Miracle-dz/UniFAR-FTUs huggingface dataset:
Ultra-fast Dynamics of Small Molecules in Strong Fields

Title of dissertation: ULTRA-FAST DYNAMICS OF SMALL MOLECULES IN STRONG FIELDS Kun Zhao, Doctor of Philosophy, 2006 Dissertation directed by: Professor Wendell T. Hill, III Institute for Physical Science and Technology & Department of Physics Correlation detection techniques (image labeling, coincidence imaging, and joint variance) are developed with an image spectrometer that is capable of collecting charges ejected over 4π sr and a digital camera that can be synchronized with the laser repetition rate at up to 735 Hz. With these techniques, molecular decay channels ejecting atomic fragment ions with different momenta (energies) can be isolated; thus the initial molecular configurations (bond lengths and/or bond angles) and orientations as well as their distributions can be extracted. These techniques are applied to study strong-field induced dynamics of diatomic and triatomic molecules. Specific studies included the measurement of (1) the Coulomb explosion energy as a function of bond angle in linear (CO2) and bent (NO2) triatomics and (2) the ejection anisotropy relative to the laser polarization axis during Coulomb explosions in both triatomic (CO2 and NO2) and diatomic (H2, N2 and O2) systems. All the experiments were performed with 100 fs, 800 nm laser pulses focused to intensities of 0.1 ∼ 5.0 × 10 W/cm. The explosion energy of NO2 decreases monotonically by more than 25% from the smallest to the largest bond angles. By contrast, the CO2 explosion energies are nearly independent of bond angle. The enhanced ionization and static screening models in two-dimension with three charge centers were developed to simulate the explosion energies as a function of bond angle. The predictions of both models are consistent with the measurements of CO2 and NO2. At the same time, the observed explosion signals as a function of bond angle for both CO2 and NO2 show largeamplitude vibrations. The peaks of the explosion signal distributions for both CO2 and NO2 appear near the equilibrium bond angles of the neutral systems. The ejection angular distributions in triatomic (CO2 and NO2) and diatomic (H2, N2, and O2) Coulomb explosions were measured; the contribution made to the ejection anisotropy by geometric and dynamic alignment was studied by comparing the images obtained with linearly and circularly polarized fields. Different angular distributions of the molecules are consistent with different ionization stages, induced dipole moments and rotational constants. A narrower distribution of H2 than other diatomics is confirmed by its nearly complete dynamic alignment in the field. The results also show that the large dynamic alignment in the linear triatomic CO2 is consistent with the fact that more electrons have been removed and the precursor molecular ion spends more time in the field prior to the explosion than diatomic systems such as N2 and O2. ULTRA-FAST DYNAMICS OF SMALL MOLECULES IN STRONG FIELDS
Trends in smoking prevalence in urban and rural China, 2007 to 2018: Findings from 5 consecutive nationally representative cross-sectional surveys

Background Tobacco smoking is a leading cause of premature death in China, especially among adult men. Since the implementation of the Framework Convention on Tobacco Control in 2005, nationwide tobacco control has been strengthened, but its long-term impact on smoking prevalence is unclear. Methods and findings Five nationally representative surveys of the China Chronic Disease and Risk Factor Surveillance (CCDRFS) were conducted in 2007, 2010, 2013, 2015, and 2018. A total of 624,568 adults (278,605 men and 345,963 women) aged 18 to 69 years were randomly selected from 31 provinces (or equivalent) in China. Temporal changes in smoking prevalence and patterns (e.g., percentages of those smoking manufactured cigarettes, amount smoked, and age at smoking initiation) were analyzed, overall and by sex, urban or rural residence, year of birth, education and occupation, using linear regression methods. Among men, the standardized prevalence of current smoking decreased from 58.4% (95% confidence interval [CI]: 56.1 to 60.7) to 50.8% (95% CI: 49.1 to 52.5, p < 0.001) between 2007 and 2018, with annual decrease more pronounced in urban (55.7% [95% CI: 51.2 to 60.3] to 46.3% [95% CI: 43.7 to 49.0], p < 0.001) than rural men (59.9% [95% CI: 57.5 to 62.4] to 54.6% [95% CI: 52.6 to 56.6], p = 0.05) and in those born before than after 1980. Among rural men born after 1990, however, the prevalence increased from 40.2% [95% CI: 34.0 to 46.4] to 52.1% ([95% CI: 45.7 to 58.5], p = 0.007), with the increase taking place mainly before 2015. Among women, smoking prevalence remained extremely low at around 2% during 2007 to 2018. No significant changes of current smoking prevalence (53.9% to 50.8%, p = 0.22) were observed in male patients with at least 1 of major chronic diseases (e.g., hypertension, diabetes, myocardial infarction, stroke, chronic obstructive pulmonary disease (COPD)). In 2018, 25.6% of adults aged ≥18 years smoked, translating into an estimated 282 million smokers (271 million men and 11 million women) in China. Across 31 provinces, smoking prevalence varied greatly. The 3 provinces (Yunnan, Guizhou, and Hunan) with highest per capita tobacco production had highest smoking prevalence in men (68.0%, 63.4%, and 61.5%, respectively), while lowest prevalence was observed in Shanghai (34.8%). Since the children and teenage groups were not included in the surveys, we could not assess the smoking trends among youths. Furthermore, since the smoking behavior was self-reported, the smoking prevalence could be underestimated due to reporting bias. Conclusions In this study, we observed that the smoking prevalence has decreased steadily in recent decades in China, but there were diverging trends between urban and rural areas, especially among men born after 1980. Future tobacco control strategies should target rural young men, regions with high tobacco production, and patients suffering from chronic diseases.
COR388 (atuzaginstat): an investigational gingipain inhibitor for the treatment of Alzheimer disease

ABSTRACT Introduction Evidence from in vitro and in vivo studies demonstrates that amyloid beta (Aβ) oligomers have potent, broad-spectrum antimicrobial properties created by fibrils that entrap pathogens and disrupt their membranes. Data suggest that Aβ may play a protective role in the innate immune response to microbial infections and that Aβ in the brain plays a damaging role when the inflammatory response is not well controlled. Areas covered This paper describes the relationship between periodontal disease and Alzheimer disease (AD), the role of Porphyromonas gingivalis and its secreted gingipains in AD, and the potential of the gingipain inhibitor atuzaginstat (COR388) to modulate AD neuropathologies. Expert opinion P. gingivalis is opsonized by Aβ42, is capable of entering the brain, and is an accelerant of neuropathologies in rodent models of AD. Thus, in our opinion, this bacteria is highly likely to be a pathogen capable of initiating or precipitating the progression of AD, which agrees with the pathogen hypothesis of clinical AD development.
Upregulated expression of substance P and NK1R in blood monocytes and B cells of patients with allergic rhinitis and asthma

Abstract Increased expression of substance P (SP) and neurokinin-1 receptor (NK1R) has been noticed in patients with allergic rhinitis (AR) and allergic asthma (AA). However, little is known of the expression of SP and NK1R in monocytes and B cells of AR and AA. In the present study, the expression levels of SP and NK1R were determined by flow cytometry and mouse AR and AA models. The results showed that both percentages of SP+ monocytes and SP+ B cells, and mean fluorescence intensity (MFI) of SP in monocytes were elevated in the blood of AA and AR combined with AA (ARA) patients. Similarly, the percentages of NK1R+ monocytes were elevated in the blood of AR, AA, and ARA patients. Allergens Artemisia sieversiana wild allergen extract (ASWE), house dust mite extract (HDME), and Platanus pollen allergen extract (PPE) increased the expression density of SP molecules (determined by MFI) in an individual monocyte of AR patients. HDME and PPE appeared to enhance SP and NK1R expression in the B cells of ARA and AR patients. In the mouse AR and AA models, the percentages of NK1R+ monocytes and B cells were elevated in blood following OVA (ovalbumin) sensitization and challenge. Knocking out the FcεRI molecule completely abolished the OVA-induced upregulation of expression of NK1R in monocytes and B cells of AA mice. In conclusion, upregulated expressions of SP and NK1R may contribute to the pathogenesis of airway allergy.
Culex pipiens distribution in Tunisia: Identification of suitable areas through Random Forest and MaxEnt approaches

Abstract Background Tunisia has experienced several West Nile virus (WNV) outbreaks since 1997. Yet, there is limited information on the spatial distribution of the main WNV mosquito vector Culex pipiens suitability at the national level. Objectives In the present study, our aim was to predict and evaluate the potential and current distribution of Cx. pipiens in Tunisia. Methods To this end, two species distribution models were used, i.e. MaxEnt and Random Forest. Occurrence records for Cx. pipiens were obtained from adult and larvae sampled in Tunisia from 2014 to 2017. Climatic and human factors were used as predictors to model the Cx. pipiens geographical distribution. Mean decrease accuracy and mean decrease Gini indices were calculated to evaluate the importance of the impact of different environmental and human variables on the probability distribution of Cx. pipiens. Results Suitable habitats were mainly distributed next to oases, in the north and eastern part of the country. The most important predictor was the population density in both models. The study found out that the governorates of Monastir, Nabeul, Manouba, Ariana, Bizerte, Gabes, Medenine and Kairouan are at highest epidemic risk. Conclusions The potential distribution of Cx. pipiens coincides geographically with the observed distribution of the disease in humans in Tunisia. Our study has the potential for driving control effort in the fight against West Nile vector in Tunisia.
Short-form adaptive measure of financial toxicity from the Economic Strain and Resilience in Cancer (ENRICh) study: Derivation using modern psychometric techniques

Objectives This study sought to evaluate advanced psychometric properties of the 15-item Economic Strain and Resilience in Cancer (ENRICh) measure of financial toxicity for cancer patients. Methods We surveyed 515 cancer patients in the greater Houston metropolitan area using ENRICh from March 2019 to March 2020. We conducted a series of factor analyses alongside parametric and non-parametric item response theory (IRT) assessments using Mokken analysis and the graded response model (GRM). We utilized parameters derived from the GRM to run a simulated computerized adaptive test (CAT) assessment. Results Among participants, mean age was 58.49 years and 278 (54%) were female. The initial round factor analysis results suggested a one-factor scale structure. Negligible levels of differential item functioning (DIF) were evident between eight items. Three items were removed due to local interdependence (Q3>+0.4). The original 11-point numerical rating scale did not function well, and a new 3-point scoring system was implemented. The final 12-item ENRICh had acceptable fit to the GRM (p<0.001; TLI = 0.94; CFI = 0.95; RMSEA = 0.09; RMSR = 0.06) as well as good scalability and dimensionality. We observed high correlation between CAT version scores and the 12-item measure (r = 0.98). During CAT, items 2 (money you owe) and 4 (stress level about finances) were most frequently administered, followed by items 1 (money in savings) and 5 (ability to pay bills). Scores from these four items alone were strongly correlated with that of the 12-item ENRICh (r = 0.96). Conclusion These CAT and 4-item versions provide options for quick screening in clinical practice and low-burden assessment in research.
Acute Arterial Ischemic Stroke Following COVID-19 Vaccination

Background and Objectives Acute arterial ischemic stroke (AIS) has been reported as a rare adverse event following coronavirus disease 2019 (COVID-19) vaccination with messenger RNA (mRNA) or viral vector vaccines. However, data are sparse regarding the risk of postvaccination AIS and its potential association with thrombotic-thrombocytopenia syndrome (TTS). Methods A systematic review and meta-analysis of randomized controlled clinical trials (RCTs), pharmacovigilance registries, registry-based studies, observational cohorts, and case-series was performed with the aim to calculate the following: (1) the pooled proportion of patients presenting with AIS following COVID-19 vaccination; (2) the prevalence of AIS after mRNA and vector-based vaccination; and (3) the proportion of TTS among postvaccination AIS cases. Patient characteristics were assessed as secondary outcomes. Results Two RCTs, 3 cohort studies, and 11 registry-based studies comprising 17,481 AIS cases among 782,989,363 COVID-19 vaccinations were included in the meta-analysis. The pooled proportion of AIS following exposure to any COVID-19 vaccine type was 4.7 cases per 100,000 vaccinations (95% CI 2.2–8.1; I2 = 99.9%). The pooled proportion of AIS following mRNA vaccination (9.2 cases per 100,000 vaccinations; 95% CI 2.5–19.3; I2 = 99.9%) did not differ compared with adenovirus-based vaccination (2.9 cases per 100,000 vaccinations; 95% CI 0.3–7.8; I2 = 99.9%). No differences regarding demographics were disclosed between patients with AIS following mRNA-based or vector-based vaccination. The pooled proportion of TTS among postvaccination AIS cases was 3.1% (95% CI 0.7%–7.2%; I2 = 78.8%). Discussion The pooled proportion of AIS following COVID-19 vaccination is comparable with the prevalence of AIS in the general population and much lower than the AIS prevalence among severe acute respiratory syndrome coronavirus 2–infected patients. TTS is very uncommonly reported in patients with AIS following COVID-19 vaccination.
The effect of breathing exercise on daytime sleepiness and fatigue among patients with obstructive sleep apnea syndrome

This study was conducted with randomized controlled and experimental design to examine the effect of breathing exercise on daytime sleepiness and fatigue on patients with obstructive sleep apnea syndrome. The first application was performed by teaching patients in the intervention group breathing exercises including diaphragmatic and pursed lip breathing via the face-to-face interview technique. Then, the researcher applied breathing exercises in the same patient group every morning/evening for 10–15 min and a total of 20–30 min for eight weeks via the online interview method. The data were collected via a questionnaire, Epworth sleepiness scale (ESS), and Piper Fatigue Scale (PFS). Chi-square, Student’s t, Mann Whitney U, paired sample t-test, analysis of variance (ANOVA) and generalized estimating equations were used to assess the data. It was determined that PFS total mean score of the intervention group which was 6.15 ± 1.65 before the application decreased to 5.34 ± 1.94 in the eighth week (p > 0.05) and PFS total mean score of the control group which was 5.59 ± 1.76 before the application increased to 5.77 ± 1.81 in the eighth week (p > 0.05). ESS total mean score of the intervention group which was 12.13 ± 4.34 at the baseline decreased to 9.13 ± 4.71 in the eighth week (p > 0.05) and ESS total mean score of the control group which was 10.37 ± 2.77 at the baseline increased to 10.5 ± 2.85 in the eighth week (p > 0.05). It was concluded that breathing exercise performed in the intervention group decreased the fatigue and daytime sleepiness mean scores of the patients at the end of the fourth and eighth week. In addition, the group-time interaction was significant, which was associated with the intervention group.
Impact of unilateral hearing loss in early development

Purpose of review The purpose of this review is to provide an update on current literature as it relates to the impact of unilateral hearing loss for the pediatric population. Recent findings Current studies further corroborate past research findings which reveal the potential consequences of unilateral hearing loss on spatial hearing, language, and neurocognitive functioning. Deficits among children with unilateral hearing loss may parallel those seen in children with bilateral hearing loss, further challenging historic views that hearing in one ear in childhood is sufficient for normal development. The potential deficiencies seen in children with unilateral hearing loss can be subtler than those seen with bilateral hearing loss, but may nonetheless also impact school performance, patient fatigue, parental stress, and quality of life. Early interventions within a sensitive period of development of the central auditory system may circumvent potential barriers in cognitive, academic, and psychosocial development. Summary This review synthesizes the latest research on the impact of unilateral hearing loss in childhood and the role for possible interventions. The summarized information may serve to support the development of new guidelines for the evaluation and treatment of children with unilateral hearing loss.
A randomized crossover trial assessing time of day snack consumption and resulting postprandial glycemic response in a real-life setting among healthy adults

ABSTRACT The postprandial glycemic response is an important metabolic health factor, which, from laboratory studies, is known to change from low to high over the course of the day, and from which negative health outcomes have been linked to nightly eating. We applied interstitial continuous glucose monitoring to examine the glycemic response to a standardized carbohydrate-rich snack (198 kcal) across the day in a real-life setting. Twenty-four healthy participants (12 men, 12 women, 27–61 y old) consumed the snack nine times during 6 d in a crossover design, altering the time of consumption between morning, afternoon and evening. The snack was consumed in the participant’s own environment with a preceding fast of at least 2.5 h between their customary main meals and practices. Linear mixed models were used with fixed effect of timing, and participant as random effect, to assess incremental area under the curve, peak value and time-to-peak of the glycemic response. Overall, the highest glycemic excursions were observed in the morning, while a more dampened but prolonged response was observed in the evening. These findings do not concur with previously published laboratory studies. This implies that results obtained under controlled experimental conditions in laboratories cannot be generalized directly to predict chrononutritional effects on the glycemic response in healthy individuals and their daily routines.
A functional polymorphism in the poly(ADP-ribose) polymerase-1 gene increases the risk of endometrial carcinoma

Abstract The aim of this study was to investigate the effects of two functional genetic polymorphisms in the poly(ADP-ribose) polymerase-1 (PARP-1) gene on the risk of endometrial carcinoma (EC). Genotypes of the rs1136410 and rs8679 polymorphisms were determined by polymerase chain reaction and ligase detection reaction in 327 EC patients and 329 controls. The results showed that there were significant differences in the genotype distributions of rs1136410 between cases and controls. Women carrying the rs1136410 CC genotype had a significantly increased risk of EC compared to those with the rs1136410 TT genotype (OR = 1.73, 95% CI = 1.10–2.72, p = .018). After adjustment for clinical characteristics, the rs1136410 CC genotype still significantly increased the risk of EC (adjusted OR = 1.83, 95% CI = 1.09–3.07, p = .021). However, no significant difference was observed in the genotype frequencies of rs8679 between cases and controls. This study indicated that rs1136410 was related to the risk of developing EC, and the CC genotype of rs1136410 may be a risk factor for EC in the northern Chinese population. IMPACT STATEMENT What is already known on this subject? Genetic variations in the PARP-1 gene may affect protein function and hence reduce DNA repair capacity, leading to the accumulation of DNA damage and a subsequent increased probability of tumorigenesis. Previous studies have shown that polymorphisms of the PARP-1 gene are associated with the risk of various carcinomas, including breast cancer, lung cancer, thyroid cancer, colorectal cancer, and oral squamous cell carcinoma. What do the results of this study add? Our results suggest that the rs1136410 polymorphism of PARP-1 was related to the risk of developing endometrial carcinoma, and the CC genotype of rs1136410 may be a risk factor for endometrial carcinoma in the northern Chinese population. What are the implications of these findings for clinical practice and/or further research? The new genetic marker may help to identify genetic basis of endometrial carcinoma, and develop gene-targeted therapies for endometrial carcinoma.
Angioarchitectural Analysis of Arteriovenous Shunts in Dural Arteriovenous Fistulas and Its Clinical Implications

BACKGROUND: Detailed understanding of the angioarchitecture of arteriovenous shunts in dural arteriovenous fistulas (DAVFs) is essential when planning endovascular treatment. OBJECTIVE: To analyze shunt patterns and their clinical implications in transverse-sigmoid sinus and superior sagittal sinus DAVFs. METHODS: A total of 48 DAVFs treated with endovascular embolization between January 2010 and June 2021 were investigated. The preprocedural and intraprocedural digital subtraction angiograms were examined to characterize the shunt patterns of DAVFs in terms of anatomic relations to the sinuses and cortical veins. Treatment characteristics and outcomes were evaluated. RESULTS: The shunt patterns were categorized into 4 types: the direct sinus fistula (n = 8/48, 16.7%), compartmental sinus channel (n = 14/48, 29.1%), mural channel (n = 13/48, 27.1%), and bridging vein shunt (n = 13/48, 27.1%). Mural channel lesions revealed direct (n = 4/13, 30.8%) and indirect (n = 6/13, 46.2%) cortical venous connections. Multiple shunt types were seen in 7 patients. Overall, complete or near-complete occlusion was achieved in 43 patients (89.6%) after the final embolization. Patients with mural channels received the most embolization sessions (1.4 sessions per patient). Procedural venous drainage-related complications occurred in patients with multiple shunt types including mural channel shunts (n = 3). All bridging vein shunts were completely occluded during a single transarterial embolization session. CONCLUSION: The 4 shunt patterns of DAVFs demonstrate distinct characteristics for the fistula, sinus and cortical vein connection. Meticulous analysis of the angioarchitectural characteristics and clinical implications is warranted for safe and effective treatment.
Two complementary features of humoral immune memory confer protection against the same or variant antigens

Significance We study an important question in immunology: How is B cell–mediated immune memory recalled upon reexposure to the same or variant antigens? We find that, upon reexposure to the same antigen, high-affinity memory B cells are selectively expanded outside germinal centers (GCs) to quickly provide the best protection possible. Memory B cells also enter GCs and over time produce the highest-affinity antibodies, but GCs also generate diverse B cells, some with low antigen affinity. Upon exposure to a variant antigen, these low-affinity clones can exhibit high affinity for the variant. These clones are expanded rapidly outside the GC to confer immediate protection. Over longer times, secondary GCs produce high-affinity clones tailored for the variant antigen.