Ab initio Quantum Simulation of Strongly Correlated Materials with Quantum Embedding

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules, ab initio simulation of solid-state materials on quantum computers is still in its early stage, mostly owing to the fact that the system size quickly becomes prohibitively large when approaching the thermodynamic limit. In this work, we introduce an orbital-based multi-fragment approach on top of the periodic density matrix embedding theory, resulting in a significantly smaller problem size for the current near-term quantum computer. We demonstrate the accuracy and efficiency of our method compared with the conventional methodologies and experiments on solid-state systems with complex electronic structures. These include spin polarized states of a hydrogen chain (1D-H), the equation of states of a boron nitride layer (h-BN) as well as the magnetic ordering in nickel oxide (NiO), a prototypical strongly correlated solid. Our results suggest that quantum embedding combined with a chemically intuitive fragmentation can greatly advance quantum simulation of realistic materials, thereby paving the way for solving important yet classically hard industrial problems on near-term quantum devices.Comment: 14 pages, 5 figures, and 3 table

Investigation of possible epistatic interactions between GRIA2 and GRIA4 variants on clinical outcomes in patients with major depressive disorder

Abstract OBJECTIVES: To investigate the effects of glutamate receptor, ionotropic, alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionate (AMPA) 2 (GRIA2) rs4260586 and glutamate receptor, ionotropic, AMPA 4 (GRIA4) rs10736648 single nucleotide polymorphisms (SNPs) on response to antidepressants in Korean patients with major depressive disorder (MDD), and to ascertain whether epistatic interactions might exist between these SNPs. METHODS: In this retrospective analysis, patients were assessed at hospital admission and discharge using the Montgomery-Åsberg depression rating scale (MADRS). A multiple regression model was employed to investigate the effects of the two SNP variants on clinical/sociodemographic outcomes relating to MDD. RESULTS: Out of 145 Korean patients, the presence of both GRIA2 rs4260586 and GRIA4 rs10736648 polymorphisms had no significant association with MADRS improvement scores or other clinical/sociodemographic variables. CONCLUSIONS: These data potentially suggest a lack of epistatic interaction between GRIA2 and GRIA4 variants, regarding clinical outcomes in patients with MDD. The study was limited by small sample size, use of different antidepressants and incomplete coverage of genes under investigation. Future research should include larger patient samples treated with different antidepressants, analysis of different SNPs and/or investigation of different gene-gene interactions within the glutamatergic system. KEYWORDS: AMPA 2 (GRIA2), AMPA 4 (GRIA4), Glutamate receptor, epistasis, glutamate receptor, glutamatergic, ionotropic, major depression, single nucleotide polymorphis

Genome-wide association study of antidepressant response: involvement of the inorganic cation transmembrane transporter activity pathway

Description and statistics referred to the SNPs that showed p<0.05 (response phenotype) in both the analyzed samples. (DOC 157 kb

DAOA Variants on Diagnosis and Response to Treatment in Patients with Major Depressive Disorder and Bipolar Disorder

OBJECTIVE: This study investigated whether selected D-amino acid oxidase activator ( DAOA) gene single nucleotide polymorphisms (SNPs; rs3916966, rs3916967, rs2391191, rs3916968, rs7139958, rs9558571, rs778293) are associated with major depressive disorder (MDD) and bipolar disorder (BD), and whether they can predict clinical outcomes in Korean in-patients treated with antidepressants and mood stabilizers, respectively. METHODS: In total, 145 patients with MDD, 132 patients with BD and 170 psychiatrically healthy controls were genotyped for the DAOA SNPs. Baseline and final clinical assessments included the Montgomery—Asberg Depression Rating Scale and Young Mania Rating Scale for patients with MDD and BD, respectively. RESULTS: There was no association between DAOA SNP genotypes or alleles with diagnosis, clinical improvement, response rates or remission rates for MDD and BD. Haplotype analyses found no association with MDD or BD diagnosis or clinical outcomes. CONCLUSIONS: The findings suggest that the DAOA SNPs investigated may not affect MDD or BD phenotype, clinical symptoms or other clinical factors, and are unlikely to be involved in MDD or BD development and treatment outcomes. Given the study's limitations, further investigation should be carried out

Antidepressant-induced mania in panic disorder: a single-case study of clinical and functional connectivity characteristics

BackgroundMental health issues, including panic disorder (PD), are prevalent and often co-occur with anxiety and bipolar disorders. While panic disorder is characterized by unexpected panic attacks, and its treatment often involves antidepressants, there is a 20–40% risk of inducing mania (antidepressant-induced mania) during treatment, making it crucial to understand mania risk factors. However, research on clinical and neurological characteristics of patients with anxiety disorders who develop mania is limited.MethodsIn this single case study, we conducted a larger prospective study on panic disorder, comparing baseline data between one patient who developed mania (PD-manic) and others who did not (PD-NM group). We enrolled 27 patients with panic disorder and 30 healthy controls (HCs) and examined alterations in amygdala-based brain connectivity using a seed-based whole-brain approach. We also performed exploratory comparisons with healthy controls using ROI-to-ROI analyses and conducted statistical inferences at a threshold of cluster-level family-wise error-corrected p &lt; 0.05, with the cluster-forming threshold at the voxel level of uncorrected p &lt; 0.001.ResultsThe patient with PD-mania showed lower connectivity in brain regions related to the default mode network (left precuneous cortex, maximum z-value within the cluster = −6.99) and frontoparietal network (right middle frontal gyrus, maximum z-value within the cluster = −7.38; two regions in left supramarginal gyrus, maximum z-value within the cluster = −5.02 and −5.86), and higher in brain regions associated with visual processing network (right lingual gyrus, maximum z-value within the cluster = 7.86; right lateral occipital cortex, maximum z-value within the cluster = 8.09; right medial temporal gyrus, maximum z-value within the cluster = 8.16) in the patient with PD-mania compared to the PD-NM group. One significantly identified cluster, the left medial temporal gyrus (maximum z-value within the cluster = 5.82), presented higher resting-state functional connectivity with the right amygdala. Additionally, ROI-to-ROI analysis revealed that significant clusters between PD-manic and PD-NM groups differed from HCs in the PD-manic group but not in the PD-NM group.ConclusionHere, we demonstrate altered amygdala-DMN and amygdala-FPN connectivity in the PD-manic patient, as reported in bipolar disorder (hypo) manic episodes. Our study suggests that amygdala-based resting-state functional connectivity could serve as a potential biomarker for antidepressant-induced mania in panic disorder patients. Our findings provide an advance in understanding the neurological basis of antidepressant-induced mania, but further research with larger cohorts and more cases is necessary for a broader perspective on this issue

No difference in stroke knowledge between Korean adherents to traditional and western medicine – the AGE study: an epidemiological study

BACKGROUND: Effective stroke intervention and risk reduction depend on the general public's awareness and knowledge of stroke. In Korea, where both traditional Oriental medicine and Western medicine are practiced, estimates of the general public's awareness and knowledge of stroke are poor. The present study sought to describe the inception cohort of the Ansan Geriatric Study (AGE study) and to determine baseline stroke awareness and preferred medical treatment for stroke in this Korean sample. METHODS: A total of 2,767 subjects selected randomly from the Ansan Geriatric Study in South Korea were questioned about stroke. Their answers were compared with their sociodemographic data and other variables. RESULTS: Only 44.8% of participants correctly identified stroke as a vascular disease in the human brain. Sudden numbness or weakness was the most frequently identified stroke warning sign (60.2%). Hypertension (66.7%) and mental stress (62.2%) were most frequently identified as stroke risk factors. The contributions of diabetes mellitus and cardiovascular disease to stroke were underestimated; they were identified as risk factors by 28.3% and 18.6% of participants, respectively. The predictors for poor knowledge of stroke warning signs and risk factors were similar irrespective of preference for Western or Oriental medical treatment, and included those with lower levels of education and inaccurate definition of stroke. Television and radio (40.3%) were the most frequent sources of stroke information for both groups. CONCLUSION: This study shows that knowledge of stroke is similar among Koreans with preferences for either Western or Oriental medical treatment and that misunderstandings about stroke are common among the Korean elderly. In order to prevent and manage stroke effectively, public health education regarding basic concepts of stroke is necessary. This should target those with a lower level of education and a misunderstanding of the definition of stroke

Assessment of the Type D Personality Construct in the Korean Population: A Validation Study of the Korean DS14

This study aimed to develop a Korean version of the Type D Personality Scale-14 (DS14) and evaluate the psychiatric symptomatology of Korean cardiac patients with Type D personality. Healthy control (n = 954), patients with a coronary heart disease (n = 111) and patients with hypertension and no heart disease (n = 292) were recruited. All three groups completed DS14, the Eysenck Personality Questionnaire (EPQ), the state subscale of Spielberger State and Trait Anxiety Inventory (STAI-S), the Center for Epidemiologic Studies Short Depression Scale (CESD), and the General Health Questionnaire (GHQ). The Korean DS14 was internally consistent and stable over time. 27% of the subjects were classified as Type D. Type D individuals had significantly higher mean scores on the STAI-S, CESD, and GHQ compared to non-Type D subjects in each group. The Korean DS14 was a valid and reliable tool for identifying Type D personality. The general population and cardiovascular patients with Type D personality showed higher rate of depression, anxiety and psychological distress regarding their health. Therefore, identifying Type D personality is important in clinical research and practice in chronic medical disorders, especially cardiovascular disease, in Korea

Morbidity and related factors among elderly people in South Korea: results from the Ansan Geriatric (AGE) cohort study

BACKGROUND: A thorough examination of the morbidity and comorbidity profiles among the elderly and an evaluation of the related factors are required to improve the delivery of health care to the elderly and to estimate the cost of that care. In South Korea where the aged population is rapidly increasing, however, to date only one study using a limited sample (84 subjects) has provided information on morbidity and related factors among the elderly. Using a large, stratified, random sample (2,767 subjects) from the population-based Ansan Geriatric study, the present study sought to assess the morbidity and comorbidity, and to determine the relationships of these variables with sociodemographic and health characteristics in elderly people in South Korea. METHODS: A total of 2,767 subjects (1,215 men and 1,552 women) aged 60–84 years were randomly selected from September 2002 to August 2003 in Ansan, South Korea. Data on sociodemographic and health characteristics, and clinical diagnosis were collected using questionnaires. When available, the medical records and medications taken by the subjects were also cross-checked. RESULTS: Of the total subjects, 78.0% reported diagnosed disease, 11.0% had been cured, and 46.8% had been diagnosed with more than two diseases. The mean number of morbidities per person among elderly Koreans was 1.62 ± 1.35 (mean ± standard deviation), and women had a greater number of diseases per person than did men. The most common morbidities were chronic diseases such as hypertension, arthritis, and diabetes mellitus. In women, osteoporosis and arthritis were the second and third most prevalent diseases, respectively. Morbidity was significantly associated with gender, employment, household income, alcohol intake, self-assessed health status, and worries about health. CONCLUSION: These data will enhance understanding of the patterns of health problems among elderly Koreans and will contribute to the application of appropriate intervention strategies

Study design and methods of the Ansan Geriatric Study (AGE study)

<p>Abstract</p> <p>Background</p> <p>The overall objective of the Ansan Geriatric Study (AGE study) was to describe the prevalence, incidence, and related risk factors for geriatric diseases in elderly Koreans.</p> <p>Methods/Design</p> <p>The AGE study was designed as a population-based prospective cohort study on health, aging, and common geriatric diseases of elderly Koreans aged 60 to 84 years. The inception cohort was recruited in May 2002. The first-wave and second-wave studies were performed using uniform and structured procedures. At the screening study, 2,767 participants were enrolled. Participants (1391 in the first wave study and 841 in the second wave study) were recruited and completed the evaluation. The prevalence of geriatric disease and related factors in elderly Koreans were estimated.</p> <p>Discussion</p> <p>Here, we report the design and sampling participants, measurement tools, and characteristics of the AGE study. This cohort study will allow a detailed study of the longitudinal comprehensive data on health information of elderly Koreans, thereby contributing to policy formulation and planning of health, welfare management, and other social services in Korea.</p