in vivo examinations of hepatoma tumors grown on the chorioallantoic membrane of fertilized chicken eggs (CAM assay) confirmed the excellent antineoplastic efficacy of the new derivatives. Their mode of action included an induction of apoptotic capsase-3 activity, while no contribution of unspecific cytotoxic effects was observed in LDH-release measurements. Kinase profiling of cancer relevant protein kinases identified the two 3-aryl-2-(thien-2-yl)acrylonitrile derivatives 1b and 1c as (multi-)kinase inhibitors with a preferential activity against the VEGFR-2 tyrosine kinase. Additional bioinformatic analysis of the VEGFR-2 binding modes by docking and molecular dynamics calculations supported the experimental findings and indicated that the hydroxy group of 1c might be crucial for its distinct inhibitory potency against VEGFR-2. Forthcoming studies will further unveil the underlying mode of action of the promising new derivatives as well as their suitability as an urgently needed novel approach in HCC treatment.


Asunto(s)
Acrilonitrilo/química , Carcinoma Hepatocelular/tratamiento farmacológico , Neoplasias Hepáticas/tratamiento farmacológico , Inhibidores de Proteínas Quinasas/química , Inhibidores de Proteínas Quinasas/farmacología , Tiofenos/farmacología , Receptor 2 de Factores de Crecimiento Endotelial Vascular/antagonistas & inhibidores , Carcinoma Hepatocelular/metabolismo , Carcinoma Hepatocelular/patología , Proliferación Celular , Relación Dosis-Respuesta a Droga , Ensayos de Selección de Medicamentos Antitumorales , Células Hep G2 , Humanos , Neoplasias Hepáticas/metabolismo , Neoplasias Hepáticas/patología , Simulación del Acoplamiento Molecular , Estructura Molecular , Relación Estructura-Actividad , Tiofenos/química
10.
Electrophoresis ; 41(3-4): 225-234, 2020 02.
Artículo en Inglés | MEDLINE | ID: mdl-31816114

RESUMEN

We have 3D printed and fabricated micro free-flow electrophoresis (µFFE) devices in acrylonitrile butadiene styrene (ABS) that exhibit minimal surface adsorption without requiring additional surface coatings or specialized buffer additives. 2D, nano LC-micro free flow electrophoresis (2D nLC × µFFE) separations were used to assess both spatial and temporal broadening as peaks eluted through the separation channel. Minimal broadening due to wall adsorption was observed in either the spatial or temporal dimensions during separations of rhodamine 110, rhodamine 123, and fluorescein. Surface adsorption was observed in separations of Chromeo P503 labeled myoglobin and cytochrome c but was significantly reduced compared to previously reported glass devices. Peak widths of < 30 s were observed for both proteins. For comparison, Chromeo P503 labeled myoglobin and cytochrome c adsorb strongly to the surface of glass µFFE devices resulting in peak widths >20 min. A 2D nLC × µFFE separation of a Chromeo P503 labeled tryptic digest of BSA was performed to demonstrate the high peak capacity possible due to the low surface adsorption in the 3D printed ABS devices, even in the absence of surface coatings or buffer additives.


Asunto(s)
Acrilonitrilo/química , Butadienos/química , Electroforesis/instrumentación , Impresión Tridimensional , Estireno/química , Adsorción , Diseño de Equipo , Colorantes Fluorescentes/análisis , Colorantes Fluorescentes/química , Colorantes Fluorescentes/aislamiento & purificación , Modelos Químicos , Propiedades de Superficie
11.
J Biol Inorg Chem ; 25(6): 903-911, 2020 09.
Artículo en Inglés | MEDLINE | ID: mdl-32812122

RESUMEN

An Fe-type nitrile hydratase α(ɛ) protein complex from Rhodococcus equi TG328-2 (ReNHase) was discovered and shown by MALDI-TOF to form a 1:1 complex. As isolated, the α(ɛ) protein complex exhibited no detectable NHase activity even in the presence of iron. The addition of the ReNHase ß-subunit and Fe(II) to the ReNHase apo-α(ε) complex, provided an enzyme with a kcat value of 0.7 ± 0.1 s-1 using acrylonitrile as the substrate, indicating that the ß-subunit is important for the reconstitution of NHase activity. The addition of the reducing agent TCEP enhanced the activity by more than 50% (kcat of 1.7 ± 0.2 s-1). As the (ɛ) protein was previously shown to bind and hydrolyze GTP, the addition of GTP to the as-purified α(ε) complex provided a kcat value of 1.1 ± 0.2 s-1, in the presence of Fe(II) and ß-subunit. The addition of TCEP to this combination further enhanced the activity (kcat of 2.1 ± 0.3 s-1). Apo α-subunit was expressed in purified and added to the (ɛ) protein and ß-subunits plus Fe(II) and TCEP resulting in a kcat value of 0.7 ± 0.2 s-1 suggesting an α(ɛ) complex can form in vitro. The addition of GTP to this sample increased the observed rate of nitrile hydration by ~ 30%, while TCEP free samples exhibited no activity. Taken together, these data provide insight into the role of the (ɛ) protein and the newly discovered α(ɛ) complex in NHase metallocenter assembly.


Asunto(s)
Proteínas Bacterianas/química , Hidroliasas/química , Hierro/química , Rhodococcus equi/enzimología , Acrilonitrilo/química , Catálisis , Activación Enzimática , Hidrólisis , Cinética , Unión Proteica , Conformación Proteica , Rhodococcus equi/genética
12.
Bioorg Med Chem ; 28(21): 115605, 2020 11 01.
Artículo en Inglés | MEDLINE | ID: mdl-33065441

RESUMEN

One of the most prevailing metabolic disorder diabetes mellitus has become the global health issue that has to be addressed and cured. Different marketed drugs have been made available for the treatment of diabetes but there is still a need of introducing new therapeutic agents that are economical and have lesser or no side effects. The current study deals with the synthesis of indole acrylonitriles (3-23) and the evaluation of these compounds for their potential for α-glucosidase inhibition. The structures of these synthetic molecules were deduced by using different spectroscopic techniques. Acarbose (IC50 = 2.91 ± 0.02 µM) was used as standard in this study and the synthetic molecules (3-23) have shown promising α-glucosidase inhibitory activity. Compounds 4, 8, 10, 11, 14, 18, and 21 displayed superior inhibition of α-glucosidase enzyme in the range of (IC50 = 0.53 ± 0.01-1.36 ± 0.04 µM) as compared to the standard acarbose. Compound 10 (IC50 = 0.53 ± 0.01 µM) was the most effective inhibitor of this library and displayed many folds enhanced activity in contrast to the standard. Molecular docking of synthetic compounds was performed to verify the binding interactions of ligand with the active site of enzyme. This study had identified a number of potential α-glucosidase inhibitors that can be used for further research to identify a potent therapeutic agent against diabetes.


Asunto(s)
Inhibidores de Glicósido Hidrolasas/química , Hipoglucemiantes/síntesis química , Indoles/química , alfa-Glucosidasas/metabolismo , Acrilonitrilo/química , Sitios de Unión , Dominio Catalítico , Diabetes Mellitus/tratamiento farmacológico , Inhibidores de Glicósido Hidrolasas/metabolismo , Inhibidores de Glicósido Hidrolasas/uso terapéutico , Humanos , Hipoglucemiantes/metabolismo , Hipoglucemiantes/uso terapéutico , Indoles/metabolismo , Indoles/uso terapéutico , Simulación del Acoplamiento Molecular , Solubilidad , Relación Estructura-Actividad , alfa-Glucosidasas/química
13.
Blood Purif ; 49(3): 364-371, 2020.
Artículo en Inglés | MEDLINE | ID: mdl-31940608

RESUMEN

INTRODUCTION: Sepsis is a systemic inflammatory response syndrome caused by infectious diseases, with cytokines possibly having an important role in the disease mechanism. Acrylonitrile-co-methallyl sulfonate surface-treated (AN69ST) membrane is expected to improve the outcomes of patients with sepsis through cytokine adsorption. OBJECTIVE: This study aimed to investigate the clinical effect of the AN69ST membrane in comparison to standard continuous renal replacement therapy (CRRT) membranes for panperitonitis due to lower gastrointestinal perforation. METHODS: Using the Diagnosis Procedure Combination database, we identified adult patients with sepsis due to panperitonitis receiving any CRRT. Propensity score matching was used to compare patients who received CRRT with the AN69ST membrane (AN69ST group) and those who received CRRT with other membranes (non-AN69ST group). The primary outcome measure was in-hospital mortality. RESULTS: A total of 528 and 1,445 patients were included in the AN69ST group and in the non-AN69ST group, respectively. Propensity score matching resulted in 521 pairs. There was no significant difference in in-hospital mortality (32.1 vs. 35.5%; p = 0.265) and 30-day mortality (41.3 vs. 42.8%, p = 0.074) between the AN69ST group and the non-AN69ST group. CONCLUSION: There is no significant difference in-hospital mortality between CRRT with the AN69ST membrane and CRRT with standard CRRT membranes for panperitonitis due to lower gastrointestinal perforation. These results indicate that the AN69ST membrane is not superior to the standard CRRT membrane.


Asunto(s)
Acrilonitrilo/química , Alcanosulfonatos/química , Citocinas/aislamiento & purificación , Peritonitis/complicaciones , Sepsis/terapia , Desintoxicación por Sorción/métodos , Adolescente , Adsorción , Adulto , Femenino , Humanos , Estimación de Kaplan-Meier , Masculino , Membranas Artificiales , Terapia de Reemplazo Renal , Estudios Retrospectivos , Sepsis/etiología , Propiedades de Superficie , Adulto Joven
14.
Drug Dev Res ; 81(1): 70-84, 2020 02.
Artículo en Inglés | MEDLINE | ID: mdl-31696542

RESUMEN

In this study, we report the ring transformation of 3-arylsydnone into 1-aryl-1H-pyrazole-3-carbonitriles via [3 + 2] cycloaddition with acrylonitrile. 1-Aryl-1H-pyrazole-3-carbonitrile underwent [2 + 3] cycloaddition with sodium azide to afford 5-(1-aryl-1H-pyrazol-3-yl)-1H-tetrazoles which were further subjected to N-alkylation with aryl/heteroaryl alkyl halides to afford 1,5- and 2,5-disubstituted tetrazoles. Furthermore, the title compounds were screened for in vivo antihyperglycemic activity using albino Wistar rats of either sex. Compounds 4a, 6b, 7a, 7b, 8b, and 9b showed maximum fall in the blood glucose levels in streptozotocin-induced diabetic rats after 5-7 days of administration. In support of antidiabetic activity, we also performed the experimental in vivo studies, namely, effect of compounds on enzymes (serum glutamic oxaloacetic transaminase, serum glutamic-pyruvic transaminase, creatinine, urea, and total protein), antihyperlipidemic, and histopathology. Moreover, the molecular docking study has been performed for potent molecules among the series with glycogen phosphorylase as target enzyme, and this study corroborated the experimental in vivo results.


Asunto(s)
Diabetes Mellitus Experimental/tratamiento farmacológico , Inhibidores Enzimáticos/administración & dosificación , Inhibidores Enzimáticos/síntesis química , Glucógeno Fosforilasa/antagonistas & inhibidores , Tetrazoles/administración & dosificación , Tetrazoles/síntesis química , Acrilonitrilo/química , Animales , Glucemia/efectos de los fármacos , Reacción de Cicloadición , Diabetes Mellitus Experimental/metabolismo , Inhibidores Enzimáticos/química , Inhibidores Enzimáticos/farmacología , Femenino , Masculino , Simulación del Acoplamiento Molecular , Simulación de Dinámica Molecular , Estructura Molecular , Ratas , Estreptozocina , Relación Estructura-Actividad , Tetrazoles/química , Tetrazoles/farmacología
15.
Molecules ; 25(1)2020 Jan 06.
Artículo en Inglés | MEDLINE | ID: mdl-31935863

RESUMEN

Herein, we report the development of chitosan (CH)-based bio-composite modified with acrylonitrile (AN) in the presence of carbon disulfide. The current work aimed to increase the Lewis basic centers on the polymeric backbone using single-step three-components (chitosan, carbon disulfide, and acrylonitrile) reaction. For a said purpose, the thiocarbamate moiety was attached to the pendant functional amine (NH2) of chitosan. Both the pristine CH and modified CH-AN bio-composites were first characterized using numerous analytical and imaging techniques, including 13C-NMR (solid-form), Fourier-transform infrared spectroscopy (FTIR), elemental investigation, thermogravimetric analysis, and scanning electron microscopy (SEM). Finally, the modified bio-composite (CH-AN) was deployed for the decontamination of cations from the aqueous media. The sorption ability of the CH-AN bio-composite was evaluated by applying it to lead and copper-containing aqueous solution. The chitosan-based CH-AN bio-composite exhibited greater sorption capacity for lead (2.54 mmol g-1) and copper (2.02 mmol g-1) than precursor chitosan from aqueous solution based on Langmuir sorption isotherm. The experimental findings fitted better to Langmuir model than Temkin and Freundlich isotherms using linear regression method. Different linearization of Langmuir model showed different error functions and isothermal parameters. The nonlinear regression analysis showed lower values of error functions as compared with linear regression analysis. The chitosan with thiocarbamate group is an outstanding material for the decontamination of toxic elements from the aqueous environment.


Asunto(s)
Cationes/química , Quitosano/química , Descontaminación/métodos , Tiocarbamatos/química , Acrilonitrilo/química , Adsorción , Disulfuro de Carbono/química , Espectroscopía de Resonancia Magnética , Espectroscopía Infrarroja por Transformada de Fourier , Termogravimetría , Agua/química
16.
Molecules ; 25(6)2020 Mar 19.
Artículo en Inglés | MEDLINE | ID: mdl-32204541

RESUMEN

Heterojunction nanofibers of PAN decorated with sulfate doped Ag3PO4 nanoparticles (SO42--Ag3PO4/PAN electrospun nanofibers) were successfully fabricated by combining simple and versatile electrospinning technique with ion exchange reaction. The novel material possessing good flexibility could exhibit superior antibacterial property over sulfate undoped species (Ag3PO4/PAN electrospun nanofibers). FESEM, XRD, FTIR, XPS and DRS were applied to characterize the morphology, phase structure, bonding configuration, elemental composition, and optical properties of the as fabricated samples. FESEM characterization confirmed the successful incorporation of SO42--Ag3PO4 nanoparticles on PAN electrospun nanofibers. The doping of SO42- ions into Ag3PO4 crystal lattice by replacing PO43- ions can provide sufficient electron-hole separation capability to the SO42--Ag3PO4/PAN heterojunction to generate reactive oxygen species (ROS) under visible light irradiation and enhances its antibacterial performance. Finally, we hope this work may offer a new paradigm to design and fabricate other types of flexible self-supporting negative-ions-doped heterojunction nanofibers using electrospinning technique for bactericidal applications.


Asunto(s)
Resinas Acrílicas/química , Acrilonitrilo/análogos & derivados , Antibacterianos/síntesis química , Plata/farmacología , Sulfatos/química , Acrilonitrilo/química , Antibacterianos/química , Antibacterianos/farmacología , Escherichia coli/efectos de los fármacos , Escherichia coli/crecimiento & desarrollo , Nanopartículas del Metal , Pruebas de Sensibilidad Microbiana , Nanocompuestos/química , Tamaño de la Partícula , Plata/química , Staphylococcus aureus/efectos de los fármacos , Staphylococcus aureus/crecimiento & desarrollo
17.
J Am Chem Soc ; 141(38): 15111-15120, 2019 09 25.
Artículo en Inglés | MEDLINE | ID: mdl-31436971

RESUMEN

Acrylonitriles with aggregation-induced emission (AIE) characteristics have been found to show promising applications in two-photon biomedical imaging. Generally, elaborate synthetic efforts are required to achieve different acrylonitriles with distinct functionalities. In this work, we first reported the synthesis of two different group-functionalized AIE-active acrylonitriles (TPAT-AN-XF and 2TPAT-AN) obtained simply by mixing the same reactants at different temperatures using a facile and transition metal-free synthetic method. These two AIE luminogens (AIEgens) exhibit unique properties such as bright red emission in the solid state, large Stokes shift, and large two-photon absorption cross section. Water-soluble nanoparticles (NPs) of 2TPAT-AN were prepared by a nanoprecipitation method. In vitro imaging data show that 2TPAT-AN NPs can selectively stain lysosome in live cells. Besides one-photon imaging, remarkable two-photon imaging of live tumor tissues can be achieved with high resolution and deep tissue penetration. 2TPAT-AN NPs show high biocompatibility and are successfully utilized in in vivo long-term imaging of mouse tumors with a high signal-to-noise ratio. Thus, the present work is anticipated to shed light on the preparation of a library of AIE-active functionalized acrylonitriles with intriguing properties for biomedical applications.


Asunto(s)
Acrilonitrilo/química , Colorantes Fluorescentes/química , Imagen Óptica , Fotones , Acrilonitrilo/síntesis química , Colorantes Fluorescentes/síntesis química , Estructura Molecular
18.
Macromol Rapid Commun ; 40(13): e1900078, 2019 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-30969012

RESUMEN

Polymer brushes exhibit functionalities useful for a large number of applications. Often these functionalities only emerge when the polymer brushes have a desired thickness. Here, a significant breakthrough is achieved in the synthesis of ultra-thick polymer brushes using polymer initiators in the approach of surface-initiated atom transfer radical polymerization, yielding polymer brushes with a controllable thickness up to 15.1 µm. This is reportedly the thickest polymer brush ever synthesized. This approach is applicable for several monomers such as acrylonitrile, methyl acrylate, and styrene, and for other types of polymer substrates such as fibers.


Asunto(s)
Acrilatos/química , Acrilonitrilo/química , Polímeros/química , Estireno/química , Polimerizacion , Propiedades de Superficie
19.
Macromol Rapid Commun ; 40(17): e1800733, 2019 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-30817055

RESUMEN

The covalent cross-linked rubber has outstanding mechanical properties and chemical resistance, making it possible for a wide range of applications. Towards efforts to resource waste and environmental pollution, rubber recycling is a concerning problem. However, it is a big challenge to endow the most widely used commercial rubber systems with recyclability. In this paper, a novel reprocessable and recyclable acrylonitrile-butadiene rubber (NBR) is developed by introducing oxime-carbamate bonds into the raw NBR. Amidoxime NBR is prepared by a nucleophilic addition reaction of hydroxylamine hydrochloride and raw NBR, and then cross-linked amidoxime NBR using different amounts of toluene diisocynate (TDI). Results show that the obtained material exhibits good reprocessable property; the repairing efficiency exceeds 90% after two remoldings. In addition, it also has better mechanical properties: A tensile strength reaching a maximum value of 4.85 MPa when TDI cross-linker is 15.36 wt%, which is superior to vulcanized NBR (3.18 MPa).


Asunto(s)
Acrilonitrilo/química , Butadienos/química , Carbamatos/química , Oximas/química , Polímeros/química , Reciclaje/métodos , Goma/química , Resistencia a la Tracción
20.
Macromol Rapid Commun ; 40(13): e1900059, 2019 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-31021483

RESUMEN

An ionomeric, leathery thermoplastic with high mechanical strength is prepared by a new thermal processing method from a soft, melt-processable rubber. Compositions made by incorporation of equal-mass lignin, a renewable oligomeric feedstock, in an acrylonitrile-butadiene rubber often yield weak rubbers with large lignin domains (1-2 µm). The addition of zinc chloride (ZnCl2 ) in such a composition based on sinapyl alcohol-rich lignin during a solvent-free synthesis induces a strong interfacial crosslinking between lignin and rubber phases. This compositional modification results in finely interspersed lignin domains (<100 nm) that essentially reinforce the rubbery matrix with a 10-22 °C rise in the glassy-to-rubbery transition temperature. The ion-modified polymer blends also show improved materials properties, like a 100% increase in ultimate tensile strength and an order of magnitude rise in Young's modulus. Coarse-grained molecular dynamics (MD) simulations verify the morphology and dynamics of the ionomeric material. The computed result also confirms that the ionomers have glassy characteristics.


Asunto(s)
Lignina/química , Nanopartículas/química , Plásticos/química , Polímeros/química , Goma/química , Acrilonitrilo/química , Butadienos/química , Reactivos de Enlaces Cruzados/química , Resistencia a la Tracción
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