J Chem Theory Comput
March 2025
We develop a multithreaded parallel coordinate descent full configuration interaction algorithm (mCDFCI) for the electronic structure ground-state calculation in the configuration interaction framework. The FCI problem is reformulated as an unconstrained minimization problem and tackled by a modified block coordinate descent method with a deterministic compression strategy. mCDFCI is designed to prioritize determinants based on their importance, with block updates enabling efficient parallelization on shared-memory, multicore computing infrastructure.
View Article and Find Full Text PDFThe rheological behavior and printing characteristics of the screen-printing slurry for Nd-Fe-B grain boundary diffusion are key factors that determine the quality of printing and magnetic performance. However, few studies have focused on the organic medium, a crucial material for slurry. In this paper, the rheology, thixotropy, and thermal decomposition behavior of the organic vehicle in Nd-Fe-B screen printing slurry were studied.
View Article and Find Full Text PDFWith the increasing demand for innovative electronic products, LED transparent screens are gradually entering the public eye. Polyimide (PI) materials combine high temperature resistance and high transparency, which can be used to prepare flexible copper-clad laminate substrates. The physical and chemical properties of PI materials differ from copper, such as their thermal expansion coefficients (CTEs), surface energy, etc.
View Article and Find Full Text PDFThe objective of this study was to investigate the prevalence of vitamin D deficiency or insufficiency and its association with inflammatory markers and type 2 diabetes. We conducted our research at Qingdao Endocrine and Diabetes Hospital, where serum 25-hydroxyvitamin D3 levels were determined for 2,806 individuals with type 2 diabetes aged 30 and older between January 2018 and December 2019. Medical records were analyzed, and data on health, blood lipids, HbA1c, and inflammation were collected.
View Article and Find Full Text PDFPolymer materials with a low dielectric constant and low dielectric loss have the potential to be applied to high-frequency signal transmissions, such as mobile phone antennas and millimeter wave radars. Two types of diamines, 4,4'-diamino-p-tetraphenyl (DPT) and crown ether diamine (CED), were prepared for ternary copolymerization with BPDA in this study. Cross-links with molecular chains were formed, increasing molecular chain distance by utilizing rings of CED.
View Article and Find Full Text PDFEnviron Sci Pollut Res Int
January 2024
2,4-Dichlorophenol (2,4-DCP) is difficult to degrade rapidly in the environment due to its stable chemical properties, so it was easy to lead to serious chlorophenol pollution in soil. Consequently, a remediation method which is efficient, safe, and economical is required. In this study, electrokinetic (EK) remediation was used to transfer sodium persulfate (NaSO) into soil to degrade 2,4-DCP, and the effect of several factors (including the addition location of NaSO, applied voltage, and running time) on the remediation efficiency was explored.
View Article and Find Full Text PDFBackground/objectives: This study examined the relationship between famine exposure in early life and the risk of type 2 diabetes in adulthood during the 1959-1961 Chinese Famine.
Subjects/methods: A total of 3,418 individuals aged 35-74 years free of diabetes from two studies in 2006 and 2009 were followed up prospectively in 2009 and 2012, respectively. Famine exposure was classified as unexposed (individuals born in 1962-1978), fetal exposed (individuals born in 1959-1961), child exposed (individuals born in 1949-1958), and adolescent/adult exposed (born in 1931-1948).
Large training datasets are important for deep learning-based methods. For medical image segmentation, it could be however difficult to obtain large number of labeled training images solely from one center. Distributed learning, such as swarm learning, has the potential to use multi-center data without breaching data privacy.
View Article and Find Full Text PDFAims: To demonstrate the noninferiority of alogliptin to acarbose, in terms of antidiabetic efficacy, in Chinese people with uncontrolled type 2 diabetes (T2D) and high cardiovascular risk.
Materials And Methods: ACADEMIC (NCT03794336) was a randomized, open-label, phase IV study conducted at 46 sites in China. Antidiabetic treatment-naive or metformin-treated adults with uncontrolled T2D (glycated haemoglobin [HbA1c] 58.
By applying the locally optimal rotation method to deal with the lowest eigenvalue of a Hessian matrix, we have efficiently incorporated the hyperdynamics method into the ab initio scheme. In the present method, we only need to calculate the first derivative of the potential and several more force calls in each molecular dynamics (MD) step, which makes hyperdynamics simulation applicable in ab initio MD simulations. With this implementation, we are able to simulate defect diffusion in silicon with boost factors up to 10.
View Article and Find Full Text PDFBackground And Objectives: To evaluate the association between anthropometric parameter of obesity and newly diagnosed hyperuricemia (HUA) in a general Chinese population.
Methods And Study Design: A population- based cross-sectional survey included 9 615 participants (3777 men and 5838 women) aged 35-74 years in 2006 and 2009 in Qingdao, China. The multivariate linear regression was used to assess the linear associations between anthropometric parameter of obesity [body mass index (BMI), waist circumference (WC), waist-to-hip ratio (WHR)] and serum uric acid.
Introduction: Comparisons between brand and biosimilar basal insulin in hospitalized patients are lacking. We aimed to compare the efficacy and safety of brand insulin glargine vs. biosimilar insulin glargine in non-critical hospitalized patients with type 2 diabetes mellitus (T2DM).
View Article and Find Full Text PDFA high catalytic system using Cu layered double hydrotalcite (Cu(II)-Mg(II)-Fe(III)LDHs) and hydrogen peroxide (HO) was developed for the degradation of ethylbenzene. It was identified that the degradation efficiency of ethylbenzene (0.08 mmol L) and TOC removal were 96.
View Article and Find Full Text PDFTextual information embedded in the medical image contains rich structured information about the medical condition of a patient. This paper aims at extracting structured textual information from semi-structured medical images. Given the recognized text spans of an image preprocessed by optical character recognition (OCR), due to the spatial discontinuity of texts spans as well as potential errors brought by OCR, the structured information extraction becomes more challenging.
View Article and Find Full Text PDFIntroduction: We explored the impact of a temporary tobacco-free public policy for the 2008 Summer Olympics on the smoking prevalence and secondhand smoke exposure among the population of a co-hosting city, Qingdao, China.
Methods: The Qingdao Diabetes Survey was analyzed for 2006 (n = 4599) and 2009 (n = 4680), which are survey years before and after the tobacco-free Olympics public policy period (July 2007 to January 2009). We analyzed the differences in self-reported smoking prevalence and exposure to secondhand smoke at home and/or workplace, and compared odds of smoking by survey year and of exposure to secondhand smoke among nonsmokers.
This study investigated the effectiveness and safety of switching from Basalin® to Lantus® in Chinese patients with diabetes mellitus (DM). A retrospective chart review conducted using the electronic medical records of patients hospitalized at the Qingdao Endocrine and Diabetes Hospital from 2005 to 2016. All patients were diagnosed with DM and underwent switching of insulin from Basalin to Lantus during hospitalization.
View Article and Find Full Text PDFBackground: Data describing epidemiology, clinical outcomes and treatment patterns, of hospitalised patients with pneumonia in China are limited. We aimed to describe such information among adult pneumonia patients in southern and northern China.
Methods: We retrospectively reviewed electronic medical records of pneumonia patients aged ≥18 years, hospitalized between 2008 and 2013 at Guangdong Provincial Hospital of Chinese Medicine (n=3,636), southern China, and between 2010 and 2014 at Peking University People's Hospital, Beijing (n=1,689), northern China, in order to collect data on patient demographics, microbiology, clinical outcomes and treatment and resistance patterns.
Urinary tract infections (UTIs) are common nosocomial infections. This study evaluated the prevalence, pathogens, antibiotic resistances, clinical outcomes, and hospitalization costs associated with complicated UTIs in southern China, and risk factors delaying patient discharge. We retrospectively reviewed electronic medical records of 4,284 (61.
View Article and Find Full Text PDFCuMgFe layered double hydroxide (CuMgFe-LDH) was successfully synthesized and characterized as an efficient catalyst of persulfate (PS) for the degradation of ethylbenzene. Under the conditions of 0.2gL CuMgFe-LDH and 4.
View Article and Find Full Text PDFAims: To estimate the long-term cost-effectiveness of exenatide twice daily vs insulin glargine once daily as add-on therapy to oral antidiabetic agents (OADs) for Chinese patients with type 2 diabetes (T2DM).
Methods: The Cardiff Diabetes Model was used to simulate disease progression and estimate the long-term effects of exenatide twice daily vs insulin glargine once daily. Patient profiles and treatment effects required for the model were obtained from literature reviews (English and Chinese databases) and from a meta-analysis of 8 randomized controlled trials comparing exenatide twice daily with insulin glargine once daily add-on to OADs for T2DM in China.
Background And Objectives: Fruit, vegetable, seafood, and dairy intake may reduce the risk of type 2 diabetes, but this relationship is unclear. We aimed to examine the associations between fruit, vegetable, seafood, and dairy intake and type 2 diabetes prevalence in a Chinese population.
Methods And Study Design: A total of 4,343 individuals aged 35-74 years participated in a population-based cross-sectional study in Qingdao, China.
Rev Sci Instrum
December 2016
The rotational accuracy of a machine tool spindle has critical influence upon the geometric shape and surface roughness of finished workpiece. The rotational performance of the rolling element bearings is a main factor which affects the spindle accuracy, especially in the ultra-precision machining. In this paper, a new method is developed to measure the rotational accuracy of rolling element bearings of machine tool spindles.
View Article and Find Full Text PDFObjective: To study the clinical characteristics related to metabolic disorders and complications in type 2 diabetes mellitus patients hospitalized in the Qingdao Endocrine and Diabetes Hospital from 2006 to 2012 in Qingdao, China.
Patient Population And Methods: Data from 14,289 (51% males) type 2 diabetes mellitus patients hospitalized between 2006 and 2012 were collected and analysed. Information on patients' demographic, anthropometric, laboratory and disease histories were extracted from electronic medical records.
The incidence of all cancers in China is generally higher in urban areas; however, the mortality risk for affected patients is considerably higher in rural areas. We present a subanalysis investigating the differences in patient and disease characteristics, treatment patterns, and outcomes between rural and urban patients who were diagnosed with breast cancer at West China Hospital between 2005-2009. Baseline patient and disease characteristics were recorded, and patients were followed up for a minimum of 3 years, or until death.
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