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1.
Angew Chem Int Ed Engl ; 63(28): e202403607, 2024 Jul 08.
Artigo em Inglês | MEDLINE | ID: mdl-38659136

RESUMO

Alkaline zinc-ferricyanide flow batteries are efficiency and economical as energy storage solutions. However, they suffer from low energy density and short calendar life. The strongly alkaline conditions (3 mol L-1 OH-) reduce the solubility of ferri/ferro-cyanide (normally only 0.4 mol L-1 at 25 °C) and induce the formation of zinc dendrites at the anode. Here, we report a new zinc-ferricyanide flow battery based on a mild alkalescent (pH 12) electrolyte. Using a chelating agent to rearrange ferri/ferro-cyanide ion-solvent interactions and improve salt dissociation, we increased the solubility of ferri/ferro-cyanide to 1.7 mol L-1 and prevented zinc dendrites. Our battery has an energy density of ~74 Wh L-1 catholyte at 60 °C and remains stable for 1800 cycles (1800 hours) at 0 °C and for >1400 cycles (2300 hours) at 25 °C. An alkalescent zinc-ferricyanide cell stack built using this alkalescent electrolyte stably delivers 608 W of power for ~40 days.

2.
Bioorg Chem ; 141: 106894, 2023 12.
Artigo em Inglês | MEDLINE | ID: mdl-37776682

RESUMO

Utilizing artificial intelligence (AI) in drug design represents an advanced approach for identifying targets and developing new drugs. Integrating AI techniques significantly reduces the workload involved in drug development and enhances the efficiency of early-stage drug discovery. This review aims to present a comprehensive overview of the utilization of AI methods in the field of small drug design, with a specific focus on four key areas: protein structure prediction, molecular virtual screening, molecular design, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction. Additionally, the role and limitations of AI in drug development are explored, and the impact of AI on decision-making processes is studied. It is important to note that while AI can bring numerous benefits to the early stage of drug development, the direction and quality of decision-making should still be emphasized, as AI should be considered as a tool rather than a decisive factor.


Assuntos
Inteligência Artificial , Descoberta de Drogas , Descoberta de Drogas/métodos , Desenho de Fármacos , Desenvolvimento de Medicamentos
3.
Adv Mater ; 35(7): e2209390, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36444512

RESUMO

Achieving net-zero emissions requires low-cost and reliable energy storage devices that are essential to deploy renewables. Alkaline zinc-based flow batteries such as alkaline zinc-iron (or nickel) flow batteries are well suited for energy storage because of their high safety, high efficiency, and low cost. Nevertheless, their energy density is limited by the low solubility of ferro/ferricyanide and the limited areal capacity of sintered nickel electrodes. Here, combining the electrochemical reaction with the chemical reaction of ferro/ferricyanide couple in a homemade nickel electrode, an alkaline zinc-iron/nickel hybrid flow battery with a high energy density of 208.9 Wh L-1 and an energy efficiency of 84.7% at a high current density of 80 mA cm-2 is reported. The reversible chemical reactions between dual couples are proven to stabilize the nickel electrode by promoting the activation of the nickel electrode and further preventing the formation of γ-NiOOH. A kW-scale stack is demonstrated by the integration of ferro/ferricyanide couple with nickel electrode, delivering a coulombic efficiency of 98% and an energy efficiency of 89% at 40 mA cm-2 . This work demonstrates a promising pathway for constructing and upscaling flow batteries with high energy density and low cost.

4.
Nutrients ; 15(9)2023 May 04.
Artigo em Inglês | MEDLINE | ID: mdl-37432361

RESUMO

Several studies have demonstrated that adhering to the Dietary Approaches to Stop Hypertension (DASH) diet may result in decreased blood pressure levels and hypertension risk. This may be an effect of a reduction in central obesity. In the current study, we explored the mediation role of multiple anthropometric measurements in association with DASH score and hypertension risk, and we investigated potential common micro/macro nutrients that react with the obesity-reduction mechanism. Our study used data from the National Health and Nutrition Examination Survey (NHANES). Important demographic variables, such as gender, race, age, marital status, education attainment, poverty income ratio, and lifestyle habits such as smoking, alcohol drinking, and physical activity were collected. Various anthropometric measurements, including weight, waist circumference, body mass index (BMI), and waist-to-height ratio (WHtR) were also obtained from the official website. The nutrient intake of 8224 adults was quantified through a combination of interviews and laboratory tests. We conducted stepwise regression to filter the most important anthropometric measurements and performed a multiple mediation analysis to test whether the selected anthropometric measurements had mediation effects on the total effect of the DASH diet on hypertension. Random forest models were conducted to identify nutrient subsets associated with the DASH score and anthropometric measurements. Finally, associations between common nutrients and DASH score, anthropometric measurements, and risk of hypertension were respectively evaluated by a logistic regression model adjusting for possible confounders. Our study revealed that BMI and WHtR acted as full mediators between DASH score and high blood pressure levels. Together, they accounted for more than 45% of the variation in hypertension. Interestingly, WHtR was found to be the strongest mediator, explaining approximate 80% of the mediating effect. Furthermore, we identified a group of three commonly consumed nutrients (sodium, potassium, and octadecatrienoic acid) that had opposing effects on DASH score and anthropometric measurements. These nutrients were also found to be associated with hypertension in the same way as BMI and WHtR in univariate regression models. The most important among these nutrients was sodium, which was negatively correlated with the DASH score (ß = -0.53, 95% CI = -0.56~-0.50, p < 0.001) and had a positive association with BMI (ß = 0.04, 95% CI = 0.01~0.07, p = 0.02), WHtR (ß = 0.06, 95% CI = 0.03~0.09, p < 0.001), and hypertension (OR = 1.09, 95% CI = 1.01~1.19, p = 0.037). Our investigation revealed that the WHtR exerts a greater mediating effect than BMI on the correlation between the DASH diet and hypertension. Notably, we identified a plausible nutrient intake pathway involving sodium, potassium, and octadecatrienoic acid. Our findings suggested that lifestyle modifications that emphasize the reduction of central obesity and the attainment of a well-balanced micro/macro nutrient profile, such as the DASH diet, could potentially be efficacious in managing hypertension.


Assuntos
Abordagens Dietéticas para Conter a Hipertensão , Hipertensão , Adulto , Humanos , Inquéritos Nutricionais , Obesidade Abdominal/epidemiologia , Dieta , Ingestão de Alimentos , Hipertensão/epidemiologia , Obesidade/epidemiologia , Sódio
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