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1.
Analyst ; 149(6): 1738-1745, 2024 Mar 11.
Artigo em Inglês | MEDLINE | ID: mdl-38324339

RESUMO

Carrier-based polymeric membrane potentiometric sensors are an ideal tool for detecting ionic species. However, in the fabrication of these sensors, the screening of carriers still relies on empirical trial- and error-based optimization, which requires tedious and time-consuming experimental verification. In this work, computer-aided screening of carriers is applied in the preparation of polymeric membrane potentiometric sensors. Molecular docking is used to study the host-guest interactions between receptors and targets. Binding energies are employed as the standard to screen the appropriate carrier. As a proof-of-concept experiment, the antibiotic ciprofloxacin is selected as the target model. A series of supramolecular macrocyclic receptors including cyclodextrins, cucurbiturils and calixarenes are chosen as potential receptors. The proposed sensor based on the receptor calix[4]arene screened by molecular docking shows a lower detection limit of 0.5 µmol L-1 for ciprofloxacin. It can be expected that the proposed computer-aided screening technique of carriers can provide a simple but highly efficient method for the fabrication of carrier-based electrochemical and optical sensors.


Assuntos
Calixarenos , Compostos Macrocíclicos , Antibacterianos , Simulação de Acoplamento Molecular , Potenciometria , Compostos Macrocíclicos/química , Polímeros/química , Calixarenos/química , Ciprofloxacina
2.
Int J Surg ; 62: 5-11, 2019 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-30639574

RESUMO

BACKGROUND: Phenylephrine is the first-line vasoactive drug in the cesarean section under spinal anesthesia. The rate of hypotension remains high after intravenous preventive use of phenylephrine. However, few studies have investigated the effect of preventive intramuscular phenylephrine via a longer period of usage on fetal and maternal outcomes. METHODS: A total of 99 healthy parturients undergoing elective cesarean delivery were randomly allocated into three groups: M group (preventive intramuscular use of 5 mg phenylephrine), V group (preventive intravenous use of 100 µg phenylephrine), and P group (0.9% normal saline placebo). Rescue phenylephrine, ephedrine and atropine were used intraoperatively to adjust blood pressure and heart rate. The primary outcome was umbilical artery pH. RESULTS: Significant differences in umbilical artery pH (M group: 7.32 ±â€¯0.05 versus V group: 7.25 ±â€¯0.04 versus P group: 7.21 ±â€¯0.03, P < 0.05), fetal acidosis (M group: 3% [n = 33] versus V group: 15% [n = 33] versus P group: 30% [n = 33], P = 0.01) and maternal intraoperative hypotension (M group: 12% [33] versus V group: 39% [33] versus P group: 73% [33], P < 0.0001) were identified among the groups. Multiple linear regression analysis demonstrated that treating arms, neonatal birthweight and the interval from the end of anesthesia to baby delivery were associated with umbilical artery pH. CONCLUSION: Compared with the preventive intravenous use of phenylephrine and placebo, preventive intramuscular phenylephrine exhibited a better neonatal acid-base status and more stable maternal hemodynamics in elective cesarean under spinal anesthesia.


Assuntos
Anestesia Obstétrica/efeitos adversos , Raquianestesia/efeitos adversos , Cesárea/métodos , Hipotensão/prevenção & controle , Fenilefrina/administração & dosagem , Vasoconstritores/administração & dosagem , Adulto , Anestesia Obstétrica/métodos , Pressão Sanguínea/efeitos dos fármacos , Método Duplo-Cego , Procedimentos Cirúrgicos Eletivos , Efedrina/uso terapêutico , Feminino , Frequência Cardíaca/efeitos dos fármacos , Hemodinâmica/efeitos dos fármacos , Humanos , Concentração de Íons de Hidrogênio/efeitos dos fármacos , Hipotensão/etiologia , Recém-Nascido , Injeções Intramusculares , Injeções Intravenosas , Complicações Intraoperatórias/prevenção & controle , Fenilefrina/farmacologia , Fenilefrina/uso terapêutico , Gravidez , Resultado da Gravidez , Artérias Umbilicais/metabolismo , Vasoconstritores/farmacologia , Vasoconstritores/uso terapêutico
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