Miracle-dz/UniFAR-FTUs huggingface dataset:
The number fraction of iron-containing particles affects OH, HO2 and H2O2 budgets in the atmospheric aqueous phase

Abstract. Reactive oxygen species (ROS), such as OH, HO2, H2O2 affect the oxidation capacity of the atmosphere and cause adverse health effects of particulate matter. The role of transition metal ions (TMIs) in impacting the ROS concentrations and conversions in the atmospheric aqueous phase has been recognized for a long time. Model studies usually assume that the total TMI concentration as measured in bulk aerosol or cloud water samples is distributed equally across all particles or droplets. This assumption is contrary to single-particle measurements that have shown that only a small number fraction of particles contain iron and other TMIs (FN,Fe < 100 %) which implies that also not all cloud droplets contain TMIs. In the current study, we apply a box model with an explicit multiphase chemical mechanism to simulate ROS formation and cycling in (i) aqueous aerosol particles and (ii) cloud droplets. Model simulations are performed for the range of 1 % ≤ FN,Fe ≤ 100 % for constant pH values of 3, 4.5 and 6 and constant total iron concentration (10 or 50 . Model results are compared for two sets of simulations with FN,Fe < 100 % (FeN < 100) and 100 % (FeBulk). We find largest differences between model results in OH and HO2/O2− concentrations at pH = 6. Under these conditions, HO2 is subsaturated in the aqueous phase because of its high effective Henry's law constant and the fast chemical loss reactions of the O2− radical anion. As the main reduction of process of Fe(III) is its reaction with HO2/O2−, we show that the HO2 subsaturation leads to predicted Fe(II)/Fe(total) ratios for FN,Fe < 100 % that are lower by a factor of ≤ 2 as compared to bulk model approaches. This trend is largely independent of the total iron concentration, as both chemical source and sink rates of HO2/O2− scale with the iron concentration. The chemical radical (OH, HO2) loss in particles is usually compensated by its uptake from the gas phase. We compare model-derived reactive uptake parameters γ(OH) and γ(HO2) for the full range of FN,Fe. While γ(OH) is not affected by the iron distribution, the calculated γ(HO2) range from 0.0004 to 0.03 for FN,Fe = 1 % and 100 %, respectively. Implications of these findings are discussed for the application of lab-derived γ(HO2) in models to present reactive HO2 uptake on aerosols. As the oxidant budget in aerosol particles and cloud droplets is related to the oxidative potential, we also conclude that the iron distribution FN,Fe should be taken into account to estimate the ROS concentrations and health impacts of particulate matter that might be overestimated by bulk sampling and model approaches. Our study suggests that the number concentration of iron-containing particles may be more important than the total iron mass concentration in determining ROS budgets and uptake rates in cloud and aerosol water.
Staring Death in the Face: The Financial Impact of Corporate Exposure to Prior Disasters

We examine how firms' exposure to prior disastrous events can influence their stock market footprint during the coronavirus crisis. While others have drawn comparisons between past pandemics and Covid-19, we argue that such comparisons are skewed due to the unprecedented reach and consequences of the latter. To better model the structural shock caused by Covid-19 in the USA, we look at the 9/11 terrorist attacks and specifically examine how firms based in New York City back then reacted to the associated financial turmoil. While 9/11 and Covid-19 are categorically different events, their short-term impacts on the stock market, and on New York exchanges in particular, are surprisingly similar. We find firms that financially 'survived' 9/11 also managed to do better - or suffer less - by about 7% in terms of stock returns during Covid-19, compared to control firms that were not exposed to 9/11. In a sense, we show that companies' prior exposure to 9/11 partly 'immunized' them against the consequences of a similarly destabilizing event, albeit two decades later. Interestingly, the trading volume of exposed firms increased due to market buying pressures. Our analysis is robust to various financial proxies, alternative definitions of control firms and varying estimation windows.
Soliton computing in the Toda Lattice

Most people take the technological revolution from the past two centuries for granted and expect that this revolution will not slow down. In the recent century, a major presence in most people’s lives has become electronic computers in one form or another. A new path for technology innovations needs to be set out if the revolution is to continue at the current pacing. One such promising path are optical computers using solitons as information carriers. Solitons have favourable properties and one under-explored soliton system for its computation capabilities is the Toda lattice, which has been used to model DNA and can be transformed into optical fibre models. By expanding the possible logic gate designs in this lattice, steps are made to bring us closer to realize a fully functional optical computer. In the one-dimensional Toda lattice, it is possible to create a delay in the solitons’ travels that can be controlled. The lattice has been used to create logic gates for computation, however, the delay mechanism has not been incorporated in those designs so far. With this controllable delay, an OR and XOR gate can be designed. The delay for a travelling soliton is created by incorporating a lattice made of harmonic oscillators between two Toda lattices. The duration of the delay can be controlled by changing the time difference of two solitons scattering against the harmonic oscillators. If the duration is too short, there are only reflections, however, when the duration between the two soltions’ scatterings is long enough, transmission is possible. Both presented logic gates apply the controllable delay mechanism. This thesis contains the following contributions, the first investigation of interaction of solitons in impurity, a new XOR and OR gate design, and code for simulating the Toda lattice and the mentioned contributions.
Case series study on voice and transsexuality : acoustic characteristics of Brazilian trans men and women

Objective: To describe the acoustic characteristics in the voice of trans men and women. Method: Six trans subjects, two men and four trans women, aged over 18 years participated in this study. The SoundForge 10.0® software was used to edit and select the vowel /a/, the Advanced Multi-Dimensional Voice Program (MDVP-Adv) for extraction of measurements from computerized acoustic analysis, and the Analysis Synthesis Laboratory program (Computerized Speech Lab Kay Pentax®) for analysis of the vocal filter. Results: Formant values were lower when compared to national and international literature. The measures of f0 presented values below that expected for the female gender and increased to the *Universidade Federal do Rio de Janeiro UFRJ – Rio de Janeiro (RJ), Brazil. **Universidade Federal de Sergipe – UFS – Lagarto (SE), Brazil. ***Universidade de São Paulo – USP – Ribeirão Preto (SP), Brazil. Authors’ contributions: RD: contibuted in the orientation of the study and original idea. MQ: collected the data and wrote all the steps of the study. AFB: participated in the data analysis and final review of the study. AP: contributed in the orientation of the study and in the analysis of the data. Correspondence email address: Aline Ferreira de Brito alinebrito.fono@gmail.com Received: 07/24/2020 Accepted: 11/12/2020 Distúrb Comun, São Paulo, 33(2): 257-264, junho, 2021 Rodrigo Dornelas, Mariana Queiroz, Aline Ferreira de Brito, Ariane Pellicani https://doi.org/10.23925/2176-2724.2021v33i2p257-264
Post-stroke seizures : review

There is a tendency towards growing number of strokes in aging population. One of the most significant complications of stroke is post-stroke seizures (PSS), which cause nearly 11 % of all cases of epilepsy. The most important risk factors of seizures after stroke are severity of the stroke, involvement of the cortex and intracerebral hemorrhage. There are two mains forms of PSS — earlyand late-onset seizures. The pathogenesis of early-onset seizures is mainly due to cytotoxic and metabolic changes in the ischemic focus in contrast to late-onset seizures, which mostly occur as a result of persistent changes in nervous system excitability. There are following types of seizures in adult patients with post-stroke complications: simple partial, generalized tonic-clonic and generalized seizures. Evaluation of electroencephalography and computed tomography results is an important diagnostic tool of the first line. At the same time, brain magnetic resonance imaging and magnetic resonance angiography are the more preferable methods of neuroimaging due to their more informative grade in detecting cortical malformations, small lesions and cavernomas. Pharmacological management of PSS is traditionally divided into two main categories: prophylactic and symptomatic treatment. Prophylactic antiepileptic treatment in stroke patients, including those with intracerebral haemorrhage to prevent an attack, is not recommended by the American Heart Association and European Stroke Organisation guidelines. Some authors indicate that diuretics, in particular thiazides and furosemide, may be protective, reducing the risk of seizures. Carbamazepine, sodium valproate, lamotrigine, oxcarbazepine or gabapentin are the most used symptomatic drugs recommended as a first-line treatment.
On the evolution of sub- and super-saturated water uptake of secondary organic aerosol in chamber experiments from mixed precursors

Abstract. To better understand the chemical controls of sub- and super-saturated aerosol water uptake, we designed and conducted a series of chamber experiments to investigate the evolution of aerosol physicochemical properties during SOA formation from the photochemistry of single or mixed biogenic (α-pinene, isoprene) and anthropogenic (o-cresol) volatile organic compounds (VOCs) in the presence of ammonium sulphate seeds. During the six-hour experiments, the cloud condensation nuclei (CCN) activity at super-saturation of water (0.1 ~ 0.5 %), hygroscopic growth factor at 90 % RH, and non-refractory PM1 chemical composition were recorded concurrently. The hygroscopicity parameter κ was used to represent water uptake ability below and above water saturation, and the κ-Kӧhler approach was implemented to predict the CCN activity from the sub-saturated hygroscopicity. The sub- and super-saturated water uptake (in terms of κHTDMA and κCCN) were mainly controlled by the SOA mass fraction which depended on the SOA production rate of the precursors, and the SOA composition played a second-order role. For the reconciliation of κHTDMA and κCCN, the κHTDMA / κCCN ratio increased with the SOA mass fraction and this was observed in all investigated single and mixed VOC systems, independent of initial VOC concentrations and sources. For all VOC systems, the mean κHTDMA of aerosol particles was ~ 25 % lower than the κCCN at the beginning of the experiments with inorganic seeds. With the increase of condensed SOA on seed particles throughout the experiments, the discrepancy of κHTDMA and κCCN became weaker (down to ~ 0 %) and finally the mean κHTDMA was ~ 60 % higher than κCCN on average when the SOA mass fraction approached ~ 0.8. This is possibly attributable to the non-ideality of solutes at different RH or the different co-condensation of condensable organic vapours within the two instruments. As a result, the predicted CCN number concentrations from the κHTDMA and particle number size distribution were ~ 10 % lower than CCN counter measurement on average at the beginning, and further even turned to an overestimation of ~ 20 % on average when the SOA mass fraction was ~ 0.8. This chemical composition-dependent performances of κ-Kӧhler approach on CCN prediction can introduce a variable uncertainty in predicting cloud droplet numbers from the sub-saturated water uptake.
Prediction of calorific values, moisture, ash, carbon, nitrogen, and sulfur content of pine tree biomass using near infrared spectroscopy

Loblolly (Pinus taeda) and slash (Pinus elliottii) pine tree biomass are significant renewable energy resources for bioenergy industries in the Southeastern United States. There is a great need for evaluation of their properties (relevant to production and evaluation-screening for bioenergy extraction) by rapid but accurate analytical methods like near infrared reflectance (NIR) spectroscopy. However, no attempts have been made so far to develop useful NIR spectroscopic calibration models for analyzing biomass of these two species. In this study, acceptable NIR spectroscopic calibration models were developed for: gross calorific value, GCV (n = 181; R2 = 0.83; ratio of standard error of cross-validation to deviation, RSCD = 2.32; ratio of standard error of cross-validation to inter-quartile distance, RSCIQ = 2.68); net calorific value, NCV (n = 184; R2 = 0.83; RSCD = 2.31; RSCIQ = 2.69); ash-free calorific value, AFCV (n = 184; R2 = 0.83; RSCD = 2.24; RSCIQ = 2.49); moisture (n = 181; R2 = 0.85; RSCD = 2.54; RSCIQ = 2.30); ash (n = 180; R2 = 0.86; RSCD = 2.65; RSCIQ = 2.62); total carbon, C (n = 101; R2 = 0.95; RSCD = 3.01; RSCIQ = 5.66); total nitrogen, N (n = 87; R2 = 0.95; RSCD = 4.24; RSCIQ = 4.76); and total sulfur, S (n = 83; R2 = 0.97; RSCD = 4.17; RSCIQ = 3.05) contents of these biomasses though the calibration models for NCV and AFCV are indirect calibration. Prediction of the independent validation sets yielded good agreement between the NIR spectroscopic predicted values and the laboratory reference values for each of: GCV (n = 92; r2 = 0.89; ratio of performance to deviation; RPD = 3.01; ratio of performance to inter-quartile distance, RPIQ = 3.16); NCV (n = 91; r2 = 0.83; RPD = 2.43; RPIQ = 3.06); AFCV (n = 91; r2 = 0.80; RPD = 2.25; RPIQ = 2.83); moisture (n = 92; r2 = 0.82; RPD = 2.38; RPIQ = 2.40); ash (n = 89; r2 = 0.81; RPD = 2.30; RPIQ = 2.66); C (n = 43; r2 = 0.90; RPD = 3.14; RPIQ = 3.23); N (n = 44; r2 = 0.95; RPD = 4.33; RPIQ = 5.96); and S (n = 42; r2 = 0.93; RPD = 3.67; RPIQ = 3.24) contents, indicating that all eight calibration models had good quantitative information. The standard errors of prediction for all models were less than twice the corresponding standard error of laboratory. Therefore, precise, accurate, and rapid analysis of calorific values and C, N, S contents of these biomasses can be done using these novel NIR spectroscopic calibration models developed.
Schema therapy for borderline personality disorder: A qualitative study of patients#_#x2019; perceptions

Schema therapy (ST) has been found to be effective in the treatment of borderline personality disorder (BPD). However very little is known about how the therapy is experienced by individuals with BPD including which specific elements of ST are helpful or unhelpful from their perspectives. The aim of this study is to explore BPD patients’ experiences of receiving ST, in intensive group or combined group-individual format. Qualitative data were collected through semi-structured interviews with 36 individuals with a primary diagnosis of BPD (78% females) who received ST for at least 12 months. Participants were recruited as part of an international, multicenter randomized controlled trial (RCT). Interview data (11 Australian, 12 Dutch, 13 German) were analyzed following the procedures of qualitative content analysis. Patients’ perceptions of the benefits gained in ST included improved self-understanding, and better awareness and management of their own emotional processes. While some aspects of ST, such as experiential techniques were perceived as emotionally confronting, patient narratives informed that this was necessary. Some recommendations for improved implementation of ST include the necessary adjunct of individual sessions to group ST and early discussion of therapy termination. Implications of the findings are also discussed, in particular the avenues for assessing the suitability of patients for group ST; management of group conflict and the optimal format for delivering treatment in the intensive group versus combined group-individual formats. PLOS ONE | https://doi.org/10.1371/journal.pone. 0206039 November 21, 2018 1 / 20 a1111111111 a1111111111 a1111111111 a1111111111 a1111111111
Analysis of the goals scored in the 2016 and 2017 CONMEBOL Libertadores Cups

ABSTRACT This study aimed to describe regularities in soccer goal-ending sequences in the 2016 and 2017 CONMEBOL Libertadores Cups. Observational methodology was used. The sample comprised 699 attack sequences that ended in goal from 250 games played in 2016 and 2017. An ad hoc observational instrument was designed. Data analysis was performed in three complementary ways: sequential, graph theory, and polar coordinates. Two sequences were highlighted: Pass with the head-Shot-Goal and Rebound-Rebound-Shot-Goal. The foot pass action is the most common prior to a shot. In addition, dribbling and conducting were excitatory and inhibitory actions, respectively, to score a goal. In conclusion, the use of open game was relevant to score goals and different patterns were observed.
CMAR_A_299157 3403..3415

1Medical Center of Ultrasound, Lanzhou University Second Hospital, Lanzhou, Gansu, People’s Republic of China; 2Department of Pathology, Lanzhou University Second Hospital, Lanzhou, Gansu, People’s Republic of China Purpose: Early and accurate preoperative diagnosis of central lymph node metastasis (CLNM) is crucial to improve surgical management of patients with clinical lymph nodenegative papillary thyroid carcinoma (PTC). Towards improving diagnosis of CLNM, we assessed the value of combining preoperative clinical characteristics, conventional ultrasound, and contrast-enhanced ultrasound (CEUS) in preoperative prediction of CLNM of different sized PTCs. Patients and Methods: Patients were divided according to tumor size: a PTC group (>10 mm) and a papillary thyroid microcarcinoma (PTMC) group (≤10 mm). We retrospectively analyzed the clinical and ultrasonographic features of 120 PTC patients and 165 PTMC patients. Multivariate logistic regression analysis was used to screen independent risk factors and establish prediction models. Receiver operating characteristic curves were used to determine the best cut-off values for continuous variables and assess the performance of prediction models. Results: Independent risk predictors of CLNM for the PTC group were extrathyroidal extension in CEUS (OR=7.923), tumor size >14 mm (OR=5.491), and multifocality (OR=3.235). For the PTMC group, the independent risk factors were the distance from the thyroid capsule =0 mm (OR=4.629), male (OR=3.315), tumor size >5 mm (OR=3.304), and microcalcification (OR=2.560). The predictive model of combined method had better performance in predicting CLNM of PTC compared with models based on CEUS and conventional ultrasound alone (area under the curve: 0.832 vs 0.739, P=0.0011; 0.832 vs 0.678, P=0.0012). For PTMC, comparing with CEUS, the combined method and conventional ultrasound performed better than CEUS alone in predicting CLNM (area under the curve: 0.783 vs 0.636, P=0.0016; 0.738 vs 0.636, P=0.0196). Conclusion: The predictive models of combined method obtained from significant preoperative clinical and ultrasonographic features can potentially improve the preoperative diagnosis and individual treatment of CLNM in patients with PTC and PTMC. CEUS may be helpful in predicting CLNM of PTC, but CEUS would be ineffective in predicting CLNM of PTMC.
Supplementary material to "Synergetic effect of NH3 and NOx on the production and optical absorption of secondary organic aerosol formation from toluene photooxidation"

Abstract. NH3 is the most important alkaline gas in the atmosphere and one of the key species affecting the behaviors of atmospheric aerosols. However, the impact of NH3 on secondary organic aerosol (SOA) formation remains poorly understood, especially the dynamic evolution of chemical compositions in the SOA formation process. A series of chamber experiments was performed to probe the individual and common effects of NH3 and NOx on toluene SOA formation through OH-photooxidation. The chemical compositions of toluene SOA were characterized using the Aerodyne high-resolution time-of-flight aerosol mass spectrometer (AMS). From 637 ± 14.6 μg m−3 (control), the SOA mass concentration increased to 867 ± 12.7 μg m−3 in the presence of NH3 and decreased to 452 ± 18.9 μg m−3 in the presence of NOx. However, the highest SOA concentration (1020 ± 10.6 μg m−3) and the lowest carbon oxidation state (OSC) occurred in the presence of both NH3 and NOx, indicating that the higher volatility products that formed in the presence of NOx could precipitate into the particle-phase when NH3 was added. This resulted in a synergetic effect on SOA formation when NH3 and NOx co-existed. The heterogeneous reaction was the main pathway by which NH3 participated in SOA formation in the photooxidation process. The synergetic effect of NH3 and NOx was also observed in SOA optical absorption. A peak at 280 nm, which is characteristic of organonitrogen imidazole compounds, was observed in the presence of NH3 and its intensity increased when NOx was added into the chamber. This work improves our understanding of how the synergistic interactions between NH3 and NOx influence SOA formation and offers new insights into mitigating aerosol pollution that factor in mixed atmospheric conditions.
Atypical Genetic Basis of Pyrazinamide Resistance in Monoresistant <named-content content-type='genus-species'>Mycobacterium tuberculosis</named-content>

Pyrazinamide (PZA) is a widely used antitubercular chemotherapeutic. Typically, PZA resistance (PZA-R) emerges in Mycobacterium tuberculosis strains with existing resistance to isoniazid and rifampin (i.e., multidrug resistance [MDR]) and is conferred by loss-of-function pncA mutations that inhibit conversion to its active form, pyrazinoic acid (POA). PZA-R departing from this canonical scenario is poorly understood. Here, we genotyped pncA and purported alternative PZA-R genes (panD, rpsA, and clpC1) with long-read sequencing of 19 phenotypically PZA-monoresistant isolates collected in Sweden and compared their phylogenetic and genomic characteristics to a large set of MDR PZA-R (MDRPZA-R) isolates. We report the first association of ClpC1 mutations with PZA-R in clinical isolates, in the ClpC1 promoter (clpC1p2138) and the N terminus of ClpC1 (ClpC1Val63Ala). Mutations have emerged in both these regions under POA selection in vitro, and the N-terminal region of ClpC1 has been implicated further, through its POA-dependent efficacy in PanD proteolysis. ClpC1Val63Ala mutants spanned 4 Indo-Oceanic sublineages. Indo-Oceanic isolates invariably harbored ClpC1Val63Ala and were starkly overrepresented (odds ratio [OR] = 22.2, P , 0.00001) among PZA-monoresistant isolates (11/19) compared to MDRPZA-R isolates (5/80). The genetic basis of Indo-Oceanic isolates’ overrepresentation in PZA-monoresistant tuberculosis (TB) remains undetermined, but substantial circumstantial evidence suggests that ClpC1Val63Ala confers low-level PZA resistance. Our findings highlight ClpC1 as potentially clinically relevant for PZA-R and reinforce the importance of genetic background in the trajectory of resistance development.