bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating the effects of vaccine on COVID-19 disease propagation using a Bayesian approach
Authors: Ling Lu , Ukkusuri Satish V. 
Published: August 2023

AbstractThe causal impact of COVID-19 vaccine coverage on effective reproduction number R(t) under the disease control measures in the real-world scenario is understudied, making the optimal reopening strategy (e.g., when and which control measures are supposed to be conducted) during the recovery phase difficult to design. In this study, we examine the demographic heterogeneity and time variation of the vaccine effect on disease propagation based on the Bayesian structural time series analysis. Furthermore, we explore the role of non-pharmaceutical interventions (NPIs) and the entrance of the Delta variant of COVID-19 in the vaccine effect for U.S. counties. The analysis highlights several important findings: First, vaccine effects vary among the age-specific population and population densities. The vaccine effect for areas with high population density or core airport hubs is 2 times higher than for areas with low population density. Besides, areas with more older people need a high vaccine coverage to help them against the more contagious variants (e.g., the Delta variant). Second, the business restriction policy and mask requirement are more effective in preventing COVID-19 infections than other NPI measures (e.g., bar closure, gather ban, and restaurant restrictions) for areas with high population density and core airport hubs. Furthermore, the mask requirement consistently amplifies the vaccine effects against disease propagation after the presence of contagious variants. Third, areas with a high percentage of older people are suggested to postpone relaxing the restaurant restriction or gather ban since they amplify the vaccine effect against disease infections. Such empirical insights assist recovery phases of the pandemic in designing more efficient reopening strategies, vaccine prioritization, and allocation policies.
Ni2+ and Cu2+ complexes of N-(2,6-dichlorophenyl)-N-mesityl formamidine dithiocarbamate structural and functional properties as CYP3A4 potential substrates
Authors: Oladipo Segun D. , Zamisa Sizwe J. , Badeji Abosede A. , Ejalonibu Murtala A. , Adeleke Adesola A. , Lawal Isiaka A. , Henni Amr , Lawal Monsurat M. 
Published: August 2023

AbstractMetal compounds continued to attract diverse applications due to their malleability in several capacities. In this study, we present our findings on the crystal structures and functional properties of Ni2+ and Cu2+ complexes of N'-(2,6-dichlorophenyl)-N-mesitylformamidine dithiocarbamate (L) comprising [Ni-(L)2] (1) and [Cu-(L)2] (2) with a four-coordinate metal center. We established the two complex structures through 1H and 13C nuclear magnetic resonance (NMR), elemental, and single-crystal X-ray analysis. The analyses showed that the two complexes are isomorphous, having P21/c as a space group and a unit-cell similarity index (π) of 0.002. The two complexes conform to a distorted square planar geometry around the metal centers. The calculated and experimental data, including bond lengths, angles, and NMR values, are similar. Hirshfeld surface analysis revealed the variational contribution of the different types of intermolecular contacts driven by the crystal lattice of the two solvated complexes. Our knowledge of the potential biological implication of these structures enabled us to probe the compounds as prospective CYP3A4 inhibitors. This approach mimics current trends in pharmaceutical design and biomedicine by incorporating potentially active molecules into various media to predict their biological efficacies. The simulations show appreciable binding of compounds 1 and 2 to CYP3A4 with average interaction energies of –97 and –87 kcal/mol, respectively. The protein attains at least five conformational states in the three studied models using a Gaussian Mixture Model-based clustering and free energy prediction. Electric field analysis shows the crucial residues to substrate binding at the active site, enabling CYP3A4 structure to function prediction. The predicted inhibition with these Ni2+ and Cu2+ complexes indicates that CYP3A4 overexpression in a diseased state like cancer would reduce, thereby increasing the chemotherapeutic compounds' shelf-lives for adsorption. This multidimensional study addresses various aspects of molecular metal electronics, including their application as substrate-mimicking inhibitors. The outcome would enable further research on bio-metal compounds of critical potential.
Improvement in OCD symptoms associated with serotoninergic psychedelics: a retrospective online survey
Authors: Buot Anne , Pallares Cecile , Oganesyan Alina , Dauré Charles , Bonnelle Valérie , Burguière Eric , Dos Santos Joao Flores Alves , N’Diaye Karim , Ljuslin Michael , Smith Pauline , Verroust Vincent , Wyplosz Benjamin , Morgiève Margot , Mallet Luc 
Published: August 2023

AbstractA renewed interest in the use of psychedelics for treating obsessive compulsive disorder (OCD) has emerged in the last 20 years. But pre-clinical and clinical evidence remain scarce, and little is known about the factor determining the magnitude and persistence of the therapeutic effect. We therefore designed a retrospective online survey to explore, in the general population using psychoactive drugs, their impact on OCD symptoms. We also assessed the attitude of the participants towards the substance in term of frequency of intakes. In a sample of 174 participants, classic psychedelics were reported as the only substances effective at reducing OCD symptoms. In classic psychedelics users, symptoms reduction was associated with the intensity of acute effects, itself correlated to the dose. Reports on the persistence of the therapeutic effect varied from weeks to months, but we could not find any predicting factor. Finally, the occurrence and frequency of subsequent intakes, which seemed to be limited in our sample, were predicted by the magnitude and persistence of the therapeutic effect, respectively. Our observations support the hypothesis of classic psychedelics efficacy in reducing OCD symptoms but a careful evaluation of the persistence of this effect is still needed.
Strength prediction model of fractured dolomite and analysis of mechanical properties based on PFC3D
Authors: Chen Yi , Rao Junying , Zhao Changjie , Xue Yanghao , Liu Chang , Yin Quan 
Published: August 2023

AbstractTo investigate the mechanical properties of fractured dolomite, this study analyzed the fracture characteristics (dip angle, length, position, quantity) using the Pearson coefficient and MIC coefficient. Subsequently, the data pertaining to fracture characteristics is preprocessed using a third-degree polynomial, and a three-classification strategy is implemented to improve the logistic regression algorithm to establish the strength prediction model of fractured dolomite. Furthermore, the significance order of the impact of fracture characteristics on rock strength was determined using the numerical simulation software PFC3D, and the dip angle effect was explained from the perspective of internal fracture propagation within the rock. The results show that: (1) When the regularization coefficient λ = 10,000, the algorithm has the highest prediction accuracy and the strongest model generalization ability. (2) The numerical simulation analysis software PFC3D can accurately invert rock failure process and characteristics, and the order of influence of fracture characteristics on rock strength is dip angle > length > position.
Vision-related quality of life in patients treated for ocular syphilis
Authors: Silva Milena Simões F. , Arantes Tiago E. , Moreto Renata , Smith Justine R. , Furtado João M. 
Published: August 2023

AbstractMultiple studies have showed negative impact of non-infectious uveitis on quality of life (QoL). Less is understood regarding life experiences in patients with infectious uveitis. We investigated vision-related QoL in individuals who had recovered from ocular syphilis. 32 adults treated for ocular syphilis at a uveitis service in Brazil completed the 25-item National Eye Institute Visual Function Questionnaire (NEI VFQ-25), and a comprehensive ophthalmic examination was performed. Medical records were reviewed to confirm resolution of ocular inflammation for 3 months pre-enrolment, and collect clinical data. The NEI VFQ-25 composite score was low overall (75.5 ± 19.8, mean ± standard deviation), and subscale scores varied from relative lows of 59.1 ± 39.6 (driving) and 60.9 ± 24.5 (mental health), to relative highs of 84.8 ± 21.8 (ocular) and 89.1 ± 21.0 (color vision). Adults aged over 40 years and those with a final visual acuity of 20/50 or worse had significantly lower mean composite and subscale scores. Other clinical characteristics—including gender, HIV co-infection, and type of uveitis—did not significantly influence scores. Our findings, taken in context with previous observations that prompt recognition achieves better vision outcomes, suggest early treatment may improve QoL after recovery from ocular syphilis.
Decreased adhesion to endothelium leads to elevated neutrophil granulocyte count in hereditary angioedema patients
Authors: Kajdácsi Erika , Balla Zsuzsanna , Pólai Zsófia , Cervenak László , Farkas Henriette 
Published: August 2023

AbstractAs many aspects of hereditary angioedema (HAE) due to C1-inhibitor (C1-INH) deficiency (C1-INH-HAE) cannot be explained with elevated bradykinin level alone, it has recently become clear that other factors also play an important role in the pathogenesis. One of these factors could be elevated neutrophil granulocyte (NG) counts, which are associated with increased NG activation in C1-INH-HAE patients; however, their origin has not been elucidated so far. Here, we aimed to investigate whether the excess of NGs is due to disturbed maturation, biased circulating/marginated pool equilibrium or decreased elimination. We enrolled 20 attack-free C1-INH-HAE patients together with 21 healthy controls and collected blood samples. We compared cell surface maturation markers, adhesion molecules, cytokine receptors, and Ca2+-mobilization of NG by flow cytometry, activation markers by ELISA, and NG/endothelial cell adhesion by automated pipetting system. Cell-surface markers showed normal maturation of NGs in C1-INH-HAE patients. Adhesion of NGs to endothelial cells pretreated with lipopolysaccharide or phorbol 12-myristate 13-acetate was significantly weaker in samples from C1-INH-HAE patients and bradykinin had no effect on the adhesion. NGs from C1-INH-HAE patients were in an activated state when assessed by soluble activation markers without any stimulation. Our data support that the maturation of NGs in C1-INH-HAE patients is normal, whereas adhesion properties of patient-derived NGs to the endothelium are reduced compared to those from healthy controls, indicating a bias between the circulating and marginated pools of NGs in patients. Bradykinin may not be responsible for reduced adhesion properties of NGs.
Mueller matrix polarization parameters correlate with local recurrence in patients with stage III colorectal cancer
Authors: Tumanova Kseniia , Serra Stefano , Majumdar Anamitra , Lad Jigar , Quereshy Fayez , Khorasani Mohammadali , Vitkin Alex 
Published: August 2023

AbstractThe peri-tumoural stroma has been explored as a useful source of prognostic information in colorectal cancer. Using Mueller matrix (MM) polarized light microscopy for quantification of unstained histology slides, the current study assesses the prognostic potential of polarimetric characteristics of peri-tumoural collagenous stroma architecture in 38 human stage III colorectal cancer (CRC) patient samples. Specifically, Mueller matrix transformation and polar decomposition parameters were tested for association with 5-year patient local recurrence outcomes. The results show that some of these polarimetric parameters were significantly different (p value < 0.05) for the recurrence versus the no-recurrence patient cohorts (Mann–Whitney U test). MM parameters may thus be prognostically valuable towards improving clinical management/treatment stratification in CRC patients.
Catalytic hydrocracking of jatropha oil over natural clay for bio-jet fuel production
Authors: Hassan S. H. , Attia N. K. , El Diwani G. I. , Amin Sh. K. , Ettouney R. S. , El-Rifai M. A. 
Published: August 2023

AbstractCurrently, the conversion of biomass to produce high-valued biofuels such as biodiesel and bio-jet fuel has attached booming interests, when used for partial replacement of petroleum fuels in different ratios is a promising solution due to the problem of depleting petroleum reserves and environmental purposes. Non-edible Jatropha oil can be transformed to biofuel when subjected to were hydrocracking at hydrogen pressure using an activated natural clay as a catalyst in a high pressure batch reactor. The type of product and its quality and quantity depend on the process conditions such as reaction time, temperature, and catalyst type, form, and amount. The present work aims to study the hydrocracking process of Jatropha oil at different operating conditions. The catalyst is characterized using SEM, FTIR, XRF, and XRD. The effect of process conditions variation have been studied and discussed. The results showed the highest yield of 40% bio-jet fuel was achieved at a temperature of 350 °C, H2 pressure of 4 bar, and reaction time of 18 min. the bio-jet fuel products were tested and their specifications were conformed to ASTM D1655 specifications, viz the freezing point (−56 °C), the flash point (53 °C), and existent gum content (5.9 mg/100 ml).
Optogenetic stimulation probes with single-neuron resolution based on organic LEDs monolithically integrated on CMOS
Authors: Taal Adriaan J. , Uguz Ilke , Hillebrandt Sabina , Moon Chang-Ki , Andino-Pavlovsky Victoria , Choi Jaebin , Keum Changmin , Deisseroth Karl , Gather Malte C. , Shepard Kenneth L. 
Published: August 2023

AbstractThe use of optogenetic stimulation to evoke neuronal activity in targeted neural populations—enabled by opsins with fast kinetics, high sensitivity and cell-type and subcellular specificity—is a powerful tool in neuroscience. However, to interface with the opsins, deep-brain light delivery systems are required that match the scale of the spatial and temporal control offered by the molecular actuators. Here we show that organic light-emitting diodes can be combined with complementary metal–oxide–semiconductor technology to create bright, actively multiplexed emissive elements. We create implantable shanks in which 1,024 individually addressable organic light-emitting diode pixels with a 24.5 µm pitch are integrated with active complementary metal–oxide–semiconductor drive and control circuitry. This integration is enabled by controlled electrode conditioning, monolithic deposition of the organic light-emitting diodes and optimized thin-film encapsulation. The resulting probes can be used to access brain regions as deep as 5 mm and selectively activate individual neurons with millisecond-level precision in mice.
Atomic-scale surface restructuring of copper electrodes under CO2 electroreduction conditions
Authors: Amirbeigiarab Reihaneh , Tian Jing , Herzog Antonia , Qiu Canrong , Bergmann Arno , Roldan Cuenya Beatriz , Magnussen Olaf M. 
Published: August 2023

AbstractPotentiodynamic methods that induce structural changes in Cu catalysts for the electrochemical reduction of CO2 (CO2RR) have been identified as a promising strategy for steering the catalyst selectivity towards the generation of multi-carbon products. In current approaches, active species are created via a sequential Cu oxidation–reduction process. Here we show by in situ scanning tunnelling microscopy, surface X-ray diffraction and Raman spectroscopy measurements that low-coordinated Cu surface species form spontaneously near the onset of CO2 electrocatalytic reduction. This process starts by CO-induced Cu nanocluster formation in the initial stages of the reaction, leading to irreversible surface restructuring that persists over a wide potential range. On subsequent potential increase, the nanoclusters disperse into Cu adatoms, which stabilize reaction intermediates on the surface. The observed self-induced formation of undercoordinated sites on the CO2-converting Cu catalyst surface can account for its reactivity and may be exploited to (re)generate active CO2RR sites by potentiodynamic protocols.
Liraglutide restores impaired associative learning in individuals with obesity
Authors: Hanssen Ruth , Rigoux Lionel , Kuzmanovic Bojana , Iglesias Sandra , Kretschmer Alina C. , Schlamann Marc , Albus Kerstin , Edwin Thanarajah Sharmili , Sitnikow Tamara , Melzer Corina , Cornely Oliver A. , Brüning Jens C. , Tittgemeyer Marc 
Published: August 2023

AbstractSurvival under selective pressure is driven by the ability of our brain to use sensory information to our advantage to control physiological needs. To that end, neural circuits receive and integrate external environmental cues and internal metabolic signals to form learned sensory associations, consequently motivating and adapting our behaviour. The dopaminergic midbrain plays a crucial role in learning adaptive behaviour and is particularly sensitive to peripheral metabolic signals, including intestinal peptides, such as glucagon-like peptide 1 (GLP-1). In a single-blinded, randomized, controlled, crossover basic human functional magnetic resonance imaging study relying on a computational model of the adaptive learning process underlying behavioural responses, we show that adaptive learning is reduced when metabolic sensing is impaired in obesity, as indexed by reduced insulin sensitivity (participants: N = 30 with normal insulin sensitivity; N = 24 with impaired insulin sensitivity). Treatment with the GLP-1 receptor agonist liraglutide normalizes impaired learning of sensory associations in men and women with obesity. Collectively, our findings reveal that GLP-1 receptor activation modulates associative learning in people with obesity via its central effects within the mesoaccumbens pathway. These findings provide evidence for how metabolic signals can act as neuromodulators to adapt our behaviour to our body’s internal state and how GLP-1 receptor agonists work in clinics.
Story Generation and Narrative Retells in Children Who Are Hard of Hearing and Hearing Children
Authors: Walker Elizabeth A. , Harrison Melody , Baumann Rachel , Moeller Mary Pat , Sorensen Eldon , Oleson Jacob J. , McCreery Ryan W. 
Published: August 2023

Purpose:
The primary goal for this study was to compare story generation and narrative retell performance in children who are hard of hearing (CHH) and hearing children. A secondary goal was to determine factors that influence narrative performance. Research on this topic is important because narrative language competency is an essential communication function.

Method:
Participants included 86 CHH and 53 seven-year-old hearing children who had completed a test battery composed of vocabulary, grammar, phonological processing, story generation, and narrative retell tasks. Coders who were blind to hearing status used a scoring rubric to judge the quality of narrative macrostructure in story generation and narrative retells. Data were analyzed using analysis of variance to determine group differences and correlational models to examine individual differences.

Results:
At 7 years of age, CHH demonstrated significant deficits in narrative macrostructure compared to hearing children, with larger delays in narrative retell than story generation. Vocabulary, grammar, and phonological memory acted as mediators in the relationship between hearing status and story generation; grammar acted as a mediator between hearing status and narrative retell. Auditory access variables accounted for a significant proportion of shared variance in story generation skills for CHH.

Conclusions:
School-age CHH are at risk for delays in narrative production, particularly with retelling stories. The results of this study highlight a narrative coding approach and task procedures that are sensitive to differences in language levels and may be clinically useful for professionals working with early school-age children.
The Utility of the Dynamic Indicators of Basic Early Literacy Skills as a Literacy Screener for Children Who Are Deaf or Hard of Hearing
Authors: Burke Diana , Cooper Ellie , Werfel Krystal L. 
Published: August 2023

Purpose:
The purpose of this study was to (a) compare outcomes between children who are deaf or hard of hearing (DHH) and children with typical hearing (CTH) on the Dynamic Indicators of Basic Early Literacy Skills (DIBELS), Eighth Edition assessment and (b) compare outcomes of children who are DHH on the DIBELS to other standardized literacy assessments.

Method:

Participants included 19 children who are DHH and 19 CTH in kindergarten or first grade. All participants who are DHH had bilateral hearing loss and used listening technology. The participants completed timed and untimed standardized literacy assessments. Data were analyzed using independent-samples
t
test, chi-square analysis, and Pearson correlation analysis.

Results:
Only one of five subtests on the DIBELS, the Oral Reading Fluency subtest, revealed a significant difference in scores between children who are DHH and CTH. Despite this difference, there were no differences in the distribution of risk between the groups. The DIBELS scores of children who are DHH strongly correlated to their scores on other standardized literacy assessments.

Conclusions:
The results indicate that the DIBELS is an adequate measure to screen early literacy skills for children who are DHH. The DHH and CTH groups differ in reading comprehension using a standardized measure; however, the DIBELS does not measure this skill. Further assessments of reading comprehension along with the DIBELS are recommended when assessing these skills in children who are DHH.
A data‐driven method for microgrid bidding optimization in electricity market
Authors: Yan Rudai , Xu Yan 
Published: August 2023

AbstractThis paper presents a deep reinforcement learning based data‐driven solution to the microgrid bidding in the electricity market considering offers for the reserve market. The framework, based on the Markov decision process, models the microgrid's participation in the electricity market at different stages, including bidding, market‐clearing, and reserve activation. The problem is split into two stages: day‐ahead submission and real‐time market period, and the proposed method mainly focus on the first stage. The state information from state‐space models of distributed energy resources serves as input for the policy network. A deep deterministic policy gradient is employed to train the network and produce a deterministic bidding strategy. The second stage can then adjust this strategy based on the results from the first stage. The method is validated with real‐world microgrid systems and data from the Singapore spot market.