Machine learning can be used to predict the properties of polymers and explore vast chemical spaces. However, the limited number of available experimental datasets hinders the enhancement of the predictive performance of a model. This study proposes a machine learning approach that leverages transfer learning and ensemble modeling to efficiently predict the glass transition temperature (T) of fluorinated polymers and guide the design of high T copolymers.
View Article and Find Full Text PDFACS Appl Mater Interfaces
October 2021
The natural abundance of magnesium together with its high volumetric energy capacity and less-dendritic anodes makes Mg-ion batteries an appealing alternative to the widely used Li-ion batteries. However, Mg cathode materials under current investigation suffer from various shortcomings such as low operation voltage and high energy barrier for ion migration, resulting in poor battery performance. Here, we propose a garnet-type intercalation cathode active material, MgSi(MoO), for high-performance Mg-ion batteries.
View Article and Find Full Text PDFBlack phosphorus (BP) has drawn enormous attention for both intriguing material characteristics and electronic and optoelectronic applications. In spite of excellent advantages for semiconductor device applications, the performance of BP devices is hampered by the formation of phosphorus oxide on the BP surface under ambient conditions. It is thus necessary to resolve the oxygen-induced degradation on the surface of BP to recover the characteristics and stability of the devices.
View Article and Find Full Text PDFJ Nanosci Nanotechnol
November 2015
We theoretically analyzed proton conductivity at the σ3 tilt grain boundary (GB) of barium cerate using density functional theory. Two types of positively charged defects, a proton and an oxygen vacancy, were segregated at the GB with segregation energies in the range of -0.36(-) -0.
View Article and Find Full Text PDFJ Nanosci Nanotechnol
October 2014
We studied the interaction of di-isopropylaminosilane (SiH3N(C3H7)2, DIPAS) molecules with a fully hydroxyl-terminated Si (001) surface for SiO2 thin-film growth by using density functional theory. The amino group consisting of DIPAS was chosen in order to obtain a high adsorption energy because its lone-pair electrons in the N atom would help in the adsorption of DIPAS. The absolute value of the adsorption energy (0.
View Article and Find Full Text PDFBackground: Recently low dose organochlorine (OC) pesticides have been strongly linked to various chronic diseases including diabetes and cardiovascular diseases. Both field and animal studies have suggested a possibility that persistent lipophilic chemicals like OC pesticides can cause vitamin D deficiency, but there have been no human studies of exposure to any chemical as a possible cause of vitamin D deficiency. This study was performed to examine if serum concentrations of OC pesticides were associated with serum concentrations of 25-hydroxyvitamin D (25(OH)D) in the U.
View Article and Find Full Text PDFObjectives: This study was performed to examine the factors affecting re-smoking in male workers.
Methods: A self-administrated questionnaire survey was conducted during April 2003 to examine the smoking state of 1,154 employees of a company that launched a smoking cessation campaign in 1998. Five hundred and eighty seven persons, who had stopped smoking for at least one week, were selected as the final study subjects.
J Prev Med Public Health
February 2005
Objectives: We conducted this study to examine the association between serum GGT levels within the normal range and the risk factors of cardiovascular diseases
Methods: We examined the cross-sectional association between serum GGT and the systolic and diastolic blood pressure, fasting blood glucose, total cholesterol, triglyceride, high density lipoprotein cholesterol (HDL-cholesterol), and uric acid among 975 subjects that participated in the health examination of a university hospital located in Daegu city. All the patients' GGT levels were within the normal range.
Results: After adjustment were made for age, body mass index (BMI), smoking status, drinking frequency, exercise frequency and coffee intake, the serum GGT level was positively associated with fasting blood glucose (p < 0.
A series of studies in black and white women and men have suggested that serum gamma-glutamyltransferase (GGT) within its normal range might be an early marker of oxidative stress. If serum GGT is a marker of oxidative stress, it might have important implications both clinically and epidemiologically because measurement of serum GGT is easy, reliable, and not expensive. We examined the cross-sectional association between deciles of serum GGT and concentrations of serum antioxidants among 9083 adult participants in the third U.
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